forcefield              AMOEBA-NUCLEIC-2017

bond-cubic              -2.55
bond-quartic            3.793125
angle-cubic             -0.014
angle-quartic           0.000056
angle-pentic            -0.0000007
angle-sextic            0.000000022
opbendtype              ALLINGER
opbend-cubic            -0.014
opbend-quartic          0.000056
opbend-pentic           -0.0000007
opbend-sextic           0.000000022
torsionunit             0.5
vdwtype                 BUFFERED-14-7
radiusrule              CUBIC-MEAN
radiustype              R-MIN
radiussize              DIAMETER
epsilonrule             HHG
dielectric              1.0
polarization            MUTUAL
vdw-12-scale            0.0
vdw-13-scale            0.0
vdw-14-scale            1.0
vdw-15-scale            1.0
mpole-12-scale          0.0
mpole-13-scale          0.0
mpole-14-scale          0.4
mpole-15-scale          0.8
polar-12-scale          0.0
polar-13-scale          0.0
polar-14-scale          1.0
polar-15-scale          1.0
polar-12-intra          0.0
polar-13-intra          0.0
polar-14-intra          0.5
polar-15-intra          1.0
direct-11-scale         0.0
direct-12-scale         1.0
direct-13-scale         1.0
direct-14-scale         1.0
mutual-11-scale         1.0
mutual-12-scale         1.0
mutual-13-scale         1.0
mutual-14-scale         1.0


angle      3      5     11   41.50  120.00
angle     11      5     11   19.50  120.00
angle     11      5     17   41.50  120.00
angle      1      7      2  128.00  103.47
angle      1      8      6  128.00  110.86
angle      1      8     17  128.00  111.66
angle      3      8      6  128.00  118.67
angle      3      8     14  128.00  120.30
angle      6      8      6  128.00  117.03
angle      6     20     22   61.40  110.61
angle     22     20     22   34.50  109.06
angle     24     23     26   88.25  109.90
angle     23     24     25   54.50  108.50
angle     23     24     26   87.95  105.30
angle     23     24     30   64.50  109.20
angle     25     24     26   38.00  109.25
angle     25     24     30   39.40  108.50
angle     26     24     30   50.50  115.00
angle      4     26     23   49.34  106.60
angle      4     26     25   54.78  106.60
angle      4     26     26   87.95  112.80
angle     12     26     23   49.34  106.60
angle     12     26     25   54.78  106.60
angle     12     26     26   87.95  112.80
angle     18     26     23   49.34  106.60
angle     18     26     25   54.78  106.60
angle     18     26     26   87.95  112.80
angle     21     26     23   49.34  106.60
angle     21     26     25   54.78  106.60
angle     21     26     26   87.95  112.80
angle     23     26     25   54.50  110.62
angle     23     26     26   87.95  106.58
angle     24     26     25   38.00  111.30
angle     24     26     26   60.30  102.10
angle     24     26     29   87.25  109.50
angle     24     26     45   87.25  109.50
angle     25     26     26   38.00  111.65
angle     25     26     27   54.20  109.90
angle     25     26     29   54.20  111.30
angle     25     26     45   54.20  111.30
angle     26     26     26   60.40  101.70
angle     26     26     27   86.54  110.85
angle     26     26     29   87.95  108.25
angle     26     26     45   87.95  108.25
angle     26     27     28   63.26  104.70
angle     26     29     28   64.50  107.65
angle     26     29     42   78.00  110.00
angle     24     30     31   37.35  108.65
angle     24     30     32   75.40  108.30
angle     24     30     44   75.40  108.30
angle     31     30     31   34.20  108.38
angle     31     30     32   51.75  110.80
angle     31     30     44   51.75  110.80
angle     28     32     30   64.50  107.65
angle     30     32     42   78.00  110.00
angle     34     33     35   87.95  105.30
angle     34     33     36   38.00  109.25
angle     34     33     37   50.50  115.00
angle     35     33     36   54.50  108.50
angle     35     33     37   64.50  109.20
angle     36     33     37   39.40  108.50
angle      4     34     34   87.95  112.80
angle      4     34     35   49.34  106.60
angle      4     34     36   54.78  106.60
angle     12     34     34   87.95  112.80
angle     12     34     35   49.34  106.60
angle     12     34     36   54.78  106.60
angle     18     34     34   87.95  112.80
angle     18     34     35   49.34  106.60
angle     18     34     36   54.78  106.60
angle     21     34     34   87.95  112.80
angle     21     34     35   49.34  106.60
angle     21     34     36   54.78  106.60
angle     33     34     34   60.30  102.10
angle     33     34     36   38.00  111.30
angle     33     34     38   87.25  109.50
angle     33     34     46   87.25  109.50
angle     34     34     34   60.40  101.70
angle     34     34     35   87.95  106.58
angle     34     34     36   38.00  111.65
angle     34     34     38   87.95  110.50
angle     34     34     46   87.95  110.50
angle     35     34     36   54.50  110.62
angle     36     34     36   26.23  109.30
angle     36     34     38   54.20  111.30
angle     36     34     46   54.20  111.30
angle     33     35     34   88.25  109.90
angle     33     37     40   37.35  108.65
angle     33     37     41   75.40  108.30
angle     33     37     47   75.40  108.30
angle     40     37     40   34.20  108.38
angle     40     37     41   51.75  110.80
angle     40     37     47   51.75  110.80
angle     34     38     39   64.50  107.65
angle     34     38     42   78.00  110.00
angle     37     41     39   64.50  107.65
angle     37     41     42   78.00  110.00
angle     29     42     32   64.00   98.40
angle     29     42     43   90.00  108.80
angle     32     42     43   90.00  108.80
angle     38     42     41   64.00   98.40
angle     38     42     43   90.00  108.80
angle     41     42     43   90.00  108.80
angle     43     42     43  125.00  122.90
angle     28     44     30   64.50  107.65
angle     26     45     28   64.50  107.65
angle     34     46     39   64.50  107.65
angle     37     47     39   64.50  107.65
angle     49     48     49   48.70  108.50

anglep      1      1      3   42.00  115.90
anglep      1      1      4   60.00  105.88
anglep      1      1      7   60.00  111.38
anglep      1      1      8   60.00  128.40
anglep      1      1     14   42.00  118.49
anglep      1      1     18   60.00  105.88
anglep      3      1      7   90.00  132.47
anglep      4      1      8   90.00  126.37
anglep      7      1     14   90.00  130.37
anglep      8      1     18   90.00  126.37
anglep      4      2      7  130.00  113.18
anglep      4      2      9   41.00  121.27
anglep      7      2      9   40.00  124.53
anglep      7      2     18  130.00  113.18
anglep      9      2     18   41.00  121.27
anglep      1      3      5   32.00  122.40
anglep      1      3      8   60.00  119.30
anglep      5      3      8  135.00  118.00
anglep      5      3     13   32.00  119.50
anglep      8      3     13   60.00  122.50
anglep      1      4      2   42.00  107.20
anglep      1      4     26   48.00  126.48
anglep      1      4     34   48.00  126.48
anglep      2      4     26   58.00  125.40
anglep      2      4     34   58.00  125.40
anglep      6      6      9   32.50  121.46
anglep      6      6     10   32.50  121.46
anglep      6      6     12  130.00  123.56
anglep      6      6     14  130.00  118.99
anglep      6      6     20   28.00  123.52
anglep      6      6     21  130.00  123.56
anglep      8      6      8  135.00  127.90
anglep      8      6     10   41.20  116.07
anglep      8      6     13   60.00  123.28
anglep      9      6     12   40.00  115.75
anglep      9      6     13   32.50  121.49
anglep      9      6     21   40.00  115.75
anglep     10      6     14   32.50  116.87
anglep     12      6     13  130.00  120.74
anglep     13      6     21  130.00  120.74
anglep     14      6     20   28.00  118.28
anglep      6     12     14   80.00  123.84
anglep      6     12     19   32.80  120.00
anglep      6     12     26   52.00  116.20
anglep      6     12     34   52.00  116.20
anglep     14     12     14  125.00  128.52
anglep     14     12     17   80.00  127.19
anglep     14     12     19   43.50  114.97
anglep     14     12     26   48.00  119.00
anglep     14     12     34   48.00  119.00
anglep     17     12     19   32.80  119.77
anglep      3     13      6  112.00  116.50
anglep      3     13     13  112.00  118.66
anglep      3     13     15   37.60  121.50
anglep      5     13     13   32.00  120.63
anglep      6     13      6  112.00  116.90
anglep      6     13     15   37.60  120.47
anglep      1     14     12   45.00  109.14
anglep      1     14     16   85.00  131.17
anglep      1     14     21   45.00  109.14
anglep      6     14     12   45.00  113.34
anglep      6     14     16   85.00  126.37
anglep      6     14     21   45.00  113.34
anglep      8     14     12   60.00  117.24
anglep      8     14     16  135.00  124.73
anglep     12     14     12   60.00  113.94
anglep     12     14     16   60.00  120.00
anglep     12     14     21   60.00  113.94
anglep     16     14     21   60.00  120.00
anglep     21     14     21   60.00  113.94
anglep      5     17      8  135.00  119.25
anglep      5     17     12   32.00  117.10
anglep      5     17     21   32.00  117.10
anglep      8     17     12   60.00  123.65
anglep      1     18      2   42.00  107.20
anglep      1     18     26   48.00  126.48
anglep      1     18     34   48.00  126.48
anglep      2     18     26   58.00  125.40
anglep      2     18     34   58.00  125.40
anglep      6     21     14   80.00  123.84
anglep      6     21     19   32.80  120.00
anglep      6     21     26   52.00  116.20
anglep      6     21     34   52.00  116.20
anglep     14     21     14  125.00  128.52
anglep     14     21     19   43.50  114.97
anglep     14     21     26   48.00  119.00
anglep     14     21     34   48.00  119.00

angtors      2      4     26     23   0.802   0.000  -3.323   0.000   0.000  -0.630
angtors      2      4     34     35   0.802   0.000  -3.323   0.000   0.000  -0.630
angtors      6     12     26     23   0.802   0.000  -3.323   0.000   0.000  -0.630
angtors      6     12     34     35   0.802   0.000  -3.323   0.000   0.000  -0.630
angtors      2     18     26     23   0.802   0.000  -3.323   0.000   0.000  -0.630
angtors      2     18     34     35   0.802   0.000  -3.323   0.000   0.000  -0.630
angtors      6     21     26     23   0.802   0.000  -3.323   0.000   0.000  -0.630
angtors      6     21     34     35   0.802   0.000  -3.323   0.000   0.000  -0.630
angtors     26     29     42     43   0.000   0.000  -0.630   0.000  -6.646   0.000
angtors     30     32     42     43   0.000   0.000  -0.630   0.000  -6.646   0.000
angtors     34     38     42     43   0.000   0.000  -0.630   0.000  -6.646   0.000
angtors     37     41     42     43   0.000   0.000  -0.630   0.000  -6.646   0.000

atom      1      1  C     "Adenine C4"                 6   12.0110  3
atom      2      2  C     "Adenine C8"                 6   12.0110  3
atom      3      3  C     "Adenine C6"                 6   12.0110  3
atom      4      1  C     "Adenine C5"                 6   12.0110  3
atom      5      4  N     "Adenine N9 RNA"             7   14.0070  3
atom      6      4  N     "Adenine N9 DNA"             7   14.0070  3
atom      7      5  N     "Adenine N6"                 7   14.0070  3
atom      8      6  C     "Adenine C2"                 6   12.0110  3
atom      9      7  N     "Adenine N7"                 7   14.0070  2
atom     10      8  N     "Adenine N3"                 7   14.0070  2
atom     11      8  N     "Adenine N1"                 7   14.0070  2
atom     12      9  H     "Adenine H8"                 1    1.0080  1
atom     13     10  H     "Adenine H2"                 1    1.0080  1
atom     14     11  H     "Adenine H61"                1    1.0080  1
atom     15     12  N     "Cytosine N1 RNA"            7   14.0070  3
atom     16     12  N     "Cytosine N1 DNA"            7   14.0070  3
atom     17     13  C     "Cytosine C5"                6   12.0110  3
atom     18      5  N     "Cytosine N4"                7   14.0070  3
atom     19      6  C     "Cytosine C6"                6   12.0110  3
atom     20     14  C     "Cytosine C2"                6   12.0110  3
atom     21      3  C     "Cytosine C4"                6   12.0110  3
atom     22      8  N     "Cytosine N3"                7   14.0070  2
atom     23     15  H     "Cytosine H5"                1    1.0080  1
atom     24     16  O     "Cytosine O2"                8   15.9990  1
atom     25      9  H     "Cytosine H6"                1    1.0080  1
atom     26     11  H     "Cytosine H41"               1    1.0080  1
atom     27     17  C     "Guanine C2"                 6   12.0110  3
atom     28     14  C     "Guanine C6"                 6   12.0110  3
atom     29      1  C     "Guanine C4"                 6   12.0110  3
atom     30      2  C     "Guanine C8"                 6   12.0110  3
atom     31     12  N     "Guanine N1"                 7   14.0070  3
atom     32      5  N     "Guanine N2"                 7   14.0070  3
atom     33      1  C     "Guanine C5"                 6   12.0110  3
atom     34     18  N     "Guanine N9 RNA"             7   14.0070  3
atom     35     18  N     "Guanine N9 DNA"             7   14.0070  3
atom     36      7  N     "Guanine N7"                 7   14.0070  2
atom     37      8  N     "Guanine N3"                 7   14.0070  2
atom     38     19  H     "Guanine H1"                 1    1.0080  1
atom     39     16  O     "Guanine O6"                 8   15.9990  1
atom     40      9  H     "Guanine H8"                 1    1.0080  1
atom     41     11  H     "Guanine H21"                1    1.0080  1
atom     42     20  C     "Thymine C7"                 6   12.0110  4
atom     43      6  C     "Thymine C5"                 6   12.0110  3
atom     44     14  C     "Thymine C4"                 6   12.0110  3
atom     45      6  C     "Thymine C6"                 6   12.0110  3
atom     46     21  N     "Thymine N1"                 7   14.0070  3
atom     47     12  N     "Thymine N3"                 7   14.0070  3
atom     48     14  C     "Thymine C2"                 6   12.0110  3
atom     49     22  H     "Thymine H7"                 1    1.0080  1
atom     50     16  O     "Thymine O2"                 8   15.9990  1
atom     51      9  H     "Thymine H6"                 1    1.0080  1
atom     52     16  O     "Thymine O4"                 8   15.9990  1
atom     53     19  H     "Thymine H3"                 1    1.0080  1
atom     54     14  C     "Uracil C2"                  6   12.0110  3
atom     55      6  C     "Uracil C6"                  6   12.0110  3
atom     56     14  C     "Uracil C4"                  6   12.0110  3
atom     57     12  N     "Uracil N3"                  7   14.0070  3
atom     58     21  N     "Uracil N1"                  7   14.0070  3
atom     59      6  C     "Uracil C5"                  6   12.0110  3
atom     60     19  H     "Uracil H3"                  1    1.0080  1
atom     61     10  H     "Uracil H5"                  1    1.0080  1
atom     62     16  O     "Uracil O2"                  8   15.9990  1
atom     63     16  O     "Uracil O4"                  8   15.9990  1
atom     64      9  H     "Uracil H6"                  1    1.0080  1
atom     65     23  O     "Ribose O4"                 8   15.9990  2
atom     66     24  C     "Ribose C4"                 6   12.0110  4
atom     67     25  H     "Ribose H4"                 1    1.0080  1
atom     68     26  C     "Ribose C1"                 6   12.0110  4
atom     69     25  H     "Ribose H1"                 1    1.0080  1
atom     70     26  C     "Ribose C2"                 6   12.0110  4
atom     71     25  H     "Ribose H21"                1    1.0080  1
atom     72     26  C     "Ribose C3"                 6   12.0110  4
atom     73     25  H     "Ribose H3"                 1    1.0080  1
atom     74     27  O     "Ribose O2"                 8   15.9990  2
atom     75     28  H     "Ribose HO2"                1    1.0080  1
atom     76     29  O     "Ribose O3"                 8   15.9990  2
atom     77     28  H     "Ribose HO3"                1    1.0080  1
atom     78     30  C     "Ribose C5"                 6   12.0110  4
atom     79     31  H     "Ribose H5"                 1    1.0080  1
atom     80     32  O     "Ribose O5"                 8   15.9990  2
atom     81     28  H     "Ribose HO5"                1    1.0080  1
atom     82     33  C     "Deoxyribose C4"            6   12.0110  4
atom     83     34  C     "Deoxyribose C3"            6   12.0110  4
atom     84     34  C     "Deoxyribose C2"            6   12.0110  4
atom     85     34  C     "Deoxyribose C1"            6   12.0110  4
atom     86     35  O     "Deoxyribose O4"            8   15.9990  2
atom     87     36  H     "Deoxyribose H21"           1    1.0080  1
atom     88     36  H     "Deoxyribose H1"            1    1.0080  1
atom     89     36  H     "Deoxyribose H3"            1    1.0080  1
atom     90     36  H     "Deoxyribose H4"            1    1.0080  1
atom     91     37  C     "Deoxyribose C5"            6   12.0110  4
atom     92     38  O     "Deoxyribose O3"            8   15.9990  2
atom     93     39  H     "Deoxyribose HO3"           1    1.0080  1
atom     94     40  H     "Deoxyribose H51"           1    1.0080  1
atom     95     41  O     "Deoxyribose O5"            8   15.9990  2
atom     96     39  H     "Deoxyribose HO5"           1    1.0080  1
atom     97     42  P     "Phosphodiester P"          15   30.9740  4
atom     98     43  O     "Phosphodiester OP"          8   15.9990  1
atom     99     44  O     "R-5-Hydroxyl O5T"         8   15.9990  2
atom    100     45  O     "R-3-Hydroxyl O3T"         8   15.9990  2
atom    101     46  O     "D-3-Hydroxyl O3T"         8   15.9990  2
atom    102     47  O     "D-5-Hydroxyl O5T"         8   15.9990  2
atom    103     48  O     "AMOEBA Water O"             8   15.9990  2
atom    104     49  H     "AMOEBA Water H"             1    1.0080  1
atom    105     50  Li+   "Lithium Ion Li+"            3    6.9410  0
atom    106     51  Na+   "Sodium Ion Na+"            11   22.9900  0
atom    107     52  K+    "Potassium Ion K+"          19   39.0980  0
atom    108     53  Rb+   "Rubidium Ion Rb+"          37   85.4680  0
atom    109     54  Cs+   "Cesium Ion Cs+"            55  132.9050  0
atom    110     55  Be2   "Beryllium Ion Be+2"         4    9.0120  0
atom    111     56  Mg2   "Magnesium Ion Mg+2"        12   24.3050  0
atom    112     57  Ca2   "Calcium Ion Ca+2"          20   40.0780  0
atom    113     58  Sr2   "Strontium Ion Sr+2"        38   87.6200  0
atom    114     59  Ba2   "Barium Ion Ba+2"           56  137.3300  0
atom    115     60  Zn2   "Zinc Ion Zn+2"             30   65.3800  0
atom    116     61  F-    "Fluoride Ion F-"            9   18.9980  0
atom    117     62  Cl-   "Chloride Ion Cl-"          17   35.4530  0
atom    118     63  Br-   "Bromide Ion Br-"           35   79.9040  0
atom    119     64  I-    "Iodide Ion I-"             53  126.9040  0

biotype   1001  O5*   "Adenosine              "     80
biotype   1002  C5*   "Adenosine              "     78
biotype   1003  H5*   "Adenosine              "     79
biotype   1004  H5*   "Adenosine              "     79
biotype   1005  C4*   "Adenosine              "     66
biotype   1006  H4*   "Adenosine              "     67
biotype   1007  O4*   "Adenosine              "     65
biotype   1008  C1*   "Adenosine              "     68
biotype   1009  H1*   "Adenosine              "     69
biotype   1010  C3*   "Adenosine              "     72
biotype   1011  H3*   "Adenosine              "     73
biotype   1012  C2*   "Adenosine              "     70
biotype   1013  H2*   "Adenosine              "     71
biotype   1014  O2*   "Adenosine              "     74
biotype   1015  HO*   "Adenosine              "     75
biotype   1016  O3*   "Adenosine              "     76
biotype   1017  N9    "Adenosine              "      5
biotype   1018  C4    "Adenosine              "      1
biotype   1019  C5    "Adenosine              "      4
biotype   1020  N7    "Adenosine              "      9
biotype   1021  C8    "Adenosine              "      2
biotype   1022  N3    "Adenosine              "     10
biotype   1023  C2    "Adenosine              "      8
biotype   1024  N1    "Adenosine              "     11
biotype   1025  C6    "Adenosine              "      3
biotype   1026  H2    "Adenosine              "     13
biotype   1027  N6    "Adenosine              "      7
biotype   1028  H61   "Adenosine              "     14
biotype   1029  H62   "Adenosine              "     14
biotype   1030  H8    "Adenosine              "     12
biotype   1031  O5*   "Guanosine              "     80
biotype   1032  C5*   "Guanosine              "     78
biotype   1033  H5*   "Guanosine              "     79
biotype   1034  H5*   "Guanosine              "     79
biotype   1035  C4*   "Guanosine              "     66
biotype   1036  H4*   "Guanosine              "     67
biotype   1037  O4*   "Guanosine              "     65
biotype   1038  C1*   "Guanosine              "     68
biotype   1039  H1*   "Guanosine              "     69
biotype   1040  C3*   "Guanosine              "     72
biotype   1041  H3*   "Guanosine              "     73
biotype   1042  C2*   "Guanosine              "     70
biotype   1043  H2*   "Guanosine              "     71
biotype   1044  O2*   "Guanosine              "     74
biotype   1045  HO*   "Guanosine              "     75
biotype   1046  O3*   "Guanosine              "     76
biotype   1047  N9    "Guanosine              "     34
biotype   1048  C4    "Guanosine              "     29
biotype   1049  C5    "Guanosine              "     33
biotype   1050  N7    "Guanosine              "     36
biotype   1051  C8    "Guanosine              "     30
biotype   1052  N3    "Guanosine              "     37
biotype   1053  C2    "Guanosine              "     27
biotype   1054  N1    "Guanosine              "     31
biotype   1055  C6    "Guanosine              "     28
biotype   1056  H1    "Guanosine              "     38
biotype   1057  N2    "Guanosine              "     32
biotype   1058  H21   "Guanosine              "     41
biotype   1059  H22   "Guanosine              "     41
biotype   1060  O6    "Guanosine              "     39
biotype   1061  H8    "Guanosine              "     40
biotype   1062  O5*   "Cytidine               "     80
biotype   1063  C5*   "Cytidine               "     78
biotype   1064  H5*   "Cytidine               "     79
biotype   1065  H5*   "Cytidine               "     79
biotype   1066  C4*   "Cytidine               "     66
biotype   1067  H4*   "Cytidine               "     67
biotype   1068  O4*   "Cytidine               "     65
biotype   1069  C1*   "Cytidine               "     68
biotype   1070  H1*   "Cytidine               "     69
biotype   1071  C3*   "Cytidine               "     72
biotype   1072  H3*   "Cytidine               "     73
biotype   1073  C2*   "Cytidine               "     70
biotype   1074  H2*   "Cytidine               "     71
biotype   1075  O2*   "Cytidine               "     74
biotype   1076  HO*   "Cytidine               "     75
biotype   1077  O3*   "Cytidine               "     76
biotype   1078  N1    "Cytidine               "     15
biotype   1079  C2    "Cytidine               "     20
biotype   1080  N3    "Cytidine               "     22
biotype   1081  C4    "Cytidine               "     21
biotype   1082  C5    "Cytidine               "     17
biotype   1083  C6    "Cytidine               "     19
biotype   1084  O2    "Cytidine               "     24
biotype   1085  N4    "Cytidine               "     18
biotype   1086  H41   "Cytidine               "     26
biotype   1087  H42   "Cytidine               "     26
biotype   1088  H5    "Cytidine               "     23
biotype   1089  H6    "Cytidine               "     25
biotype   1090  O5*   "Uridine                "     80
biotype   1091  C5*   "Uridine                "     78
biotype   1092  H5*   "Uridine                "     79
biotype   1093  H5*   "Uridine                "     79
biotype   1094  C4*   "Uridine                "     66
biotype   1095  H4*   "Uridine                "     67
biotype   1096  O4*   "Uridine                "     65
biotype   1097  C1*   "Uridine                "     68
biotype   1098  H1*   "Uridine                "     69
biotype   1099  C3*   "Uridine                "     72
biotype   1100  H3*   "Uridine                "     73
biotype   1101  C2*   "Uridine                "     70
biotype   1102  H2*   "Uridine                "     71
biotype   1103  O2*   "Uridine                "     74
biotype   1104  HO*   "Uridine                "     75
biotype   1105  O3*   "Uridine                "     76
biotype   1106  N1    "Uridine                "     58
biotype   1107  C2    "Uridine                "     54
biotype   1108  N3    "Uridine                "     57
biotype   1109  C4    "Uridine                "     56
biotype   1110  C5    "Uridine                "     59
biotype   1111  C6    "Uridine                "     55
biotype   1112  O2    "Uridine                "     62
biotype   1113  H3    "Uridine                "     60
biotype   1114  O4    "Uridine                "     63
biotype   1115  H5    "Uridine                "     61
biotype   1116  H6    "Uridine                "     64
biotype   1117  O5*   "Deoxyadenosine         "     95
biotype   1118  C5*   "Deoxyadenosine         "     91
biotype   1119  H5*   "Deoxyadenosine         "     94
biotype   1120  H5*   "Deoxyadenosine         "     94
biotype   1121  C4*   "Deoxyadenosine         "     82
biotype   1122  H4*   "Deoxyadenosine         "     90
biotype   1123  O4*   "Deoxyadenosine         "     86
biotype   1124  C1*   "Deoxyadenosine         "     85
biotype   1125  H1*   "Deoxyadenosine         "     88
biotype   1126  C3*   "Deoxyadenosine         "     83
biotype   1127  H3*   "Deoxyadenosine         "     89
biotype   1128  C2*   "Deoxyadenosine         "     84
biotype   1129  H2*   "Deoxyadenosine         "     87
biotype   1130  H2*   "Deoxyadenosine         "     87
biotype   1131  O3*   "Deoxyadenosine         "     92
biotype   1132  N9    "Deoxyadenosine         "      6
biotype   1133  C4    "Deoxyadenosine         "      1
biotype   1134  C5    "Deoxyadenosine         "      4
biotype   1135  N7    "Deoxyadenosine         "      9
biotype   1136  C8    "Deoxyadenosine         "      2
biotype   1137  N3    "Deoxyadenosine         "     10
biotype   1138  C2    "Deoxyadenosine         "      8
biotype   1139  N1    "Deoxyadenosine         "     11
biotype   1140  C6    "Deoxyadenosine         "      3
biotype   1141  H2    "Deoxyadenosine         "     13
biotype   1142  N6    "Deoxyadenosine         "      7
biotype   1143  H61   "Deoxyadenosine         "     14
biotype   1144  H62   "Deoxyadenosine         "     14
biotype   1145  H8    "Deoxyadenosine         "     12
biotype   1146  O5*   "Deoxyguanosine         "     95
biotype   1147  C5*   "Deoxyguanosine         "     91
biotype   1148  H5*   "Deoxyguanosine         "     94
biotype   1149  H5*   "Deoxyguanosine         "     94
biotype   1150  C4*   "Deoxyguanosine         "     82
biotype   1151  H4*   "Deoxyguanosine         "     90
biotype   1152  O4*   "Deoxyguanosine         "     86
biotype   1153  C1*   "Deoxyguanosine         "     85
biotype   1154  H1*   "Deoxyguanosine         "     88
biotype   1155  C3*   "Deoxyguanosine         "     83
biotype   1156  H3*   "Deoxyguanosine         "     89
biotype   1157  C2*   "Deoxyguanosine         "     84
biotype   1158  H2*   "Deoxyguanosine         "     87
biotype   1159  H2*   "Deoxyguanosine         "     87
biotype   1160  O3*   "Deoxyguanosine         "     92
biotype   1161  N9    "Deoxyguanosine         "     35
biotype   1162  C4    "Deoxyguanosine         "     29
biotype   1163  C5    "Deoxyguanosine         "     33
biotype   1164  N7    "Deoxyguanosine         "     36
biotype   1165  C8    "Deoxyguanosine         "     30
biotype   1166  N3    "Deoxyguanosine         "     37
biotype   1167  C2    "Deoxyguanosine         "     27
biotype   1168  N1    "Deoxyguanosine         "     31
biotype   1169  C6    "Deoxyguanosine         "     28
biotype   1170  H1    "Deoxyguanosine         "     38
biotype   1171  N2    "Deoxyguanosine         "     32
biotype   1172  H21   "Deoxyguanosine         "     41
biotype   1173  H22   "Deoxyguanosine         "     41
biotype   1174  O6    "Deoxyguanosine         "     39
biotype   1175  H8    "Deoxyguanosine         "     40
biotype   1176  O5*   "Deoxycytidine          "     95
biotype   1177  C5*   "Deoxycytidine          "     91
biotype   1178  H5*   "Deoxycytidine          "     94
biotype   1179  H5*   "Deoxycytidine          "     94
biotype   1180  C4*   "Deoxycytidine          "     82
biotype   1181  H4*   "Deoxycytidine          "     90
biotype   1182  O4*   "Deoxycytidine          "     86
biotype   1183  C1*   "Deoxycytidine          "     85
biotype   1184  H1*   "Deoxycytidine          "     88
biotype   1185  C3*   "Deoxycytidine          "     83
biotype   1186  H3*   "Deoxycytidine          "     89
biotype   1187  C2*   "Deoxycytidine          "     84
biotype   1188  H2*   "Deoxycytidine          "     87
biotype   1189  H2*   "Deoxycytidine          "     87
biotype   1190  O3*   "Deoxycytidine          "     92
biotype   1191  N1    "Deoxycytidine          "     16
biotype   1192  C2    "Deoxycytidine          "     20
biotype   1193  N3    "Deoxycytidine          "     22
biotype   1194  C4    "Deoxycytidine          "     21
biotype   1195  C5    "Deoxycytidine          "     17
biotype   1196  C6    "Deoxycytidine          "     19
biotype   1197  O2    "Deoxycytidine          "     24
biotype   1198  N4    "Deoxycytidine          "     18
biotype   1199  H41   "Deoxycytidine          "     26
biotype   1200  H42   "Deoxycytidine          "     26
biotype   1201  H5    "Deoxycytidine          "     23
biotype   1202  H6    "Deoxycytidine          "     25
biotype   1203  O5*   "Deoxythymidine         "     95
biotype   1204  C5*   "Deoxythymidine         "     91
biotype   1205  H5*   "Deoxythymidine         "     94
biotype   1206  H5*   "Deoxythymidine         "     94
biotype   1207  C4*   "Deoxythymidine         "     82
biotype   1208  H4*   "Deoxythymidine         "     90
biotype   1209  O4*   "Deoxythymidine         "     86
biotype   1210  C1*   "Deoxythymidine         "     85
biotype   1211  H1*   "Deoxythymidine         "     88
biotype   1212  C3*   "Deoxythymidine         "     83
biotype   1213  H3*   "Deoxythymidine         "     89
biotype   1214  C2*   "Deoxythymidine         "     84
biotype   1215  H2*   "Deoxythymidine         "     87
biotype   1216  H2*   "Deoxythymidine         "     87
biotype   1217  O3*   "Deoxythymidine         "     92
biotype   1218  N1    "Deoxythymidine         "     46
biotype   1219  C2    "Deoxythymidine         "     48
biotype   1220  N3    "Deoxythymidine         "     47
biotype   1221  C4    "Deoxythymidine         "     44
biotype   1222  C5    "Deoxythymidine         "     43
biotype   1223  C6    "Deoxythymidine         "     45
biotype   1224  O2    "Deoxythymidine         "     50
biotype   1225  H3    "Deoxythymidine         "     53
biotype   1226  O4    "Deoxythymidine         "     52
biotype   1227  C7    "Deoxythymidine         "     42
biotype   1228  H7    "Deoxythymidine         "     49
biotype   1229  H6    "Deoxythymidine         "     51
biotype   1230  P     "Phosphodiester RNA     "     97
biotype   1231  OP    "Phosphodiester RNA     "     98
biotype   1232  O5*   "5-Hydroxyl RNA        "     99
biotype   1233  H5T   "5-Hydroxyl RNA        "     81
biotype   1234  O5*   "5-Monophosphate OS RNA"     -1
biotype   1235  P     "5-Monophosphate P RNA "     -1
biotype   1236  OP    "5-Monophosphate OP RNA"     -1
biotype   1237  O3*   "3-Hydroxyl RNA        "    100
biotype   1238  H3T   "3-Hydroxyl RNA        "     77
biotype   1239  O3*   "3-Monophosphate OS RNA"     -1
biotype   1240  P     "3-Monophosphate P RNA "     -1
biotype   1241  OP    "3-Monophosphate OP RNA"     -1
biotype   1242  P     "Phosphodiester DNA     "     97
biotype   1243  OP    "Phosphodiester DNA     "     98
biotype   1244  O5*   "5-Hydroxyl DNA        "    102
biotype   1245  H5T   "5-Hydroxyl DNA        "     96
biotype   1246  O5*   "5-Monophosphate OS DNA"     -1
biotype   1247  P     "5-Monophosphate P DNA "     -1
biotype   1248  OP    "5-Monophosphate OP DNA"     -1
biotype   1249  O3*   "3-Hydroxyl DNA        "    101
biotype   1250  H3T   "3-Hydroxyl DNA        "     93
biotype   1251  O3*   "3-Monophosphate OS DNA"     -1
biotype   1252  P     "3-Monophosphate P DNA "     -1
biotype   1253  OP    "3-Monophosphate OP DNA"     -1
biotype   2001  O     "Water                  "    103
biotype   2002  H     "Water                  "    104
biotype   2003  LI    "Lithium Ion            "    105
biotype   2004  NA    "Sodium Ion             "    106
biotype   2005  K     "Potassium Ion          "    107
biotype   2006  RB    "Rubidium Ion           "    108
biotype   2007  CS    "Cesium Ion             "    109
biotype   2008  MG    "Magnesium Ion          "    111
biotype   2009  CA    "Calcium Ion            "    112
biotype   2010  SR    "Strontium Ion          "    113
biotype   2011  BA    "Barium Ion             "    114
biotype   2012  F     "Fluoride Ion           "    115
biotype   2013  CL    "Chloride Ion           "    116
biotype   2014  BR    "Bromide Ion            "    117
biotype   2015  I     "Iodide Ion             "    118
biotype   2016  ZN    "Zinc Ion               "    119

bond      1      1   268.00   1.4040
bond      1      3   340.00   1.4060
bond      1      4   340.00   1.3700
bond      1      7   460.00   1.3720
bond      1      8   340.00   1.3500
bond      1     14   340.00   1.4370
bond      1     18   340.00   1.3700
bond      2      4   400.00   1.3620
bond      2      7   478.00   1.3350
bond      2      9   420.00   1.0760
bond      2     18   400.00   1.3620
bond      3      5   420.00   1.3550
bond      3      8   400.00   1.3260
bond      3     13   390.00   1.4200
bond      4     26   390.00   1.4320
bond      4     34   390.00   1.4320
bond      5     11   540.00   1.0040
bond      5     17   420.00   1.3610
bond      6      6   420.00   1.3530
bond      6      8   400.00   1.3340
bond      6      9   405.00   1.0810
bond      6     10   405.00   1.0810
bond      6     12   400.00   1.3420
bond      6     13   390.00   1.3810
bond      6     14   420.00   1.4450
bond      6     20   360.00   1.4930
bond      6     21   400.00   1.3420
bond      8     14   478.00   1.3690
bond      8     17   400.00   1.3100
bond     12     14   325.00   1.3970
bond     12     17   400.00   1.3660
bond     12     19   512.00   1.0110
bond     12     26   360.00   1.4150
bond     12     34   360.00   1.4150
bond     13     15   408.00   1.0800
bond     14     16   530.00   1.2240
bond     14     21   325.00   1.3970
bond     18     26   390.00   1.4320
bond     18     34   390.00   1.4320
bond     19     21   512.00   1.0110
bond     20     22   384.00   1.0870
bond     21     26   360.00   1.4150
bond     21     34   360.00   1.4150
bond     23     24   384.00   1.4320
bond     23     26   384.00   1.4140
bond     24     25   389.50   1.0920
bond     24     26   320.00   1.5100
bond     24     30   380.00   1.5020
bond     25     26   389.50   1.0920
bond     26     26   320.00   1.5100
bond     26     27   384.00   1.4100
bond     26     29   384.00   1.4100
bond     26     45   384.00   1.4100
bond     27     28   615.50   0.9710
bond     28     29   615.50   0.9710
bond     28     32   615.50   0.9710
bond     28     44   615.50   0.9710
bond     28     45   615.50   0.9710
bond     29     42   320.00   1.6060
bond     30     31   398.50   1.0920
bond     30     32   484.00   1.4100
bond     30     44   484.00   1.4100
bond     32     42   320.00   1.6060
bond     33     34   320.00   1.5100
bond     33     35   384.00   1.4320
bond     33     36   389.50   1.0920
bond     33     37   380.00   1.5020
bond     34     34   320.00   1.5100
bond     34     35   384.00   1.4140
bond     34     36   389.50   1.0920
bond     34     38   384.00   1.4100
bond     34     46   384.00   1.4100
bond     37     40   398.50   1.0920
bond     37     41   484.00   1.4100
bond     37     47   484.00   1.4100
bond     38     39   615.50   0.9710
bond     38     42   320.00   1.6060
bond     39     41   615.50   0.9710
bond     39     46   615.50   0.9710
bond     39     47   615.50   0.9710
bond     41     42   320.00   1.6060
bond     42     43   700.00   1.4960
bond     48     49   556.85   0.9572

multipole      1      4      5          0.19705 \
                                        0.05235  0.00000 -0.55644 \
                                       -0.17689 \
                                        0.00000  0.07507 \
                                       -0.26977  0.00000  0.10182
multipole      1      4      6          0.19705 \
                                        0.05235  0.00000 -0.55644 \
                                       -0.17689 \
                                        0.00000  0.07507 \
                                       -0.26977  0.00000  0.10182
multipole      2      5      9          0.35474 \
                                        0.27278  0.00000  0.17660 \
                                       -0.11495 \
                                        0.00000 -0.52849 \
                                       -0.24464  0.00000  0.64344
multipole      2      6      9          0.35474 \
                                        0.27278  0.00000  0.17660 \
                                       -0.11495 \
                                        0.00000 -0.52849 \
                                       -0.24464  0.00000  0.64344
multipole      3      4      7          0.62323 \
                                        0.04051  0.00000 -0.40121 \
                                       -0.16700 \
                                        0.00000 -0.05202 \
                                        0.14286  0.00000  0.21902
multipole      4      1      3          0.11018 \
                                       -0.27451  0.00000 -0.16246 \
                                       -0.43024 \
                                        0.00000  0.15634 \
                                        0.11274  0.00000  0.27390
multipole      5      1      2         -0.16574 \
                                       -0.15654  0.00000 -0.29303 \
                                        0.81194 \
                                        0.00000 -0.31643 \
                                       -0.09665  0.00000 -0.49551
multipole      6      1      2         -0.19177 \
                                       -0.15102  0.00000 -0.28082 \
                                        1.02852 \
                                        0.00000  0.19924 \
                                       -0.11670  0.00000 -1.22776
multipole      7      3     14         -0.30216 \
                                        0.00000  0.00000 -0.23479 \
                                       -0.18214 \
                                        0.00000 -0.18214 \
                                        0.00000  0.00000  0.36428
multipole      8     10     11          0.53583 \
                                        0.46262  0.00000  0.23806 \
                                        0.30445 \
                                        0.00000 -0.30622 \
                                        0.27296  0.00000  0.00177
multipole      9      2      4         -0.50058 \
                                        0.27961  0.00000  0.29857 \
                                       -0.21774 \
                                        0.00000 -0.20902 \
                                       -0.22060  0.00000  0.42676
multipole     10      1      8         -0.59923 \
                                        0.25112  0.00000 -0.03017 \
                                        0.05684 \
                                        0.00000  0.03677 \
                                       -0.42077  0.00000 -0.09361
multipole     11      3      8         -0.68218 \
                                        0.26819  0.00000 -0.11771 \
                                       -0.22542 \
                                        0.00000  0.23562 \
                                       -0.49764  0.00000 -0.01020
multipole     12      2      5          0.03522 \
                                       -0.00715  0.00000 -0.19094 \
                                        0.12022 \
                                        0.00000 -0.00738 \
                                       -0.01223  0.00000 -0.11284
multipole     12      2      6          0.03522 \
                                       -0.00715  0.00000 -0.19094 \
                                        0.12022 \
                                        0.00000 -0.00738 \
                                       -0.01223  0.00000 -0.11284
multipole     13      8     10          0.01012 \
                                        0.00378  0.00000 -0.20885 \
                                        0.29328 \
                                        0.00000 -0.03702 \
                                        0.01627  0.00000 -0.25626
multipole     14      7      3          0.11946 \
                                        0.10111  0.00000 -0.36228 \
                                        0.30681 \
                                        0.00000  0.00962 \
                                        0.09733  0.00000 -0.31643
multipole     15     19     20         -0.24104 \
                                       -0.46930  0.00000 -0.00215 \
                                       -0.63770 \
                                        0.00000 -0.12764 \
                                       -0.21639  0.00000  0.76534
multipole     16     19     20         -0.26707 \
                                       -0.43500  0.00000 -0.02543 \
                                       -0.80418 \
                                        0.00000 -0.16395 \
                                       -0.56679  0.00000  0.96813
multipole     17     19     21         -0.21855 \
                                       -0.02433  0.00000 -0.04067 \
                                        0.07073 \
                                        0.00000 -0.29598 \
                                        0.18324  0.00000  0.22525
multipole     18     21     26         -0.26774 \
                                        0.00000  0.00000 -0.14722 \
                                       -0.20683 \
                                        0.00000 -0.20683 \
                                        0.00000  0.00000  0.41366
multipole     19     15     17          0.21574 \
                                        0.02713  0.00000  0.38093 \
                                       -0.32457 \
                                        0.00000 -0.21073 \
                                        0.24767  0.00000  0.53530
multipole     19     16     17          0.21574 \
                                        0.02713  0.00000  0.38093 \
                                       -0.32457 \
                                        0.00000 -0.21073 \
                                        0.24767  0.00000  0.53530
multipole     20     15     22          0.99441 \
                                       -0.20032  0.00000 -0.07584 \
                                        0.26825 \
                                        0.00000 -0.16618 \
                                       -0.12141  0.00000 -0.10207
multipole     20     16     22          0.99441 \
                                       -0.20032  0.00000 -0.07584 \
                                        0.26825 \
                                        0.00000 -0.16618 \
                                       -0.12141  0.00000 -0.10207
multipole     21     17     18          0.63287 \
                                        0.11720  0.00000 -0.36908 \
                                       -0.70790 \
                                        0.00000 -0.09015 \
                                        0.13248  0.00000  0.79805
multipole     22     20     21         -0.72673 \
                                        0.11437  0.00000  0.27430 \
                                       -0.36580 \
                                        0.00000  0.16860 \
                                       -0.15967  0.00000  0.19720
multipole     23     17     19          0.03287 \
                                       -0.02386  0.00000 -0.16869 \
                                        0.19235 \
                                        0.00000 -0.04497 \
                                       -0.11320  0.00000 -0.14738
multipole     24     20     15         -0.80802 \
                                       -0.13691  0.00000 -0.17532 \
                                       -0.06093 \
                                        0.00000 -0.00808 \
                                       -0.25644  0.00000  0.06901
multipole     24     20     16         -0.80802 \
                                       -0.13691  0.00000 -0.17532 \
                                       -0.06093 \
                                        0.00000 -0.00808 \
                                       -0.25644  0.00000  0.06901
multipole     25     19     15          0.01925 \
                                        0.00579  0.00000 -0.19218 \
                                        0.10120 \
                                        0.00000  0.03689 \
                                        0.06622  0.00000 -0.13809
multipole     25     19     16          0.01925 \
                                        0.00579  0.00000 -0.19218 \
                                        0.10120 \
                                        0.00000  0.03689 \
                                        0.06622  0.00000 -0.13809
multipole     26     18     21          0.11117 \
                                        0.06785  0.00000 -0.34828 \
                                        0.25530 \
                                        0.00000  0.00041 \
                                        0.07371  0.00000 -0.25571
multipole     27     31     32          0.81575 \
                                        0.07393  0.00000 -0.07697 \
                                       -1.62256 \
                                        0.00000  0.42511 \
                                        0.47701  0.00000  1.19745
multipole     28     31     33          0.91682 \
                                       -0.28939  0.00000 -0.03405 \
                                       -0.49481 \
                                        0.00000  0.06805 \
                                        0.30090  0.00000  0.42676
multipole     29     33     34          0.25636 \
                                       -0.06429  0.00000 -0.39303 \
                                       -0.02366 \
                                        0.00000 -0.11189 \
                                       -0.68217  0.00000  0.13555
multipole     29     33     35          0.25636 \
                                       -0.06429  0.00000 -0.39303 \
                                       -0.02366 \
                                        0.00000 -0.11189 \
                                       -0.68217  0.00000  0.13555
multipole     30     34     36          0.33548 \
                                        0.26446  0.00000  0.19054 \
                                       -0.14954 \
                                        0.00000 -0.63553 \
                                       -0.24037  0.00000  0.78507
multipole     30     35     36          0.33548 \
                                        0.26446  0.00000  0.19054 \
                                       -0.14954 \
                                        0.00000 -0.63553 \
                                       -0.24037  0.00000  0.78507
multipole     31     27     28         -0.46516 \
                                       -0.20039  0.00000 -0.02958 \
                                        0.18319 \
                                        0.00000 -0.31924 \
                                        0.55206  0.00000  0.13605
multipole     32     27     41         -0.34777 \
                                        0.00000  0.00000  0.09810 \
                                       -0.22674 \
                                        0.00000 -0.22674 \
                                        0.00000  0.00000  0.45348
multipole     33     28     29         -0.00139 \
                                       -0.34214  0.00000 -0.25452 \
                                        0.57109 \
                                        0.00000  0.08638 \
                                       -0.46661  0.00000 -0.65747
multipole     34     29     30         -0.13948 \
                                       -0.16345  0.00000 -0.28631 \
                                        0.81099 \
                                        0.00000 -0.38335 \
                                        0.22009  0.00000 -0.42764
multipole     35     29     30         -0.16551 \
                                       -0.15213  0.00000 -0.24822 \
                                        0.87781 \
                                        0.00000 -0.04263 \
                                        0.16842  0.00000 -0.83518
multipole     36     30     33         -0.49075 \
                                        0.19750  0.00000  0.34115 \
                                       -0.18411 \
                                        0.00000  0.02266 \
                                       -0.00528  0.00000  0.16145
multipole     37     27     29         -0.68515 \
                                        0.30301  0.00000  0.07467 \
                                        0.27482 \
                                        0.00000  0.10098 \
                                        0.18985  0.00000 -0.37580
multipole     38     31     27          0.13360 \
                                       -0.01556  0.00000 -0.29570 \
                                        0.16829 \
                                        0.00000  0.14413 \
                                       -0.17971  0.00000 -0.31242
multipole     39     28     31         -0.75414 \
                                       -0.02651  0.00000 -0.22256 \
                                       -0.25663 \
                                        0.00000  0.15963 \
                                       -0.07481  0.00000  0.09700
multipole     40     30     34          0.03471 \
                                        0.00549  0.00000 -0.20010 \
                                        0.02971 \
                                        0.00000  0.08931 \
                                        0.04294  0.00000 -0.11902
multipole     40     30     35          0.03471 \
                                        0.00549  0.00000 -0.20010 \
                                        0.02971 \
                                        0.00000  0.08931 \
                                        0.04294  0.00000 -0.11902
multipole     41     32     27          0.12326 \
                                       -0.12194  0.00000 -0.40562 \
                                        0.04772 \
                                        0.00000  0.25205 \
                                       -0.10563  0.00000 -0.29977
multipole     42     43     49         -0.12472 \
                                        0.00000  0.00000  0.23414 \
                                       -0.16670 \
                                        0.00000 -0.16670 \
                                        0.00000  0.00000  0.33340
multipole     43     42     44         -0.32491 \
                                       -0.11852  0.00000  0.38086 \
                                        0.04438 \
                                        0.00000 -0.36513 \
                                        0.61277  0.00000  0.32075
multipole     44     43     47          0.94792 \
                                       -0.37385  0.00000 -0.16991 \
                                        0.27250 \
                                        0.00000 -0.11690 \
                                       -0.46630  0.00000 -0.15560
multipole     45     43     46          0.13457 \
                                        0.28512  0.00000 -0.15252 \
                                        0.24926 \
                                        0.00000 -0.37318 \
                                       -0.29476  0.00000  0.12392
multipole     46     45     48         -0.20596 \
                                       -0.28927  0.00000  0.05138 \
                                       -0.61284 \
                                        0.00000 -0.37546 \
                                       -0.25749  0.00000  0.98830
multipole     47     44     48         -0.37323 \
                                       -0.03823  0.00000 -0.10180 \
                                        0.54796 \
                                        0.00000 -0.43130 \
                                        0.23181  0.00000 -0.11666
multipole     48     46     47          0.96217 \
                                       -0.16525  0.00000 -0.11314 \
                                        0.36596 \
                                        0.00000 -0.21822 \
                                       -0.05615  0.00000 -0.14774
multipole     49     42     43          0.07468 \
                                        0.01065  0.00000 -0.01558 \
                                       -0.01394 \
                                        0.00000 -0.06177 \
                                        0.02095  0.00000  0.07571
multipole     50     48     46         -0.81528 \
                                       -0.05664  0.00000 -0.20927 \
                                       -0.13286 \
                                        0.00000  0.05238 \
                                       -0.06252  0.00000  0.08048
multipole     51     45     43          0.03316 \
                                        0.00796  0.00000 -0.15603 \
                                        0.06552 \
                                        0.00000  0.00785 \
                                       -0.01504  0.00000 -0.07337
multipole     52     44     43         -0.79250 \
                                       -0.09925  0.00000 -0.24004 \
                                       -0.27421 \
                                        0.00000  0.16551 \
                                       -0.12860  0.00000  0.10870
multipole     53     47     44          0.16411 \
                                        0.00839  0.00000 -0.12442 \
                                       -0.09057 \
                                        0.00000  0.00294 \
                                        0.00693  0.00000  0.08763
multipole     54     57     58          0.96728 \
                                       -0.16517  0.00000 -0.11030 \
                                       -0.14243 \
                                        0.00000 -0.19294 \
                                        0.11920  0.00000  0.33537
multipole     55     58     59          0.20155 \
                                        0.10244  0.00000  0.30074 \
                                       -0.12081 \
                                        0.00000 -0.38422 \
                                       -0.06545  0.00000  0.50503
multipole     56     57     59          0.85168 \
                                       -0.22270  0.00000 -0.07763 \
                                       -0.00198 \
                                        0.00000 -0.01706 \
                                       -0.28197  0.00000  0.01904
multipole     57     54     56         -0.38069 \
                                       -0.14505  0.00000 -0.04085 \
                                        0.47767 \
                                        0.00000 -0.40383 \
                                        0.32823  0.00000 -0.07384
multipole     58     54     55         -0.19639 \
                                       -0.16349  0.00000 -0.36007 \
                                        0.98907 \
                                        0.00000 -1.02460 \
                                       -0.18271  0.00000  0.03553
multipole     59     55     56         -0.30583 \
                                       -0.17480  0.00000 -0.07381 \
                                       -0.09671 \
                                        0.00000 -0.36088 \
                                        0.02211  0.00000  0.45759
multipole     60     57     54          0.16490 \
                                        0.00383  0.00000 -0.15117 \
                                        0.07794 \
                                        0.00000 -0.04305 \
                                        0.06224  0.00000 -0.03489
multipole     61     59     55          0.03819 \
                                       -0.01137  0.00000 -0.19659 \
                                        0.13645 \
                                        0.00000  0.01095 \
                                       -0.04797  0.00000 -0.14740
multipole     62     54     57         -0.80827 \
                                        0.04828  0.00000 -0.21537 \
                                       -0.20344 \
                                        0.00000  0.08236 \
                                        0.10174  0.00000  0.12108
multipole     63     56     57         -0.71662 \
                                       -0.03231  0.00000 -0.16721 \
                                       -0.47288 \
                                        0.00000  0.23591 \
                                       -0.01906  0.00000  0.23697
multipole     64     55     58          0.03960 \
                                       -0.00001  0.00000 -0.18599 \
                                        0.07673 \
                                        0.00000  0.06769 \
                                        0.06469  0.00000 -0.14442
multipole     65    -68    -66         -0.21219 \
                                        0.14040  0.00000  0.44294 \
                                        1.12348 \
                                        0.00000 -0.86617 \
                                        0.03072  0.00000 -0.25731
multipole     66     65     72         -0.04958 \
                                        0.13334  0.00000  0.11242 \
                                       -0.15679 \
                                        0.00000 -0.51619 \
                                        0.33627  0.00000  0.67298
multipole     66     65    100         -0.04958 \
                                        0.13334  0.00000  0.11242 \
                                       -0.15679 \
                                        0.00000 -0.51619 \
                                        0.33627  0.00000  0.67298
multipole     67     66     65          0.05304 \
                                        0.02860  0.00000 -0.02198 \
                                       -0.05851 \
                                        0.00000  0.07881 \
                                       -0.01698  0.00000 -0.02030
multipole     68     65     70          0.22509 \
                                       -0.02635  0.00000  0.29464 \
                                       -0.08112 \
                                        0.00000 -0.47377 \
                                        0.09344  0.00000  0.55489
multipole     69     68     65          0.01372 \
                                       -0.00919  0.00000 -0.08228 \
                                       -0.07774 \
                                        0.00000  0.12514 \
                                       -0.03924  0.00000 -0.04740
multipole     70     74     68          0.03216 \
                                        0.10990  0.00000 -0.01958 \
                                        0.37889 \
                                        0.00000 -0.28717 \
                                       -0.17655  0.00000 -0.09172
multipole     71     70     74          0.02686 \
                                        0.00928  0.00000 -0.08296 \
                                        0.06542 \
                                        0.00000  0.05572 \
                                       -0.06717  0.00000 -0.12114
multipole     72     76     66          0.20366 \
                                        0.20594  0.00000  0.09319 \
                                       -0.11723 \
                                        0.00000 -0.31762 \
                                       -0.43984  0.00000  0.43485
multipole     72    100     66          0.20366 \
                                        0.20594  0.00000  0.09319 \
                                       -0.11723 \
                                        0.00000 -0.31762 \
                                       -0.43984  0.00000  0.43485
multipole     73     72     76          0.05807 \
                                        0.02182  0.00000 -0.04741 \
                                       -0.01189 \
                                        0.00000  0.01995 \
                                        0.00147  0.00000 -0.00806
multipole     73     72    100          0.05807 \
                                        0.02182  0.00000 -0.04741 \
                                       -0.01189 \
                                        0.00000  0.01995 \
                                        0.00147  0.00000 -0.00806
multipole     74     70     75         -0.46715 \
                                       -0.24005  0.00000  0.22215 \
                                       -0.23660 \
                                        0.00000 -0.43315 \
                                       -0.40748  0.00000  0.66975
multipole     75     74     70          0.36314 \
                                        0.09447  0.00000 -0.13458 \
                                        0.10571 \
                                        0.00000  0.03601 \
                                        0.09130  0.00000 -0.14172
multipole     76     72     66         -0.54322 \
                                       -0.13139  0.00000 -0.09707 \
                                        0.25255 \
                                        0.00000 -0.62094 \
                                        0.53908  0.00000  0.36839
multipole     77    100     72          0.36509 \
                                       -0.03477  0.00000 -0.07061 \
                                        0.00668 \
                                        0.00000 -0.00878 \
                                       -0.03884  0.00000  0.00210
multipole     78     80     66          0.21472 \
                                        0.26025  0.00000  0.34835 \
                                        0.07978 \
                                        0.00000 -0.45645 \
                                       -0.03790  0.00000  0.37667
multipole     78     99     66          0.21472 \
                                        0.26025  0.00000  0.34835 \
                                        0.07978 \
                                        0.00000 -0.45645 \
                                       -0.03790  0.00000  0.37667
multipole     79     78     80          0.01769 \
                                       -0.00317  0.00000 -0.11654 \
                                        0.10449 \
                                        0.00000 -0.04493 \
                                       -0.02925  0.00000 -0.05956
multipole     79     78     99          0.01769 \
                                       -0.00317  0.00000 -0.11654 \
                                        0.10449 \
                                        0.00000 -0.04493 \
                                       -0.02925  0.00000 -0.05956
multipole     80     78     66         -0.56592 \
                                       -0.32270  0.00000 -0.10112 \
                                        0.42126 \
                                        0.00000 -1.13829 \
                                        0.05033  0.00000  0.71703
multipole     81     99     78          0.36475 \
                                        0.00908  0.00000 -0.09922 \
                                        0.06175 \
                                        0.00000 -0.02643 \
                                        0.03413  0.00000 -0.03532
multipole     82     86     83         -0.04092 \
                                        0.09394  0.00000  0.14534 \
                                       -0.08972 \
                                        0.00000 -0.36979 \
                                        0.35252  0.00000  0.45951
multipole     83     92     82          0.09541 \
                                        0.23270  0.00000  0.16242 \
                                       -0.08206 \
                                        0.00000 -0.24668 \
                                       -0.05092  0.00000  0.32874
multipole     83    101     82          0.09541 \
                                        0.23270  0.00000  0.16242 \
                                       -0.08206 \
                                        0.00000 -0.24668 \
                                       -0.05092  0.00000  0.32874
multipole     84     85     83         -0.16585 \
                                        0.34883  0.00000  0.32833 \
                                        0.52159 \
                                        0.00000 -0.79855 \
                                       -0.04388  0.00000  0.27696
multipole     85     86     84          0.36158 \
                                        0.07286  0.00000  0.32523 \
                                        0.20365 \
                                        0.00000 -0.53379 \
                                       -0.16275  0.00000  0.33014
multipole     86    -85    -82         -0.20726 \
                                        0.17196  0.00000  0.47089 \
                                        1.34014 \
                                        0.00000 -1.03558 \
                                        0.09226  0.00000 -0.30456
multipole     87     84     83          0.07594 \
                                       -0.00339  0.00000 -0.12482 \
                                        0.03839 \
                                        0.00000  0.06287 \
                                       -0.06388  0.00000 -0.10126
multipole     88     85     86         -0.02874 \
                                       -0.02540  0.00000 -0.16522 \
                                        0.03324 \
                                        0.00000  0.05278 \
                                       -0.02045  0.00000 -0.08602
multipole     89     83     92          0.04534 \
                                        0.03745  0.00000 -0.06219 \
                                        0.05688 \
                                        0.00000  0.05897 \
                                        0.04350  0.00000 -0.11585
multipole     89     83    101          0.04534 \
                                        0.03745  0.00000 -0.06219 \
                                        0.05688 \
                                        0.00000  0.05897 \
                                        0.04350  0.00000 -0.11585
multipole     90     82     86          0.06371 \
                                       -0.00143  0.00000  0.03820 \
                                       -0.07016 \
                                        0.00000 -0.02994 \
                                       -0.02128  0.00000  0.10010
multipole     91     95     82          0.20884 \
                                        0.23256  0.00000  0.32780 \
                                        0.07966 \
                                        0.00000 -0.49936 \
                                       -0.23651  0.00000  0.41970
multipole     91    102     82          0.20884 \
                                        0.23256  0.00000  0.32780 \
                                        0.07966 \
                                        0.00000 -0.49936 \
                                       -0.23651  0.00000  0.41970
multipole     92     83     82         -0.53633 \
                                       -0.15241  0.00000  0.08515 \
                                       -0.15239 \
                                        0.00000 -0.52084 \
                                        0.11305  0.00000  0.67323
multipole     93    101     83          0.35299 \
                                       -0.02338  0.00000 -0.07709 \
                                        0.08385 \
                                        0.00000 -0.02966 \
                                       -0.02571  0.00000 -0.05419
multipole     94     91     95          0.01484 \
                                       -0.00257  0.00000 -0.14412 \
                                        0.09017 \
                                        0.00000  0.03078 \
                                       -0.02370  0.00000 -0.12095
multipole     94     91    102          0.01484 \
                                       -0.00257  0.00000 -0.14412 \
                                        0.09017 \
                                        0.00000  0.03078 \
                                       -0.02370  0.00000 -0.12095
multipole     95     91     82         -0.56353 \
                                       -0.22239  0.00000 -0.06011 \
                                        0.38656 \
                                        0.00000 -1.00409 \
                                        0.25289  0.00000  0.61753
multipole     96    102     91          0.36821 \
                                       -0.00780  0.00000 -0.05456 \
                                        0.01443 \
                                        0.00000 -0.02693 \
                                        0.00842  0.00000  0.01250
multipole     97    -80    -76          1.70654 \
                                        0.00000  0.00000 -0.01783 \
                                        0.54887 \
                                        0.00000 -0.40394 \
                                        0.00000  0.00000 -0.14493
multipole     97    -95    -92          1.70654 \
                                        0.00000  0.00000 -0.01783 \
                                        0.54887 \
                                        0.00000 -0.40394 \
                                        0.00000  0.00000 -0.14493
multipole     98     97     98         -0.97486 \
                                        0.00176  0.00000 -0.07975 \
                                       -0.17391 \
                                        0.00000 -0.19149 \
                                       -0.01158  0.00000  0.36540
multipole     99    -78    -81         -0.55194 \
                                       -0.28854  0.00000  0.13115 \
                                        0.52394 \
                                        0.00000 -0.49611 \
                                       -0.53329  0.00000 -0.02783
multipole    100    -72    -77         -0.53022 \
                                       -0.30181  0.00000  0.07347 \
                                        0.67028 \
                                        0.00000 -0.55976 \
                                       -0.27623  0.00000 -0.11052
multipole    101    -83    -93         -0.51852 \
                                       -0.33062  0.00000  0.16496 \
                                        0.59735 \
                                        0.00000 -0.64156 \
                                       -0.24661  0.00000  0.04421
multipole    102    -91    -96         -0.54572 \
                                       -0.35421  0.00000  0.09483 \
                                        0.77382 \
                                        0.00000 -0.63430 \
                                       -0.30271  0.00000 -0.13952
multipole    103   -104   -104         -0.51966 \
                                        0.00000  0.00000  0.14279 \
                                        0.37928 \
                                        0.00000 -0.41809 \
                                        0.00000  0.00000  0.03881
multipole    104    103    104          0.25983 \
                                       -0.03859  0.00000 -0.05818 \
                                       -0.03673 \
                                        0.00000 -0.10739 \
                                       -0.00203  0.00000  0.14412
multipole    105                        1.00000 \
                                        0.00000  0.00000  0.00000 \
                                        0.00000 \
                                        0.00000  0.00000 \
                                        0.00000  0.00000  0.00000
multipole    106                        1.00000 \
                                        0.00000  0.00000  0.00000 \
                                        0.00000 \
                                        0.00000  0.00000 \
                                        0.00000  0.00000  0.00000
multipole    107                        1.00000 \
                                        0.00000  0.00000  0.00000 \
                                        0.00000 \
                                        0.00000  0.00000 \
                                        0.00000  0.00000  0.00000
multipole    108                        1.00000 \
                                        0.00000  0.00000  0.00000 \
                                        0.00000 \
                                        0.00000  0.00000 \
                                        0.00000  0.00000  0.00000
multipole    109                        1.00000 \
                                        0.00000  0.00000  0.00000 \
                                        0.00000 \
                                        0.00000  0.00000 \
                                        0.00000  0.00000  0.00000
multipole    110                        2.00000 \
                                        0.00000  0.00000  0.00000 \
                                        0.00000 \
                                        0.00000  0.00000 \
                                        0.00000  0.00000  0.00000
multipole    111                        2.00000 \
                                        0.00000  0.00000  0.00000 \
                                        0.00000 \
                                        0.00000  0.00000 \
                                        0.00000  0.00000  0.00000
multipole    112                        2.00000 \
                                        0.00000  0.00000  0.00000 \
                                        0.00000 \
                                        0.00000  0.00000 \
                                        0.00000  0.00000  0.00000
multipole    113                        2.00000 \
                                        0.00000  0.00000  0.00000 \
                                        0.00000 \
                                        0.00000  0.00000 \
                                        0.00000  0.00000  0.00000
multipole    114                        2.00000 \
                                        0.00000  0.00000  0.00000 \
                                        0.00000 \
                                        0.00000  0.00000 \
                                        0.00000  0.00000  0.00000
multipole    115                        2.00000 \
                                        0.00000  0.00000  0.00000 \
                                        0.00000 \
                                        0.00000  0.00000 \
                                        0.00000  0.00000  0.00000
multipole    116                       -1.00000 \
                                        0.00000  0.00000  0.00000 \
                                        0.00000 \
                                        0.00000  0.00000 \
                                        0.00000  0.00000  0.00000
multipole    117                       -1.00000 \
                                        0.00000  0.00000  0.00000 \
                                        0.00000 \
                                        0.00000  0.00000 \
                                        0.00000  0.00000  0.00000
multipole    118                       -1.00000 \
                                        0.00000  0.00000  0.00000 \
                                        0.00000 \
                                        0.00000  0.00000 \
                                        0.00000  0.00000  0.00000
multipole    119                       -1.00000 \
                                        0.00000  0.00000  0.00000 \
                                        0.00000 \
                                        0.00000  0.00000 \
                                        0.00000  0.00000  0.00000

opbend      1      1      3      7    7.94
opbend      1      1      4      8    5.87
opbend      1      1      7     14    6.92
opbend      1      1      8     18    5.87
opbend      1      3      5      8   12.74
opbend      1      4      2     26    8.11
opbend      1      4      2     34    8.11
opbend      1     14     12     16   13.16
opbend      1     14     16     21   13.16
opbend      1     18      2     26    8.11
opbend      1     18      2     34    8.11
opbend      2      4      1     26    8.11
opbend      2      4      1     34    8.11
opbend      2     18      1     26    8.11
opbend      2     18      1     34    8.11
opbend      3      1      1      7    7.94
opbend      3     13      6     15   10.23
opbend      4      1      1      8    5.87
opbend      4      2      7      9    8.88
opbend      5      3      1      8   12.74
opbend      5      3      8     13   12.54
opbend      5     17      8     12   12.45
opbend      5     17      8     21   12.45
opbend      6      6      9     12   13.05
opbend      6      6      9     21   13.05
opbend      6      6     10     14    9.28
opbend      6      6     14     20    8.50
opbend      6     12     14     26    2.17
opbend      6     12     14     34    2.17
opbend      6     13      3     15   10.23
opbend      6     13      6     15   10.34
opbend      6     14     12     16   12.64
opbend      6     14     16     21   12.64
opbend      6     21     14     26    2.17
opbend      6     21     14     34    2.17
opbend      7      1      1      3    7.94
opbend      7      1      1     14    6.92
opbend      7      2      4      9    8.88
opbend      7      2      9     18    8.88
opbend      8      1      1      4    5.87
opbend      8      1      1     18    5.87
opbend      8      3      1      5   12.74
opbend      8      3      5     13   12.54
opbend      8      6      8     10    5.91
opbend      8     14     12     16   12.62
opbend      8     14     16     21   12.62
opbend      8     17      5     12   12.45
opbend      8     17      5     21   12.45
opbend      9      2      4      7    8.88
opbend      9      2      7     18    8.88
opbend      9      6      6     12   13.05
opbend      9      6      6     21   13.05
opbend      9      6     12     13   10.31
opbend      9      6     13     21   10.31
opbend     10      6      6     14    9.28
opbend     10      6      8      8   10.96
opbend     12      6      6      9   13.05
opbend     12      6      9     13   10.31
opbend     12     14      1     16   13.16
opbend     12     14      6     16   12.64
opbend     12     14      8     16   12.62
opbend     12     14     12     16    7.50
opbend     12     14     16     21    7.50
opbend     12     17      5      8   12.45
opbend     13      3      5      8   12.54
opbend     13      6      9     12   10.31
opbend     13      6      9     21   10.31
opbend     14      1      1      7    6.92
opbend     14      6      6     10    9.28
opbend     14      6      6     20    8.50
opbend     14     12      6     26    2.17
opbend     14     12      6     34    2.17
opbend     14     12     14     19    7.47
opbend     14     12     17     19    7.05
opbend     14     21      6     26    2.17
opbend     14     21      6     34    2.17
opbend     14     21     14     19    7.47
opbend     14     21     17     19    7.05
opbend     15     13      3      6   10.23
opbend     15     13      6      6   13.17
opbend     16     14      1     12   70.16
opbend     16     14      1     21   70.16
opbend     16     14      6     12   70.64
opbend     16     14      6     21   70.64
opbend     16     14      8     12   70.62
opbend     16     14      8     21   70.62
opbend     16     14     12     12   71.00
opbend     16     14     12     21   71.00
opbend     16     14     21     21   71.00
opbend     17     12     14     19    7.05
opbend     17     21     14     19    7.05
opbend     18      1      1      8    5.87
opbend     18      2      7      9    8.88
opbend     19     12     14     14    7.47
opbend     19     12     14     17    7.05
opbend     19     21     14     14    7.47
opbend     19     21     14     17    7.05
opbend     20      6      6     14    8.50
opbend     21      6      6      9   13.05
opbend     21      6      9     13   10.31
opbend     21     14      1     16   13.16
opbend     21     14      6     16   12.64
opbend     21     14      8     16   12.62
opbend     21     14     12     16    7.50
opbend     21     14     16     21    7.50
opbend     21     17      5      8   12.45
opbend     26      4      1      2    8.11
opbend     26     12      6     14    2.17
opbend     26     18      1      2    8.11
opbend     26     21      6     14    2.17
opbend     34      4      1      2    8.11
opbend     34     12      6     14    2.17
opbend     34     18      1      2    8.11
opbend     34     21      6     14    2.17

pitors      1      1  4.00
pitors      1      3  4.00
pitors      1      4  6.00
pitors      1     14  3.00
pitors      1     18  6.00
pitors      2      4  6.00
pitors      2     18  6.00
pitors      3      5  6.00
pitors      3     13  4.00
pitors      5     17  4.00
pitors      6      6  4.00
pitors      6     12  3.00
pitors      6     13  4.00
pitors      6     14  3.00
pitors      6     21  3.00
pitors     12     14  3.00
pitors     12     17  3.00
pitors     14     21  3.00
pitors     17     21  3.00

polarize      1   1.75000  0.39000      4      5      6     10
polarize      2   1.75000  0.39000      5      6      9     12
polarize      3   2.25000  0.39000      4      7     11
polarize      4   2.25000  0.39000      1      3      9
polarize      5   1.07300  0.39000      1      2
polarize      6   1.07300  0.39000      1      2
polarize      7   1.45000  0.39000      3     14
polarize      8   1.75000  0.39000     10     11     13
polarize      9   1.45000  0.39000      2      4
polarize     10   1.45000  0.39000      1      8
polarize     11   1.45000  0.39000      3      8
polarize     12   0.69600  0.39000      2
polarize     13   0.69600  0.39000      8
polarize     14   0.69600  0.39000      7
polarize     15   1.07300  0.39000     19     20
polarize     16   1.07300  0.39000     19     20
polarize     17   1.75000  0.39000     19     21     23
polarize     18   1.45000  0.39000     21     26
polarize     19   1.75000  0.39000     15     16     17     25
polarize     20   1.75000  0.39000     15     16     22     24
polarize     21   1.75000  0.39000     17     18     22
polarize     22   1.45000  0.39000     20     21
polarize     23   0.69600  0.39000     17
polarize     24   1.30000  0.39000     20
polarize     25   0.69600  0.39000     19
polarize     26   0.69600  0.39000     18
polarize     27   1.75000  0.39000     31     32     37
polarize     28   1.75000  0.39000     31     33     39
polarize     29   2.25000  0.39000     33     34     35     37
polarize     30   1.75000  0.39000     34     35     36     40
polarize     31   1.07300  0.39000     27     28     38
polarize     32   1.45000  0.39000     27     41
polarize     33   2.25000  0.39000     28     29     36
polarize     34   1.07300  0.39000     29     30
polarize     35   1.07300  0.39000     29     30
polarize     36   1.45000  0.39000     30     33
polarize     37   1.45000  0.39000     27     29
polarize     38   0.49600  0.39000     31
polarize     39   1.30000  0.39000     28
polarize     40   0.69600  0.39000     30
polarize     41   0.69600  0.39000     32
polarize     42   1.33400  0.39000     43     49
polarize     43   1.75000  0.39000     42     44     45
polarize     44   1.75000  0.39000     43     47     52
polarize     45   1.75000  0.39000     43     46     51
polarize     46   1.07300  0.39000     45     48
polarize     47   1.07300  0.39000     44     48     53
polarize     48   1.75000  0.39000     46     47     50
polarize     49   0.49600  0.39000     42
polarize     50   1.30000  0.39000     48
polarize     51   0.69600  0.39000     45
polarize     52   1.30000  0.39000     44
polarize     53   0.49600  0.39000     47
polarize     54   1.75000  0.39000     57     58     62
polarize     55   1.75000  0.39000     58     59     64
polarize     56   1.75000  0.39000     57     59     63
polarize     57   1.07300  0.39000     54     56     60
polarize     58   1.07300  0.39000     54     55
polarize     59   1.75000  0.39000     55     56     61
polarize     60   0.49600  0.39000     57
polarize     61   0.69600  0.39000     59
polarize     62   1.30000  0.39000     54
polarize     63   1.30000  0.39000     56
polarize     64   0.69600  0.39000     55
polarize     65   0.83700  0.39000     66     68
polarize     66   1.33400  0.39000     65     67
polarize     67   0.49600  0.39000     66
polarize     68   1.33400  0.39000     65     69
polarize     69   0.49600  0.39000     68
polarize     70   1.33400  0.39000     71     74
polarize     71   0.49600  0.39000     70
polarize     72   1.33400  0.39000     73     76    100
polarize     73   0.49600  0.39000     72
polarize     74   0.83700  0.39000     70     75
polarize     75   0.49600  0.39000     74
polarize     76   0.83700  0.39000     72     97
polarize     77   0.49600  0.39000    100
polarize     78   1.33400  0.39000     79     80     99
polarize     79   0.49600  0.39000     78
polarize     80   0.83700  0.39000     78     97
polarize     81   0.49600  0.39000     99
polarize     82   1.33400  0.39000     86     90
polarize     83   1.33400  0.39000     89     92    101
polarize     84   1.33400  0.39000     87
polarize     85   1.33400  0.39000     86     88
polarize     86   0.83700  0.39000     82     85
polarize     87   0.49600  0.39000     84
polarize     88   0.49600  0.39000     85
polarize     89   0.49600  0.39000     83
polarize     90   0.49600  0.39000     82
polarize     91   1.33400  0.39000     94     95    102
polarize     92   0.83700  0.39000     83     97
polarize     93   0.49600  0.39000    101
polarize     94   0.49600  0.39000     91
polarize     95   0.83700  0.39000     91     97
polarize     96   0.49600  0.39000    102
polarize     97   1.78800  0.39000     76     80     92     95     98
polarize     98   1.72400  0.39000     97
polarize     99   0.83700  0.39000     78     81
polarize    100   0.83700  0.39000     72     77
polarize    101   0.83700  0.39000     83     93
polarize    102   0.83700  0.39000     91     96
polarize    103   0.83700  0.39000    104
polarize    104   0.49600  0.39000    103
polarize    105   0.02800  0.39000
polarize    106   0.12000  0.39000
polarize    107   0.78000  0.39000
polarize    108   1.35000  0.39000
polarize    109   2.26000  0.39000
polarize    110   0.01000  0.06500
polarize    111   0.08000  0.11500
polarize    112   0.55000  0.18000
polarize    113   0.82000  0.16500
polarize    114   1.51000  0.30000
polarize    115   0.26000  0.20960
polarize    116   1.35000  0.39000
polarize    117   4.00000  0.39000
polarize    118   5.65000  0.39000
polarize    119   7.25000  0.39000

solute     1   3.8585   3.7660  3.8448
solute     2   3.8585   3.7660  3.8448
solute     3   3.8585   3.7660  3.8448
solute     4   3.8585   3.7660  3.8448
solute     5   3.6017   4.0340  3.4613
solute     6   3.6017   4.0340  3.4613
solute     7   3.4243   3.4910  4.2676
solute     8   3.8585   3.7660  3.8448
solute     9   3.6017   4.0340  3.4613
solute    10   3.6017   4.0340  3.4613
solute    11   3.6017   4.0340  3.4613
solute    12   2.9059   2.6020  2.5726
solute    13   2.9059   2.6020  2.5726
solute    14   2.9089   2.8360  3.5214
solute    15   3.6017   4.0340  3.4613
solute    16   3.6017   4.0340  3.4613
solute    17   3.8585   3.7660  3.8448
solute    18   3.4243   3.4910  4.2676
solute    19   3.8585   3.7660  3.8448
solute    20   3.8585   3.7660  3.8448
solute    21   3.8585   3.7660  3.8448
solute    22   3.6017   4.0340  3.4613
solute    23   3.0020   2.6350  3.3763
solute    24   2.9835   3.3560  2.9616
solute    25   2.9059   2.6020  2.5726
solute    26   2.9089   2.8360  3.5214
solute    27   3.8585   3.7660  3.8448
solute    28   3.8585   3.7660  3.8448
solute    29   3.8585   3.7660  3.8448
solute    30   3.8585   3.7660  3.8448
solute    31   3.6017   4.0340  3.4613
solute    32   3.4243   3.4910  4.2676
solute    33   3.8585   3.7660  3.8448
solute    34   3.6017   4.0340  3.4613
solute    35   3.6017   4.0340  3.4613
solute    36   3.6017   4.0340  3.4613
solute    37   3.6017   4.0340  3.4613
solute    38   2.9089   2.8360  3.5214
solute    39   2.9835   3.3560  2.9616
solute    40   2.9059   2.6020  2.5726
solute    41   2.9089   2.8360  3.5214
solute    42   3.5062   3.3090  4.5360
solute    43   3.8585   3.7660  3.8448
solute    44   3.8585   3.7660  3.8448
solute    45   3.8585   3.7660  3.8448
solute    46   3.6017   4.0340  3.4613
solute    47   3.6017   4.0340  3.4613
solute    48   3.8585   3.7660  3.8448
solute    49   3.0556   2.9960  4.0320
solute    50   2.9835   3.3560  2.9616
solute    51   2.9059   2.6020  2.5726
solute    52   2.9835   3.3560  2.9616
solute    53   2.9089   2.8360  3.5214
solute    54   3.8585   3.7660  3.8448
solute    55   3.8585   3.7660  3.8448
solute    56   3.8585   3.7660  3.8448
solute    57   3.6017   4.0340  3.4613
solute    58   3.6017   4.0340  3.4613
solute    59   3.8585   3.7660  3.8448
solute    60   2.9089   2.8360  3.5214
solute    61   3.0020   2.6350  3.3763
solute    62   2.9835   3.3560  2.9616
solute    63   2.9835   3.3560  2.9616
solute    64   2.9059   2.6020  2.5726
solute    65   3.1684   3.1340  3.0999
solute    66   3.3967   3.2550  4.7385
solute    67   2.9089   2.8360  3.5214
solute    68   3.3025   2.8540  4.9016
solute    69   2.9089   2.8360  3.5214
solute    70   3.3967   3.2550  4.7385
solute    71   3.6491   3.4040  2.9894
solute    72   3.3967   3.2550  4.7385
solute    73   3.6491   3.4040  2.9894
solute    74   3.1684   3.1340  3.0999
solute    75   2.6533   3.3920  2.9044
solute    76   3.1684   3.1340  3.0999
solute    77   2.6533   3.3920  2.9044
solute    78   3.3025   2.8540  4.9016
solute    79   3.0205   3.8850  4.0505
solute    80   3.1684   3.1340  3.0999
solute    81   2.6533   3.3920  2.9044
solute    82   3.3967   3.2550  4.7385
solute    83   3.3967   3.2550  4.7385
solute    84   3.3967   3.2550  4.7385
solute    85   3.3025   2.8540  4.9016
solute    86   3.1684   3.1340  3.0999
solute    87   3.0205   3.8850  4.0505
solute    88   2.9089   2.8360  3.5214
solute    89   3.6491   3.4040  2.9894
solute    90   2.9089   2.8360  3.5214
solute    91   3.3025   2.8540  4.9016
solute    92   3.1684   3.1340  3.0999
solute    93   2.6533   3.3920  2.9044
solute    94   3.0205   3.8850  4.0505
solute    95   3.1684   3.1340  3.0999
solute    96   2.6533   3.3920  2.9044
solute    97   4.8697   4.3530  4.0816
solute    98   2.8010   3.1280  2.9814
solute    99   2.8010   3.1280  2.9814
solute   100   2.8010   3.1280  2.9814
solute   101   2.8010   3.1280  2.9814
solute   102   2.8010   3.1280  2.9814
solute   103   3.1243   2.9060  2.7947
solute   104   2.5740   2.7580  2.9054
solute   105   2.7880   2.7880  2.7377
solute   106   3.5320   3.5320  3.4626
solute   107   4.3060   4.3060  4.1973
solute   108   4.6200   4.6200  4.4904
solute   109   4.9980   4.9980  4.8384
solute   110   1.8800   1.8800  1.8800
solute   111   3.0150   3.0150  2.9912
solute   112   3.6670   3.6670  3.6336
solute   115   2.8100   2.8100  2.7868
solute   116   2.7710   2.7710  2.7217
solute   117   3.7200   3.7200  3.6256
solute   118   4.0210   4.0210  3.9079
solute   119   4.4960   4.4960  4.3458

strbnd      1      1      3   18.70   18.70
strbnd      1      1      4   18.70   18.70
strbnd      1      1      7   18.70   18.70
strbnd      1      1      8   18.70   18.70
strbnd      1      1     14   18.70   18.70
strbnd      1      1     18   18.70   18.70
strbnd      3      1      7   18.70   18.70
strbnd      4      1      8   18.70   18.70
strbnd      7      1     14   18.70   18.70
strbnd      8      1     18   18.70   18.70
strbnd      4      2      7   18.70   18.70
strbnd      4      2      9   11.50   11.50
strbnd      7      2      9   11.50   11.50
strbnd      7      2     18   18.70   18.70
strbnd      9      2     18   11.50   11.50
strbnd      1      3      5   18.70   18.70
strbnd      1      3      8   18.70   18.70
strbnd      5      3      8   18.70   18.70
strbnd      5      3     13   18.70   18.70
strbnd      8      3     13   18.70   18.70
strbnd      1      4      2   14.40   14.40
strbnd      1      4     26   14.40   14.40
strbnd      1      4     34   14.40   14.40
strbnd      2      4     26   14.40   14.40
strbnd      2      4     34   14.40   14.40
strbnd      3      5     11    4.30    4.30
strbnd     11      5     11    4.30    4.30
strbnd     11      5     17    4.30    4.30
strbnd      6      6      9   11.50   11.50
strbnd      6      6     10   18.70   18.70
strbnd      6      6     12   18.70   18.70
strbnd      6      6     14   18.70   18.70
strbnd      6      6     20   18.70   18.70
strbnd      6      6     21   18.70   18.70
strbnd      8      6      8   18.70   18.70
strbnd      8      6     10   18.70   18.70
strbnd      8      6     13   18.70   18.70
strbnd      9      6     12   11.50   11.50
strbnd      9      6     13   11.50   11.50
strbnd      9      6     21   11.50   11.50
strbnd     10      6     14   18.70   18.70
strbnd     12      6     13   18.70   18.70
strbnd     13      6     21   18.70   18.70
strbnd     14      6     20   18.70   18.70
strbnd      1      7      2   14.40   14.40
strbnd      1      8      6   14.40   14.40
strbnd      1      8     17   14.40   14.40
strbnd      3      8      6   14.40   14.40
strbnd      3      8     14   14.40   14.40
strbnd      6      8      6   14.40   14.40
strbnd      6     12     14   14.40   14.40
strbnd      6     12     19    4.30    4.30
strbnd      6     12     26   14.40   14.40
strbnd      6     12     34   14.40   14.40
strbnd     14     12     14    7.20    7.20
strbnd     14     12     17    7.20    7.20
strbnd     14     12     19    4.30    4.30
strbnd     14     12     26   14.40   14.40
strbnd     14     12     34   14.40   14.40
strbnd     17     12     19    4.30    4.30
strbnd      3     13      6   18.70   18.70
strbnd      3     13     13   18.70   18.70
strbnd      3     13     15   18.70   18.70
strbnd      5     13     13   18.70   18.70
strbnd      6     13      6   18.70   18.70
strbnd      6     13     15   18.70   18.70
strbnd      1     14     12   18.70   18.70
strbnd      1     14     16   18.70   18.70
strbnd      1     14     21   18.70   18.70
strbnd      6     14     12   18.70   18.70
strbnd      6     14     16   18.70   18.70
strbnd      6     14     21   18.70   18.70
strbnd      8     14     12   18.70   18.70
strbnd      8     14     16   18.70   18.70
strbnd     12     14     12   18.70   18.70
strbnd     12     14     16   18.70   18.70
strbnd     12     14     21   18.70   18.70
strbnd     16     14     21   18.70   18.70
strbnd     21     14     21   18.70   18.70
strbnd      5     17      8   18.70   18.70
strbnd      5     17     12   18.70   18.70
strbnd      5     17     21   18.70   18.70
strbnd      8     17     12   18.70   18.70
strbnd      1     18      2   14.40   14.40
strbnd      1     18     26   14.40   14.40
strbnd      1     18     34   14.40   14.40
strbnd      2     18     26   14.40   14.40
strbnd      2     18     34   14.40   14.40
strbnd      6     20     22   11.50   11.50
strbnd     22     20     22   11.50   11.50
strbnd      6     21     14    7.20    7.20
strbnd      6     21     19    4.30    4.30
strbnd      6     21     26   14.40   14.40
strbnd      6     21     34   14.40   14.40
strbnd     14     21     14   18.70   18.70
strbnd     14     21     19    4.30    4.30
strbnd     14     21     26   14.40   14.40
strbnd     14     21     34   14.40   14.40
strbnd     23     24     25   11.50   11.50
strbnd     23     24     26   18.70   18.70
strbnd     23     24     30   18.70   18.70
strbnd     25     24     26   11.50   11.50
strbnd     25     24     30   11.50   11.50
strbnd     26     24     27   18.70   18.70
strbnd     26     24     30   18.70   18.70
strbnd      4     26     23   18.70   18.70
strbnd      4     26     25   11.50   11.50
strbnd      4     26     26   18.70   18.70
strbnd     12     26     23   18.70   18.70
strbnd     12     26     25   11.50   11.50
strbnd     12     26     26   18.70   18.70
strbnd     18     26     23   18.70   18.70
strbnd     18     26     25   11.50   11.50
strbnd     18     26     26   18.70   18.70
strbnd     21     26     23   18.70   18.70
strbnd     21     26     25   11.50   11.50
strbnd     21     26     26   18.70   18.70
strbnd     23     26     25   11.50   11.50
strbnd     23     26     26   18.70   18.70
strbnd     24     26     25   11.50   11.50
strbnd     24     26     26   18.70   18.70
strbnd     24     26     29   18.70   18.70
strbnd     24     26     45   18.70   18.70
strbnd     25     26     26   11.50   11.50
strbnd     25     26     27   11.50   11.50
strbnd     25     26     29   11.50   11.50
strbnd     25     26     45   11.50   11.50
strbnd     26     26     26   18.70   18.70
strbnd     26     26     27   18.70   18.70
strbnd     26     26     29   18.70   18.70
strbnd     26     26     45   18.70   18.70
strbnd     24     30     31   11.50   11.50
strbnd     24     30     32   18.70   18.70
strbnd     24     30     44   18.70   18.70
strbnd     31     30     32   11.50   11.50
strbnd     31     30     44   11.50   11.50
strbnd     30     32     42   14.40   14.40
strbnd     34     33     35   18.70   18.70
strbnd     34     33     36   11.50   11.50
strbnd     34     33     37   18.70   18.70
strbnd     35     33     36   11.50   11.50
strbnd     35     33     37   18.70   18.70
strbnd     36     33     37   11.50   11.50
strbnd      4     34     34   18.70   18.70
strbnd      4     34     35   18.70   18.70
strbnd      4     34     36   11.50   11.50
strbnd     12     34     34   18.70   18.70
strbnd     12     34     35   18.70   18.70
strbnd     12     34     36   11.50   11.50
strbnd     18     34     34   18.70   18.70
strbnd     18     34     35   18.70   18.70
strbnd     18     34     36   11.50   11.50
strbnd     21     34     34   18.70   18.70
strbnd     21     34     35   18.70   18.70
strbnd     21     34     36   11.50   11.50
strbnd     33     34     34   18.70   18.70
strbnd     33     34     36   11.50   11.50
strbnd     33     34     38   18.70   18.70
strbnd     33     34     46   18.70   18.70
strbnd     34     34     34   18.70   18.70
strbnd     34     34     35   18.70   18.70
strbnd     34     34     36   11.50   11.50
strbnd     34     34     38   18.70   18.70
strbnd     34     34     46   18.70   18.70
strbnd     35     34     36   11.50   11.50
strbnd     36     34     38   11.50   11.50
strbnd     36     34     46   11.50   11.50
strbnd     33     37     40   11.50   11.50
strbnd     33     37     41   18.70   18.70
strbnd     33     37     47   18.70   18.70
strbnd     40     37     41   11.50   11.50
strbnd     40     37     47   11.50   11.50
strbnd     37     41     42   14.40   14.40

strtors      2      4     26     23   0.000   0.000   1.500   0.000   0.000  -4.000   0.000   0.000   5.200
strtors      2      4     34     35   0.000   0.000   1.500   0.000   0.000  -4.000   0.000   0.000   5.200
strtors      6     12     26     23   0.000   0.000   1.500   0.000   0.000  -4.000   0.000   0.000   5.200
strtors      6     12     34     35   0.000   0.000   1.500   0.000   0.000  -4.000   0.000   0.000   5.200
strtors      2     18     26     23   0.000   0.000   1.500   0.000   0.000  -4.000   0.000   0.000   5.200
strtors      2     18     34     35   0.000   0.000   1.500   0.000   0.000  -4.000   0.000   0.000   5.200
strtors      6     21     26     23   0.000   0.000   1.500   0.000   0.000  -4.000   0.000   0.000   5.200
strtors      6     21     34     35   0.000   0.000   1.500   0.000   0.000  -4.000   0.000   0.000   5.200
strtors     26     29     42     32   0.000   0.000   0.000   0.000   1.814   0.000  -4.254   0.000   0.000
strtors     30     32     42     29   0.000   0.000   0.000   0.000   1.814   0.000  -4.254   0.000   0.000
strtors     34     38     42     41   0.000   0.000   0.000   0.000   1.814   0.000  -4.254   0.000   0.000
strtors     37     41     42     38   0.000   0.000   0.000   0.000   1.814   0.000  -4.254   0.000   0.000

torsion     3     1     1     4   3.696 180.000 2
torsion     3     1     1     8   3.584 180.000 2
torsion     4     1     1     7   3.810 180.000 2
torsion     4     1     1    14   3.595 180.000 2
torsion     7     1     1     8   2.777 180.000 2
torsion     7     1     1    18  12.635 180.000 2
torsion     8     1     1    14   3.540 180.000 2
torsion    14     1     1    18   3.595 180.000 2
torsion     1     1     3     5   9.885 180.000 2
torsion     1     1     3     8   4.256 180.000 2
torsion     7     1     3     5   3.777 180.000 2
torsion     7     1     3     8   3.776 180.000 2
torsion     1     1     4     2  14.189 180.000 2
torsion     1     1     4    26   3.551 180.000 2
torsion     1     1     4    34   3.551 180.000 2
torsion     8     1     4     2   3.031 180.000 2
torsion     8     1     4    26   2.502 180.000 2
torsion     8     1     4    34   2.502 180.000 2
torsion     1     1     7     2  20.157 180.000 2
torsion     3     1     7     2   3.485 180.000 2
torsion    14     1     7     2   3.441 180.000 2
torsion     1     1     8     6  10.504 180.000 2
torsion     1     1     8    17   7.861 180.000 2
torsion     4     1     8     6  11.410 180.000 2
torsion    18     1     8    17  13.900 180.000 2
torsion     1     1    14    12   7.980 180.000 2
torsion     1     1    14    16   6.051 180.000 2
torsion     1     1    14    21   7.980 180.000 2
torsion     7     1    14    12   3.810 180.000 2
torsion     7     1    14    16   3.810 180.000 2
torsion     7     1    14    21   3.810 180.000 2
torsion     1     1    18     2  14.189 180.000 2
torsion     1     1    18    26   3.551 180.000 2
torsion     1     1    18    34   3.551 180.000 2
torsion     8     1    18     2   3.031 180.000 2
torsion     8     1    18    26   2.502 180.000 2
torsion     8     1    18    34   2.502 180.000 2
torsion     7     2     4     1  26.463 180.000 2
torsion     7     2     4    26   3.014 180.000 2
torsion     7     2     4    34   3.014 180.000 2
torsion     9     2     4     1   3.590 180.000 2
torsion     9     2     4    26   2.075 180.000 2
torsion     9     2     4    34   2.075 180.000 2
torsion     4     2     7     1  26.315 180.000 2
torsion     9     2     7     1   7.650 180.000 2
torsion    18     2     7     1  26.315 180.000 2
torsion     7     2    18     1  26.463 180.000 2
torsion     7     2    18    26   3.014 180.000 2
torsion     7     2    18    34   3.014 180.000 2
torsion     9     2    18     1   3.590 180.000 2
torsion     9     2    18    26   2.075 180.000 2
torsion     9     2    18    34   2.075 180.000 2
torsion     1     3     5    11   1.885 180.000 2
torsion     8     3     5    11   0.622 180.000 2
torsion    13     3     5    11   2.075 180.000 2
torsion     1     3     8     6   9.537 180.000 2
torsion     5     3     8     6  11.976 180.000 2
torsion     5     3     8    14  17.562 180.000 2
torsion    13     3     8    14   3.856 180.000 2
torsion     5     3    13     6   4.702 180.000 2
torsion     5     3    13    15   4.163 180.000 2
torsion     8     3    13     6   8.735 180.000 2
torsion     8     3    13    15   4.043 180.000 2
torsion     1     4    26    23   0.871   0.000 1  -0.939 180.000 2   2.324   0.000 3
torsion     1     4    26    25  -0.200   0.000 1  -0.272 180.000 2   0.741   0.000 3
torsion     1     4    26    26  -0.661   0.000 1   0.186 180.000 2  -1.167   0.000 3
torsion     2     4    26    23  -1.147   0.000 1  -1.082 180.000 2  -0.750   0.000 3
torsion     2     4    26    25   0.108   0.000 1  -0.262 180.000 2  -0.427   0.000 3
torsion     2     4    26    26   0.233   0.000 1   0.289 180.000 2   2.754   0.000 3
torsion     1     4    34    34  -0.221   0.000 1   1.258 180.000 2   0.971   0.000 3
torsion     1     4    34    35   0.648   0.000 1  -0.088 180.000 2  -0.233   0.000 3
torsion     1     4    34    36   1.075   0.000 1  -0.251 180.000 2   0.302   0.000 3
torsion     2     4    34    34  -1.675   0.000 1  -0.401 180.000 2   1.310   0.000 3
torsion     2     4    34    35  -0.771   0.000 1  -0.276 180.000 2   1.758   0.000 3
torsion     2     4    34    36  -0.237   0.000 1   1.294 180.000 2  -0.128   0.000 3
torsion    11     5    17     8   1.303 180.000 2
torsion    11     5    17    12   1.071 180.000 2
torsion     9     6     6    10   3.699 180.000 2
torsion     9     6     6    14   3.682 180.000 2
torsion     9     6     6    20   4.026 180.000 2
torsion    10     6     6    21   3.941 180.000 2
torsion    14     6     6    21   3.925 180.000 2
torsion    20     6     6    21  10.272 180.000 2
torsion     8     6     8     1   7.259 180.000 2
torsion     8     6     8     3   7.710 180.000 2
torsion    10     6     8     1  14.604 180.000 2
torsion    10     6     8     3  13.794 180.000 2
torsion     6     6    12    26   3.925 180.000 2
torsion     6     6    12    34   3.925 180.000 2
torsion     9     6    12    14   5.896 180.000 2
torsion     9     6    12    26   4.904 180.000 2
torsion     9     6    12    34   4.904 180.000 2
torsion    13     6    12    14   3.971 180.000 2
torsion    13     6    12    26   6.856 180.000 2
torsion    13     6    12    34   6.856 180.000 2
torsion     9     6    13     3   4.730 180.000 2
torsion     9     6    13    15   3.311 180.000 2
torsion    12     6    13     3   8.884 180.000 2
torsion    12     6    13    15   5.035 180.000 2
torsion    21     6    13    15   5.035 180.000 2
torsion     6     6    14    12   3.890 180.000 2
torsion     6     6    14    16   3.872 180.000 2
torsion     6     6    14    21   3.890 180.000 2
torsion    10     6    14    12   9.149 180.000 2
torsion    10     6    14    16   4.789 180.000 2
torsion    20     6    14    12   9.439 180.000 2
torsion    20     6    14    16   4.645 180.000 2
torsion    20     6    14    21   9.439 180.000 2
torsion     6     6    20    22   2.400 180.000 2
torsion    14     6    20    22   0.283 180.000 2   0.494   0.000 3
torsion     6     6    21    14   7.148 180.000 2
torsion     6     6    21    26   3.925 180.000 2
torsion     6     6    21    34   3.925 180.000 2
torsion     9     6    21    14   5.896 180.000 2
torsion     9     6    21    26   4.904 180.000 2
torsion     9     6    21    34   4.904 180.000 2
torsion    13     6    21    14   3.971 180.000 2
torsion    13     6    21    26   6.856 180.000 2
torsion    13     6    21    34   6.856 180.000 2
torsion     3     8    14    12   3.798 180.000 2
torsion     3     8    14    16  17.613 180.000 2
torsion     1     8    17     5  16.908 180.000 2
torsion     1     8    17    12   4.852 180.000 2
torsion     6    12    14     8   3.774 180.000 2
torsion     6    12    14    16   3.231 180.000 2
torsion    14    12    14     6   3.659 180.000 2
torsion    14    12    14    16   3.572 180.000 2
torsion    14    12    14    21   3.511 180.000 2
torsion    17    12    14     1   3.649 180.000 2
torsion    17    12    14    16   3.730 180.000 2
torsion    19    12    14     1   3.812 180.000 2
torsion    19    12    14     6   3.666 180.000 2
torsion    19    12    14    16  10.490 180.000 2
torsion    19    12    14    21   3.869 180.000 2
torsion    26    12    14     8   4.295 180.000 2
torsion    26    12    14    12   3.986 180.000 2
torsion    26    12    14    16  10.374 180.000 2
torsion    26    12    14    21   3.986 180.000 2
torsion    34    12    14     8   4.295 180.000 2
torsion    34    12    14    12   3.986 180.000 2
torsion    34    12    14    16  10.374 180.000 2
torsion    34    12    14    21   3.986 180.000 2
torsion    14    12    17     5   3.924 180.000 2
torsion    14    12    17     8   3.854 180.000 2
torsion    19    12    17     5   3.777 180.000 2
torsion    19    12    17     8   3.928 180.000 2
torsion     6    12    26    23  -2.316   0.000 1   0.596 180.000 2  -0.493   0.000 3
torsion     6    12    26    25   1.107   0.000 1  -0.142 180.000 2  -0.178   0.000 3
torsion     6    12    26    26  -2.163   0.000 1   0.794 180.000 2   1.420   0.000 3
torsion    14    12    26    23   3.068   0.000 1   0.722 180.000 2   1.339   0.000 3
torsion    14    12    26    25  -0.988   0.000 1  -0.186 180.000 2   0.346   0.000 3
torsion    14    12    26    26   2.890   0.000 1   0.880 180.000 2  -0.605   0.000 3
torsion     6    12    34    34   0.819   0.000 1   3.809 180.000 2  -0.110   0.000 3
torsion     6    12    34    35  -3.184   0.000 1  -2.234 180.000 2
torsion     6    12    34    36  -0.480   0.000 1  -0.684 180.000 2  -0.281   0.000 3
torsion    14    12    34    34   0.044   0.000 1   0.571 180.000 2  -0.102   0.000 3
torsion    14    12    34    35   4.300   0.000 1  -1.454 180.000 2  -0.052   0.000 3
torsion    14    12    34    36  -0.945   0.000 1   2.121 180.000 2   0.337   0.000 3
torsion     1    14    21    19   3.812 180.000 2
torsion     6    14    21    14   3.659 180.000 2
torsion     8    14    21     6   3.774 180.000 2
torsion     8    14    21    26   4.295 180.000 2
torsion     8    14    21    34   4.295 180.000 2
torsion    12    14    21     6   3.856 180.000 2
torsion    12    14    21    26   3.986 180.000 2
torsion    12    14    21    34   3.986 180.000 2
torsion    16    14    21     6   3.231 180.000 2
torsion    16    14    21    14   3.572 180.000 2
torsion    16    14    21    19  10.490 180.000 2
torsion    16    14    21    26  10.374 180.000 2
torsion    16    14    21    34  10.374 180.000 2
torsion    21    14    21    26   3.986 180.000 2
torsion    21    14    21    34   3.986 180.000 2
torsion     1    18    26    23   0.871   0.000 1  -0.939 180.000 2   2.324   0.000 3
torsion     1    18    26    25  -0.200   0.000 1  -0.272 180.000 2   0.741   0.000 3
torsion     1    18    26    26  -0.661   0.000 1   0.186 180.000 2  -1.167   0.000 3
torsion     2    18    26    23  -1.147   0.000 1  -1.082 180.000 2  -0.750   0.000 3
torsion     2    18    26    25   0.108   0.000 1  -0.262 180.000 2  -0.427   0.000 3
torsion     2    18    26    26   0.233   0.000 1   0.289 180.000 2   2.754   0.000 3
torsion     1    18    34    34  -0.221   0.000 1   1.258 180.000 2   0.971   0.000 3
torsion     1    18    34    35   0.648   0.000 1  -0.088 180.000 2  -0.233   0.000 3
torsion     1    18    34    36   1.075   0.000 1  -0.251 180.000 2   0.302   0.000 3
torsion     2    18    34    34  -1.675   0.000 1  -0.401 180.000 2   1.310   0.000 3
torsion     2    18    34    35  -0.771   0.000 1  -0.276 180.000 2   1.758   0.000 3
torsion     2    18    34    36  -0.237   0.000 1   1.294 180.000 2  -0.128   0.000 3
torsion     6    21    26    23  -2.316   0.000 1   0.596 180.000 2  -0.493   0.000 3
torsion     6    21    26    25   1.107   0.000 1  -0.142 180.000 2  -0.178   0.000 3
torsion     6    21    26    26  -2.163   0.000 1   0.794 180.000 2   1.420   0.000 3
torsion    14    21    26    23   3.068   0.000 1   0.722 180.000 2   1.339   0.000 3
torsion    14    21    26    25  -0.988   0.000 1  -0.186 180.000 2   0.346   0.000 3
torsion    14    21    26    26   2.890   0.000 1   0.880 180.000 2  -0.605   0.000 3
torsion     6    21    34    34   0.819   0.000 1   3.809 180.000 2   0.604   0.000 3
torsion     6    21    34    35  -3.184   0.000 1  -2.234 180.000 2
torsion     6    21    34    36  -0.480   0.000 1  -0.684 180.000 2  -0.282   0.000 3
torsion    14    21    34    34   0.044   0.000 1   0.571 180.000 2  -0.516   0.000 3
torsion    14    21    34    35   4.300   0.000 1  -1.454 180.000 2  -0.052   0.000 3
torsion    14    21    34    36  -0.945   0.000 1   2.121 180.000 2   0.337   0.000 3
torsion    26    23    24    25  -0.161   0.000 1  -0.026 180.000 2   0.277   0.000 3
torsion    26    23    24    26  -0.563   0.000 1   0.770 180.000 2  -0.322   0.000 3
torsion    26    23    24    30  -0.791   0.000 1  -0.829 180.000 2   1.101   0.000 3
torsion    24    23    26     4   0.245   0.000 1  -0.367 180.000 2   0.305   0.000 3
torsion    24    23    26    12  -0.444   0.000 1  -1.457 180.000 2   1.051   0.000 3
torsion    24    23    26    18   0.245   0.000 1  -0.367 180.000 2   0.305   0.000 3
torsion    24    23    26    21  -0.444   0.000 1  -1.457 180.000 2   1.051   0.000 3
torsion    24    23    26    25  -0.135   0.000 1   0.678 180.000 2   0.846   0.000 3
torsion    24    23    26    26  -0.320   0.000 1  -0.209 180.000 2   0.318   0.000 3
torsion    23    24    26    25  -0.182   0.000 1  -0.745 180.000 2   0.727   0.000 3
torsion    23    24    26    26  -0.702   0.000 1  -0.307 180.000 2   2.879   0.000 3
torsion    23    24    26    29   1.164   0.000 1   0.732 180.000 2  -0.836   0.000 3
torsion    23    24    26    45   1.164   0.000 1   0.732 180.000 2  -0.836   0.000 3
torsion    25    24    26    25   0.081   0.000 1  -0.066 180.000 2   0.422   0.000 3
torsion    25    24    26    26  -0.190   0.000 1  -0.101 180.000 2   0.543   0.000 3
torsion    25    24    26    29   0.006   0.000 1  -0.170 180.000 2  -0.168   0.000 3
torsion    25    24    26    45   0.006   0.000 1  -0.170 180.000 2  -0.168   0.000 3
torsion    30    24    26    25  -0.265   0.000 1   0.360 180.000 2  -0.039   0.000 3
torsion    30    24    26    26  -0.483   0.000 1  -1.984 180.000 2   0.091   0.000 3
torsion    30    24    26    29   1.090   0.000 1   3.549 180.000 2  -1.833   0.000 3
torsion    30    24    26    45   1.090   0.000 1   3.549 180.000 2  -1.833   0.000 3
torsion    23    24    30    31   0.257 180.000 2   0.096   0.000 3
torsion    23    24    30    32   1.333   0.000 1  -1.311 180.000 2
torsion    23    24    30    44   1.333   0.000 1  -1.311 180.000 2
torsion    25    24    30    31   0.133   0.000 3
torsion    25    24    30    32   0.287 180.000 2   0.132   0.000 3
torsion    25    24    30    44   0.287 180.000 2   0.132   0.000 3
torsion    26    24    30    31   0.136   0.000 3
torsion    26    24    30    32  -0.401   0.000 1   0.496 180.000 2   2.714   0.000 3
torsion    26    24    30    44  -0.401   0.000 1   0.496 180.000 2   2.714   0.000 3
torsion     4    26    26    25  -0.125   0.000 1   0.021 180.000 2  -0.086   0.000 3
torsion     4    26    26    26  -1.702   0.000 1   0.379 180.000 2   0.262   0.000 3
torsion     4    26    26    27   0.677   0.000 1   0.358 180.000 2   1.781   0.000 3
torsion    12    26    26    25   0.151   0.000 1  -0.318 180.000 2   0.229   0.000 3
torsion    12    26    26    26   1.331   0.000 1  -0.470 180.000 2  -0.535   0.000 3
torsion    12    26    26    27  -1.812   0.000 1   1.755 180.000 2   0.933   0.000 3
torsion    18    26    26    25  -0.125   0.000 1   0.021 180.000 2  -0.086   0.000 3
torsion    18    26    26    26  -1.702   0.000 1   0.379 180.000 2   0.262   0.000 3
torsion    18    26    26    27   0.677   0.000 1   0.358 180.000 2   1.781   0.000 3
torsion    21    26    26    25   0.151   0.000 1  -0.318 180.000 2   0.229   0.000 3
torsion    21    26    26    26   1.331   0.000 1  -0.470 180.000 2  -0.535   0.000 3
torsion    21    26    26    27  -1.812   0.000 1   1.755 180.000 2   0.933   0.000 3
torsion    23    26    26    25   0.005   0.000 1   0.133 180.000 2  -0.244   0.000 3
torsion    23    26    26    26  -0.734   0.000 1   0.779 180.000 2  -1.058   0.000 3
torsion    23    26    26    27   0.016   0.000 1  -0.949 180.000 2   0.636   0.000 3
torsion    24    26    26    25   0.155   0.000 1   0.097 180.000 2   0.148   0.000 3
torsion    24    26    26    26  -0.940   0.000 1   1.490 180.000 2  -1.143   0.000 3
torsion    24    26    26    27  -1.280   0.000 1   0.457 180.000 2   0.975   0.000 3
torsion    25    26    26    25  -0.244   0.000 1  -0.103 180.000 2   0.537   0.000 3
torsion    25    26    26    26  -0.090   0.000 1  -0.366 180.000 2   0.190   0.000 3
torsion    25    26    26    27   0.360   0.000 1  -1.026 180.000 2   0.826   0.000 3
torsion    25    26    26    29  -0.163   0.000 1   0.092 180.000 2   0.174   0.000 3
torsion    25    26    26    45  -0.163   0.000 1   0.092 180.000 2   0.174   0.000 3
torsion    26    26    26    29   0.600   0.000 1  -0.511 180.000 2  -1.857   0.000 3
torsion    26    26    26    45   0.600   0.000 1  -0.511 180.000 2  -1.857   0.000 3
torsion    27    26    26    29   0.044   0.000 1  -1.208 180.000 2   1.530   0.000 3
torsion    27    26    26    45   0.044   0.000 1  -1.208 180.000 2   1.530   0.000 3
torsion    25    26    27    28   0.320   0.000 1  -0.343 180.000 2   0.264   0.000 3
torsion    26    26    27    28  -1.051   0.000 1   2.670 180.000 2   0.052   0.000 3
torsion    24    26    29    42   0.060   0.000 1   1.996 180.000 2   3.820   0.000 3
torsion    25    26    29    42   4.441   0.000 1  -1.148 180.000 2  -2.262   0.000 3
torsion    26    26    29    42  -5.421   0.000 1   0.856 180.000 2  -2.090   0.000 3
torsion    24    26    45    28   0.477   0.000 1  -0.199 180.000 2   0.652   0.000 3
torsion    25    26    45    28   0.950   0.000 1   1.111 180.000 2   0.075   0.000 3
torsion    26    26    45    28  -1.807   0.000 1  -0.383 180.000 2  -0.263   0.000 3
torsion    26    29    42    32  -4.666   0.000 1   6.282 180.000 2   0.996   0.000 3
torsion    26    29    42    43  -6.338   0.000 1   6.788 180.000 2   0.370   0.000 3
torsion    24    30    32    42   1.905 180.000 2
torsion    31    30    32    42   0.120   0.000 3
torsion    24    30    44    28  -0.863   0.000 1   1.141 180.000 2  -1.090   0.000 3
torsion    31    30    44    28   0.403   0.000 1  -0.303 180.000 2   0.428   0.000 3
torsion    30    32    42    29  -4.666   0.000 1   6.282 180.000 2   0.996   0.000 3
torsion    30    32    42    43  -6.338   0.000 1   6.788 180.000 2   0.370   0.000 3
torsion    35    33    34    34  -0.484   0.000 1   0.023 180.000 2   0.416   0.000 3
torsion    35    33    34    36  -0.562   0.000 1  -0.153 180.000 2   0.720   0.000 3
torsion    35    33    34    38   0.386   0.000 1  -0.247 180.000 2   0.617   0.000 3
torsion    35    33    34    46   0.386   0.000 1  -0.247 180.000 2   0.617   0.000 3
torsion    36    33    34    34  -0.150   0.000 1   0.032 180.000 2   0.114   0.000 3
torsion    36    33    34    36  -0.056   0.000 1  -0.283 180.000 2   0.428   0.000 3
torsion    36    33    34    38  -0.367   0.000 1  -0.153 180.000 2   0.277   0.000 3
torsion    36    33    34    46  -0.367   0.000 1  -0.153 180.000 2   0.277   0.000 3
torsion    37    33    34    34  -0.609   0.000 1  -1.399 180.000 2  -0.326   0.000 3
torsion    37    33    34    36  -0.340   0.000 1  -0.204 180.000 2   0.030   0.000 3
torsion    37    33    34    38   0.354   0.000 1   0.507 180.000 2  -0.226   0.000 3
torsion    37    33    34    46   0.354   0.000 1   0.507 180.000 2  -0.226   0.000 3
torsion    34    33    35    34   0.285   0.000 1  -1.512 180.000 2  -0.212   0.000 3
torsion    36    33    35    34  -1.461   0.000 1   1.145 180.000 2   0.303   0.000 3
torsion    37    33    35    34   0.058   0.000 1   0.048   0.000 3
torsion    34    33    37    40   0.194   0.000 3
torsion    34    33    37    41  -0.434   0.000 1   0.630 180.000 2   2.364   0.000 3
torsion    34    33    37    47  -0.434   0.000 1   0.630 180.000 2   2.364   0.000 3
torsion    35    33    37    40   0.607 180.000 2   0.028   0.000 3
torsion    35    33    37    41   0.456   0.000 1  -1.166 180.000 2
torsion    35    33    37    47   0.456   0.000 1  -1.166 180.000 2
torsion    36    33    37    40   0.326   0.000 3
torsion    36    33    37    41   0.654 180.000 2   0.154   0.000 3
torsion    36    33    37    47   0.654 180.000 2   0.154   0.000 3
torsion     4    34    34    34  -0.583   0.000 1  -0.616 180.000 2   0.411   0.000 3
torsion     4    34    34    36   0.499   0.000 1  -1.065 180.000 2  -0.019   0.000 3
torsion    12    34    34    34   3.366   0.000 1  -2.257 180.000 2  -1.299   0.000 3
torsion    12    34    34    36   1.119   0.000 1  -0.552 180.000 2   1.140   0.000 3
torsion    18    34    34    34  -0.583   0.000 1  -0.616 180.000 2   0.411   0.000 3
torsion    18    34    34    36   0.499   0.000 1  -1.065 180.000 2  -0.019   0.000 3
torsion    21    34    34    34   3.366   0.000 1  -2.257 180.000 2  -1.299   0.000 3
torsion    21    34    34    36   1.119   0.000 1  -0.552 180.000 2   1.140   0.000 3
torsion    33    34    34    34  -0.545   0.000 1   0.230 180.000 2   0.306   0.000 3
torsion    33    34    34    36   0.036   0.000 1  -1.454 180.000 2   0.014   0.000 3
torsion    34    34    34    35   0.068   0.000 1  -1.039 180.000 2  -0.102   0.000 3
torsion    34    34    34    36  -0.464   0.000 1   0.159 180.000 2   0.896   0.000 3
torsion    34    34    34    38  -0.354   0.000 1   0.007 180.000 2   0.129   0.000 3
torsion    34    34    34    46  -0.354   0.000 1   0.007 180.000 2   0.129   0.000 3
torsion    35    34    34    36  -0.886   0.000 1   0.249 180.000 2  -1.124   0.000 3
torsion    36    34    34    36  -0.758   0.000 1   0.104 180.000 2   0.868   0.000 3
torsion    36    34    34    38  -0.569   0.000 1   0.086 180.000 2  -0.337   0.000 3
torsion    36    34    34    46  -0.569   0.000 1   0.086 180.000 2  -0.337   0.000 3
torsion     4    34    35    33  -0.201   0.000 1  -0.654 180.000 2  -0.791   0.000 3
torsion    12    34    35    33  -0.209   0.000 1   1.352 180.000 2  -2.522   0.000 3
torsion    18    34    35    33  -0.201   0.000 1  -0.654 180.000 2  -0.791   0.000 3
torsion    21    34    35    33  -0.209   0.000 1   1.352 180.000 2  -2.522   0.000 3
torsion    34    34    35    33   0.774   0.000 1  -2.681 180.000 2   0.498   0.000 3
torsion    36    34    35    33  -1.252   0.000 1   1.892 180.000 2   0.059   0.000 3
torsion    33    34    38    42  -1.164   0.000 1   0.505 180.000 2   0.239   0.000 3
torsion    34    34    38    42  -1.502   0.000 1   0.223 180.000 2   0.056   0.000 3
torsion    36    34    38    42   0.897   0.000 1  -0.136 180.000 2   0.147   0.000 3
torsion    33    34    46    39   0.138   0.000 1   0.401 180.000 2   0.438   0.000 3
torsion    34    34    46    39  -0.727   0.000 1  -0.708 180.000 2   0.974   0.000 3
torsion    36    34    46    39  -0.263   0.000 1  -0.458 180.000 2   0.409   0.000 3
torsion    33    37    41    42  -0.690   0.000 1  -0.148   0.000 3
torsion    40    37    41    42   0.120   0.000 3
torsion    33    37    47    39  -1.207   0.000 1  -1.651 180.000 2  -0.176   0.000 3
torsion    40    37    47    39   0.659   0.000 1   0.975 180.000 2  -0.414   0.000 3
torsion    34    38    42    41  -4.666   0.000 1   6.282 180.000 2   0.996   0.000 3
torsion    34    38    42    43  -6.338   0.000 1   6.788 180.000 2   0.370   0.000 3
torsion    37    41    42    38  -4.666   0.000 1   6.282 180.000 2   0.996   0.000 3
torsion    37    41    42    43  -6.338   0.000 1   6.788 180.000 2   0.370   0.000 3

ureybrad     49     48     49   -7.60   1.5537

vdw      0  0.000000000  0.000000000
vdw      1  3.720000000  0.112000000
vdw      2  3.740000000  0.106000000
vdw      3  3.720000000  0.106000000
vdw      4  3.700000000  0.127000000
vdw      5  3.600000000  0.124000000
vdw      6  3.740000000  0.106000000
vdw      7  3.640000000  0.127000000
vdw      8  3.640000000  0.127000000
vdw      9  2.950000000  0.029000000  0.920
vdw     10  3.080000000  0.029000000  0.920
vdw     11  2.650000000  0.020000000  0.880
vdw     12  3.700000000  0.127000000
vdw     13  3.790000000  0.106000000
vdw     14  3.720000000  0.095000000
vdw     15  3.050000000  0.029000000  0.910
vdw     16  3.350000000  0.129000000
vdw     17  3.720000000  0.106000000
vdw     18  3.700000000  0.127000000
vdw     19  2.650000000  0.020000000  0.890
vdw     20  3.800000000  0.101000000
vdw     21  3.700000000  0.127000000
vdw     22  2.900000000  0.025000000  0.910
vdw     23  3.405000000  0.112000000
vdw     24  3.820000000  0.101000000
vdw     25  2.890000000  0.024000000  0.920
vdw     26  3.820000000  0.101000000
vdw     27  3.405000000  0.112000000
vdw     28  2.655000000  0.013500000  0.910
vdw     29  3.450000000  0.108000000
vdw     30  3.820000000  0.101000000
vdw     31  2.940000000  0.024000000  0.920
vdw     32  3.450000000  0.108000000
vdw     33  3.820000000  0.101000000
vdw     34  3.820000000  0.101000000
vdw     35  3.405000000  0.112000000
vdw     36  2.890000000  0.024000000  0.920
vdw     37  3.820000000  0.101000000
vdw     38  3.450000000  0.108000000
vdw     39  2.655000000  0.013500000  0.910
vdw     40  2.940000000  0.024000000  0.920
vdw     41  3.450000000  0.108000000
vdw     42  4.450000000  0.300000000
vdw     43  3.400000000  0.110000000
vdw     44  3.405000000  0.112000000
vdw     45  3.405000000  0.112000000
vdw     46  3.405000000  0.112000000
vdw     47  3.405000000  0.112000000
vdw     48  3.405000000  0.110000000
vdw     49  2.655000000  0.013500000  0.910
vdw     50  2.200000000  0.066000000
vdw     51  2.955000000  0.280000000
vdw     52  3.680000000  0.350000000
vdw     53  3.900000000  0.380000000
vdw     54  4.140000000  0.420000000
vdw     55  1.880000000  0.091000000
vdw     56  2.900000000  0.280000000
vdw     57  3.590000000  0.350000000
vdw     58  3.870000000  0.385000000
vdw     59  4.200000000  0.420000000
vdw     60  2.680000000  0.222000000
vdw     61  3.430000000  0.250000000
vdw     62  4.120000000  0.340000000
vdw     63  4.320000000  0.430000000
vdw     64  4.610000000  0.520000000

vdwpr      7     51  3.387000000  0.240000000
vdwpr      7     52  3.676000000  0.290000000
vdwpr      7     56  3.425000000  0.215000000
vdwpr      8     51  3.387000000  0.240000000
vdwpr      8     52  3.676000000  0.290000000
vdwpr      8     56  3.425000000  0.215000000
vdwpr     16     56  3.213000000  0.182000000
vdwpr     52     62  4.236000000  0.151200000
vdwpr     52     63  4.379000000  0.166400000
vdwpr     52     64  4.636000000  0.172000000
vdwpr     53     62  4.315000000  0.185900000
vdwpr     53     63  4.448000000  0.206800000
vdwpr     53     64  4.690000000  0.214500000
vdwpr     54     62  4.345000000  0.289400000
vdwpr     54     63  4.475000000  0.330700000
vdwpr     54     64  4.711000000  0.346600000

