* LIGAND DATABASE FILE (OPLS2005)
*
001      63    62    109    157     316
    1     0 S   NP   _N1_     1    28.84788    94.44072   -20.03232
    2     1 S   H    _HN1     2     1.02830    30.40501   154.36934
    3     1 S   H    _H1_     3     1.02768    85.91647   -68.51643
    4     1 S   H    _H2_     4     1.02976    95.34885    39.58776
    5     1 S   CT   _CA1     5     1.50151   140.32947   170.78507
    6     5 S   HC   _HA1     6     1.09584   105.19408    50.14660
    7     5 S   CO3  _C1_     7     1.53851   112.46168   -69.76507
    8     7 S   O2Z  _O11     8     1.26321   114.96958   -40.10543
    9     7 S   O2Z  _O12     9     1.26258   114.89970   138.91133
   10     5 S   CT   _CB1    10     1.53108   107.35143   167.86350
   11    10 S   HC   HB11    11     1.09811   109.23733   -52.30861
   12    10 S   HC   HB12    12     1.09781   110.36652    64.12951
   13    10 S   CT   _CG1    13     1.52927   112.72537  -173.58335
   14    13 S   HC   HG11    14     1.09497   110.06637   -63.38719
   15    13 S   HC   HG12    15     1.09635   110.18488    55.64796
   16    13 S   C    _CD1    16     1.51820   112.52749   175.87593
   17    16 S   O    _OE1    17     1.22710   123.24566   -12.88235
   18    16 S   N    _N2_    18     1.38590   111.58944   168.08250
   19    18 S   H    _HN2    19     1.01609   118.87433    -0.09487
   20    18 S   CT1  _CA2    20     1.46317   123.71790  -179.64778
   21    20 S   HC   _HA2    21     1.09738   109.30632   -17.71556
   22    20 S   C    _C2_    22     1.53448   108.06412  -133.23643
   23    22 S   O    _O2_    23     1.22996   122.35324  -145.89815
   24    20 S   CT   _CB2    32     1.53414   111.21583   104.68804
   25    24 S   HC   HB21    33     1.09643   109.51020    50.45510
   26    24 S   HC   HB22    34     1.09502   111.09081   169.28678
   27    22 S   N    _N3_    24     1.38546   113.28209    41.57042
   28    27 S   H    _HN3    25     1.01531   118.91429    -0.59149
   29    24 S   S    _SG2    35     1.82302   111.64051   -71.05067
   30    27 S   CT   _CA3    26     1.45453   123.43616   174.97325
   31    30 S   HC   HA31    27     1.09525   109.20702    24.78022
   32    30 S   HC   HA32    28     1.09494   107.12038   141.79947
   33    29 S   CO4  _C14    36     1.76416   100.14620   158.62248
   34    33 S   O    _O34    37     1.22561   121.90490    24.92762
   35    30 S   CO3  _C3_    29     1.52940   113.17582   -98.66531
   36    35 S   O2Z  _O31    30     1.26399   115.44861   -42.79772
   37    35 S   O2Z  _O32    31     1.26361   114.94957   138.14322
   38    33 S   CT   _C5_    38     1.51988   114.41824  -154.13277
   39    38 S   HC   _H3_    39     1.09248   110.21627   -18.05015
   40    38 S   CO4  _C6_    40     1.53179   111.22991   104.54466
   41    40 S   O    _O33    41     1.23737   119.22386    69.40007
   42    38 S   CT   _C4_    60     1.53084   109.12495  -134.24476
   43    42 S   HC   _H4_    61     1.09594   111.87189   -61.29290
   44    42 S   HC   _H5_    62     1.09550   110.70298    58.56995
   45    42 S   HC   _H6_    63     1.09495   110.96163   178.67943
   46    40 S   CT   _C7_    42     1.55574   119.43913  -111.69616
   47    46 S   SM   _S1_    43     1.86559   104.64039   -84.54607
   48    46 S   CM   _C9_    44     1.52493   111.66974   160.02321
   49    48 S   HC   _H10    45     1.09206   115.71195   125.10733
   50    46 S   CT   _C8_    56     1.53386   116.28684    33.22797
   51    50 S   HC   _H7_    57     1.09590   113.46507   -62.46738
   52    50 S   HC   _H8_    58     1.09400   111.35519    57.92140
   53    50 S   HC   _H9_    59     1.09845   111.82671   177.03608
   54    48 S   CM   _C10    46     1.35437   128.59131   -57.33501
   55    54 S   CM   _C12    47     1.46418   118.46653  -178.75526
   56    55 S   HC   _H14    48     1.08914   116.42531     0.77228
   57    54 S   CT   _C11    52     1.50639   124.51728     0.92069
   58    57 S   HC   _H11    53     1.09531   110.69846  -122.85231
   59    57 S   HC   _H12    54     1.09039   113.60104    -3.28420
   60    57 S   HC   _H13    55     1.09561   110.47470   116.78979
   61    55 S   CM   _C13    49     1.33934   126.98029  -179.36975
   62    61 S   HC   _H15    50     1.08538   119.89699  -179.77272
   63    61 S   HC   _H16    51     1.08352   123.06136     0.02798
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   6   5   4   3
  10   4   2   1   1  11   7  14   5   4   2   1   1  10   7  13
   4   4   2   1   1   9   8   4   4   2   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    46    42    43    44    45  
   38    39    40    42  
   36    37  
   37  
    0  
   39    40    41    46    47    48    50    42    43    44    45  
   40    41    46    42    43    44    45  
   41    46    47    48    49    54    50    51    52    53    42    43    44    45  
   46    47    48    50    42  
   43    44    45    46  
   44    45  
   45  
    0  
   47    48    49    54    55    57    50    51    52    53  
   48    49    54    50    51    52    53  
   49    54    55    56    61    57    58    59    60    50    51    52    53  
   54    55    57    50  
   51    52    53    54  
   52    53  
   53  
    0  
   55    56    61    62    63    57    58    59    60  
   56    61    62    63    57    58    59    60  
   61    62    63    57  
   58    59    60    61  
   59    60  
   60  
    0  
   62    63  
   63  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.219900   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.7500   0.1050   0.482400   2.1120   1.8750   0.001000000  -0.126889456
   34   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.100000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.6000   0.3550  -0.900000   2.0300   1.8000   0.025682759  -1.666211680
   48   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   210.000  1.799
   33    34   570.000  1.229
   33    38   317.000  1.522
   38    39   340.000  1.090
   38    40   317.000  1.522
   38    42   268.000  1.529
   40    41   570.000  1.229
   40    46   317.000  1.522
   46    47   222.000  1.810
   46    48   317.000  1.510
   46    50   268.000  1.529
   48    49   340.000  1.080
   48    54   549.000  1.340
   54    55   380.000  1.444
   54    57   317.000  1.510
   55    56   340.000  1.080
   55    61   549.000  1.340
   61    62   340.000  1.080
   61    63   340.000  1.080
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    90.00000   96.72000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    80.00000  121.30200
   29    33    38    70.00000  114.16300
   33    38    39    35.00000  109.50000
   33    38    40    75.00000  107.99600
   33    38    42    63.00000  111.10000
   38    33    34    80.00000  120.40000
   38    40    41    80.00000  120.40000
   38    40    46    70.00000  116.00000
   38    42    43    37.50000  110.70000
   38    42    44    37.50000  110.70000
   38    42    45    37.50000  110.70000
   40    38    39    35.00000  109.50000
   40    46    47    75.00000  110.18000
   40    46    48    70.00000  109.06800
   40    46    50    63.00000  111.10000
   46    40    41    80.00000  120.40000
   46    48    49    35.00000  117.00000
   46    48    54    70.00000  124.00000
   46    50    51    37.50000  110.70000
   46    50    52    37.50000  110.70000
   46    50    53    37.50000  110.70000
   48    46    47    75.00000  112.20000
   48    54    55    70.00000  123.01800
   48    54    57    70.00000  124.00000
   54    48    49    35.00000  120.00000
   54    55    56    35.00000  120.00000
   54    55    61    70.00000  123.01800
   54    57    58    35.00000  109.50000
   54    57    59    35.00000  109.50000
   54    57    60    35.00000  109.50000
   55    61    62    35.00000  120.00000
   55    61    63    35.00000  120.00000
   61    55    56    35.00000  120.00000
   63    61    62    35.00000  117.00000
   57    54    55    70.00000  124.00000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   50    46    47    75.00000  111.63000
   50    46    48    70.00000  112.02700
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   42    38    39    37.50000  110.70000
   42    38    40    63.00000  111.10000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.00000  1.0 1.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34  -0.11550  1.0 1.0
   24    29    33    34   1.88700 -1.0 2.0
   24    29    33    38  -0.11550  1.0 1.0
   24    29    33    38   1.88700 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    40   0.00000  1.0 1.0
   29    33    38    42   0.00000  1.0 1.0
   33    38    40    41   0.30150 -1.0 2.0
   33    38    40    46   0.65300  1.0 1.0
   33    38    40    46  -0.03850 -1.0 2.0
   33    38    40    46   0.33900  1.0 3.0
   33    38    42    43  -0.11250  1.0 3.0
   33    38    42    44  -0.11250  1.0 3.0
   33    38    42    45  -0.11250  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.30150 -1.0 2.0
   34    33    38    42   0.30150 -1.0 2.0
   38    40    46    47   0.65300  1.0 1.0
   38    40    46    47  -0.03850 -1.0 2.0
   38    40    46    47   0.33900  1.0 3.0
   38    40    46    48   0.65300  1.0 1.0
   38    40    46    48  -0.03850 -1.0 2.0
   38    40    46    48   0.33900  1.0 3.0
   38    40    46    50   0.60050  1.0 1.0
   38    40    46    50   0.05600 -1.0 2.0
   38    40    46    50   0.26150  1.0 3.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    46   0.00000  1.0 1.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    44   0.15000  1.0 3.0
   39    38    42    45   0.15000  1.0 3.0
   40    38    42    43  -0.11250  1.0 3.0
   40    38    42    44  -0.11250  1.0 3.0
   40    38    42    45  -0.11250  1.0 3.0
   40    46    48    49   0.00000  1.0 1.0
   40    46    48    54  -0.51250  1.0 1.0
   40    46    48    54  -0.88800 -1.0 2.0
   40    46    48    54   0.08850  1.0 3.0
   40    46    50    51  -0.11250  1.0 3.0
   40    46    50    52  -0.11250  1.0 3.0
   40    46    50    53  -0.11250  1.0 3.0
   41    40    46    47   0.30150 -1.0 2.0
   41    40    46    48   0.30150 -1.0 2.0
   41    40    46    50   0.30150 -1.0 2.0
   46    48    54    55   7.00000 -1.0 2.0
   46    48    54    57   7.00000 -1.0 2.0
   47    46    48    49   0.00000  1.0 1.0
   47    46    48    54   0.42700  1.0 1.0
   47    46    48    54  -0.70350 -1.0 2.0
   47    46    48    54  -0.43150  1.0 3.0
   47    46    50    51   0.15000  1.0 3.0
   47    46    50    52   0.15000  1.0 3.0
   47    46    50    53   0.15000  1.0 3.0
   48    46    50    51   0.15000  1.0 3.0
   48    46    50    52   0.15000  1.0 3.0
   48    46    50    53   0.15000  1.0 3.0
   48    54    55    56  -0.18600  1.0 3.0
   48    54    55    61   0.28850  1.0 1.0
   48    54    55    61   2.61350 -1.0 2.0
   48    54    55    61   0.78400  1.0 3.0
   48    54    57    58   0.00000  1.0 1.0
   48    54    57    59   0.00000  1.0 1.0
   48    54    57    60   0.00000  1.0 1.0
   49    48    54    55   7.00000 -1.0 2.0
   49    48    54    57   7.00000 -1.0 2.0
   54    55    61    62   7.00000 -1.0 2.0
   54    55    61    63   7.00000 -1.0 2.0
   55    54    57    58   0.00000  1.0 1.0
   55    54    57    59   0.00000  1.0 1.0
   55    54    57    60   0.00000  1.0 1.0
   56    55    61    62   7.00000 -1.0 2.0
   56    55    61    63   7.00000 -1.0 2.0
   57    54    55    56   0.00000  1.0 1.0
   57    54    55    61  -0.18600  1.0 3.0
   50    46    48    49   0.00000  1.0 1.0
   50    46    48    54   0.09850  1.0 1.0
   50    46    48    54   0.15250 -1.0 2.0
   50    46    48    54  -0.50650  1.0 3.0
   42    38    40    41   0.30150 -1.0 2.0
   42    38    40    46   0.60050  1.0 1.0
   42    38    40    46   0.05600 -1.0 2.0
   42    38    40    46   0.26150  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   29    38    33    34  10.50000 -1.0 2.0
   38    46    40    41  10.50000 -1.0 2.0
   46    49    48    54  15.00000 -1.0 2.0
   55    57    54    48  15.00000 -1.0 2.0
   54    56    55    61  15.00000 -1.0 2.0
   62    63    61    55  15.00000 -1.0 2.0
END
