* LIGAND DATABASE FILE (OPLS2005)
*
001      78    79    139    214     409
    1     0 S   NP   _N1_     1    29.07307    93.68447   -24.37671
    2     1 S   H    _HN1     2     1.02947    87.37484     8.16255
    3     1 S   H    _H1_     3     1.02830    20.12438   176.51513
    4     1 S   H    _H2_     4     1.02790   111.66053  -100.59253
    5     1 S   CT   _CA1     5     1.50123   123.37372   120.98698
    6     5 S   HC   _HA1     6     1.09574   105.16712    76.93770
    7     5 S   CO3  _C1_     7     1.53779   112.46102   -43.27344
    8     7 S   O2Z  _O11     8     1.26378   114.99690   -42.20913
    9     7 S   O2Z  _O12     9     1.26238   114.94778   136.82047
   10     5 S   CT   _CB1    10     1.53068   107.41908  -165.07126
   11    10 S   HC   HB11    11     1.09838   109.36023   -49.24488
   12    10 S   HC   HB12    12     1.09813   110.46989    67.36728
   13    10 S   CT   _CG1    13     1.53010   112.61211  -170.18101
   14    13 S   HC   HG11    14     1.09573   110.69318   -66.69229
   15    13 S   HC   HG12    15     1.09670   109.73295    52.55526
   16    13 S   C    _CD1    16     1.51798   112.07925   173.03852
   17    16 S   O    _OE1    17     1.22778   123.18893    10.54878
   18    16 S   N    _N2_    18     1.38713   111.73920  -169.55852
   19    18 S   H    _HN2    19     1.01560   119.12823     0.93920
   20    18 S   CT1  _CA2    20     1.46124   123.18050   177.41260
   21    20 S   HC   _HA2    21     1.09691   109.06871     3.99645
   22    20 S   C    _C2_    22     1.53593   108.77197  -111.19968
   23    22 S   O    _O2_    23     1.23070   122.30397  -148.31388
   24    20 S   CT   _CB2    32     1.53579   112.25154   125.87088
   25    24 S   HC   HB21    33     1.09539   109.97871    59.83058
   26    24 S   HC   HB22    34     1.09023   108.98568   177.48923
   27    22 S   N    _N3_    24     1.38332   113.71927    39.15775
   28    27 S   H    _HN3    25     1.01570   119.54663    -3.40766
   29    24 S   S    _SG2    35     1.82656   111.37711   -59.40217
   30    27 S   CT   _CA3    26     1.45279   123.28257   177.10423
   31    30 S   HC   HA31    27     1.09548   107.52961   -64.16323
   32    30 S   HC   HA32    28     1.09555   107.96994    52.28504
   33    29 S   CT   _C16    36     1.88023   104.69031  -141.19682
   34    33 S   OM   _O35    37     1.32864   104.15352  -154.40934
   35    30 S   CO3  _C3_    29     1.52974   114.04331   174.26438
   36    35 S   O2Z  _O31    30     1.26383   116.06061    -0.61357
   37    35 S   O2Z  _O32    31     1.26424   114.42128   179.44468
   38    33 S   CT   _C15    38     1.57036   113.38712   -38.18206
   39    38 S   HC   _H3_    39     1.09721   108.19300    68.74551
   40    38 S   CO4  _C14    40     1.53168   111.60287  -178.06680
   41    40 S   O    _O34    41     1.23045   122.84702   146.22899
   42    38 S   CO4  _C17    73     1.54441   116.82049   -48.85344
   43    42 S   O    _O36    74     1.23042   123.78725   -40.39191
   44    40 S   CM   _C13    42     1.48112   118.18411   -38.02550
   45    44 S   HC   _H9_    43     1.08358   117.58652  -170.02904
   46    42 S   CT   _C18    75     1.51112   116.14836   142.92496
   47    46 S   HC   _H10    76     1.09227   109.80178    64.35637
   48    46 S   HC   _H11    77     1.09241   109.94373   -56.90471
   49    46 S   HC   _H12    78     1.09367   109.59845  -175.98707
   50    44 S   CM   _C12    44     1.33839   121.04849     8.35153
   51    50 S   HC   _H8_    45     1.08961   117.16091  -176.58591
   52    33 S   CT   _C11    46     1.63106   112.75297    87.72119
   53    52 S   CA   _C9_    47     1.58894   112.66843    64.68467
   54    52 S   CT   _C19    69     1.56213   112.32158   -61.75192
   55    54 S   HC   _H13    70     1.09758   112.36524   -66.79609
   56    54 S   HC   _H14    71     1.09850   111.10083   173.92233
   57    54 S   HC   _H15    72     1.08852   114.17212    52.90950
   58    53 S   CA   _C8_    48     1.42086   121.53586    88.16354
   59    58 S   CA   _C7_    49     1.40842   122.01665   178.99790
   60    58 S   OH   _O37    67     1.37489   119.35389    -0.15577
   61    60 S   HO   _H16    68     0.97283   109.48933  -157.22663
   62    59 S   CA   _C6_    50     1.39638   120.15298     3.91672
   63    59 S   CO4  _C20    61     1.48591   119.58772  -176.11214
   64    63 S   O    _O38    62     1.22829   119.33868   -50.01445
   65    62 S   CA   _C5_    51     1.40104   120.44572     0.39664
   66    62 S   OH   _O39    59     1.37051   118.05620   178.63026
   67    66 S   HO   _H20    60     0.97042   109.82101   160.02526
   68    63 S   CT   _C21    63     1.50620   118.70062   128.29056
   69    68 S   HC   _H17    64     1.09267   109.64839   105.59550
   70    68 S   HC   _H18    65     1.09341   111.43363   -16.17500
   71    68 S   HC   _H19    66     1.09401   108.79958  -134.49382
   72    53 S   CA   _C10    52     1.42252   122.80528   -89.05773
   73    65 S   CT   _C4_    55     1.50930   120.76445   175.46793
   74    73 S   HC   _H4_    56     1.09395   110.07539    93.83219
   75    73 S   HC   _H5_    57     1.09521   111.37024  -144.59130
   76    73 S   HC   _H6_    58     1.09441   112.01586   -27.72693
   77    72 S   OH   _O33    53     1.37211   118.67107    -2.38573
   78    77 S   HO   _H7_    54     0.96924   111.02241  -161.98735
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  19   8   2   1   1  15   7   9   4   7   4   6   3   3   2   1
   1   9   3  11  15   5   2   1   1  11  14   4   1  12   7   4
   9   3   1   3   2   1   1   6   4   2   1   1   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    52    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    50    52    53    54    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    50    51    52    53    58    72    54    55    56    57    42    43    46  
   38    39    40    50    52    53    54    42  
   36    37  
   37  
    0  
   39    40    41    44    45    50    52    53    54    42    43    46    47    48    49  
   40    41    44    52    42    43    46  
   41    44    45    50    51    52    42    43    46  
   44    45    50    42  
   43    46    47    48    49    44    52  
   46    47    48    49  
   45    50    51    52    53    54  
   50    51    52  
   47    48    49  
   48    49  
   49  
    0  
   51    52    53    58    72    54    55    56    57  
   52    53    54  
   53    58    59    65    72    77    60    54    55    56    57  
   58    59    62    65    72    77    78    73    63    60    61    54    55    56    57  
   55    56    57    58    72  
   56    57  
   57  
    0  
   59    62    65    72    77    66    63    64    68    60    61  
   62    65    72    73    66    67    63    64    68    69    70    71    60    61  
   61    62    63    72  
    0  
   65    72    77    73    74    75    76    66    67    63    64    68  
   64    68    69    70    71    65    66  
   68    69    70    71  
   72    77    78    73    74    75    76    66    67  
   67    72    73  
    0  
   69    70    71  
   70    71  
   71  
    0  
   77    78    73    74    75    76  
   74    75    76    77  
   75    76  
   76  
    0  
   78  
    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  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   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   1.4250   1.2500   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   59   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   60   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   63   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   73   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
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   222.000  1.810
   33    34   570.000  1.307
   33    38   268.000  1.529
   33    52   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.522
   38    42   317.000  1.522
   40    41   570.000  1.229
   40    44   320.000  1.462
   44    45   340.000  1.080
   44    50   549.000  1.340
   50    51   340.000  1.080
   50    52   317.000  1.510
   52    53   317.000  1.510
   52    54   268.000  1.529
   53    58   469.000  1.400
   53    72   469.000  1.400
   58    59   469.000  1.400
   58    60   450.000  1.364
   59    62   469.000  1.400
   59    63   310.000  1.470
   62    65   469.000  1.400
   62    66   450.000  1.364
   65    72   469.000  1.400
   65    73   317.000  1.510
   72    77   450.000  1.364
   77    78   553.000  0.945
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   66    67   553.000  0.945
   63    64   570.000  1.229
   63    68   317.000  1.522
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   60    61   553.000  0.945
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   42    43   570.000  1.229
   42    46   317.000  1.522
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   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    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    52    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    63.00000  111.10000
   33    38    42    63.00000  111.10000
   33    52    50    70.00000  112.02700
   33    52    53    70.00000  112.17500
   33    52    54    58.35000  112.70000
   38    33    34    50.00000  109.50000
   38    40    41    80.00000  120.40000
   38    40    44    65.00000  118.62400
   38    42    43    80.00000  120.40000
   38    42    46    70.00000  116.00000
   40    38    39    35.00000  109.50000
   40    44    45    40.00000  117.72500
   40    44    50    65.00000  118.96000
   44    40    41    80.00000  123.72100
   44    50    51    35.00000  120.00000
   44    50    52    70.00000  124.00000
   50    44    45    35.00000  120.00000
   50    52    53    70.00000  112.99600
   50    52    54    70.00000  112.02700
   52    33    34    50.00000  109.50000
   52    33    38    58.35000  112.70000
   52    50    51    35.00000  117.00000
   52    53    58    70.00000  120.00000
   52    53    72    70.00000  120.00000
   52    54    55    37.50000  110.70000
   52    54    56    37.50000  110.70000
   52    54    57    37.50000  110.70000
   53    58    59    63.00000  120.00000
   53    58    60    70.00000  120.00000
   53    72    65    63.00000  120.00000
   53    72    77    70.00000  120.00000
   58    59    62    63.00000  120.00000
   58    59    63    60.00000  119.52600
   58    60    61    35.00000  113.00000
   59    62    65    63.00000  120.00000
   59    62    66    70.00000  120.00000
   59    63    64    75.00000  123.78400
   59    63    68    65.00000  115.47100
   62    65    72    63.00000  120.00000
   62    65    73    70.00000  120.00000
   62    66    67    35.00000  113.00000
   65    72    77    70.00000  120.00000
   65    73    74    35.00000  109.50000
   65    73    75    35.00000  109.50000
   65    73    76    35.00000  109.50000
   72    53    58    63.00000  120.00000
   72    77    78    35.00000  113.00000
   73    65    72    70.00000  120.00000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   66    62    65    70.00000  120.00000
   63    59    62    60.00000  119.52600
   63    68    69    35.00000  109.50000
   63    68    70    35.00000  109.50000
   63    68    71    35.00000  109.50000
   68    63    64    80.00000  120.40000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   60    58    59    70.00000  120.00000
   54    52    53    70.00000  112.17500
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    75.00000  107.99600
   42    46    47    35.00000  109.50000
   42    46    48    35.00000  109.50000
   42    46    49    35.00000  109.50000
   46    42    43    80.00000  120.40000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    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   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    52    50   0.56750  1.0 1.0
   29    33    52    50  -0.07550 -1.0 2.0
   29    33    52    50   0.20000  1.0 3.0
   29    33    52    53   0.56750  1.0 1.0
   29    33    52    53  -0.07550 -1.0 2.0
   29    33    52    53   0.20000  1.0 3.0
   29    33    52    54   0.44750  1.0 1.0
   29    33    52    54  -0.17800 -1.0 2.0
   29    33    52    54   0.20200  1.0 3.0
   33    38    40    41   0.30150 -1.0 2.0
   33    38    40    44   0.65300  1.0 1.0
   33    38    40    44  -0.03850 -1.0 2.0
   33    38    40    44   0.33900  1.0 3.0
   33    38    42    43   0.30150 -1.0 2.0
   33    38    42    46   0.60050  1.0 1.0
   33    38    42    46   0.05600 -1.0 2.0
   33    38    42    46   0.26150  1.0 3.0
   33    52    53    58   0.04150 -1.0 2.0
   33    52    53    72   0.04150 -1.0 2.0
   33    52    54    55   0.15000  1.0 3.0
   33    52    54    56   0.15000  1.0 3.0
   33    52    54    57   0.15000  1.0 3.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40  -0.09450  1.0 1.0
   34    33    38    40  -1.12950 -1.0 2.0
   34    33    38    40   0.54000  1.0 3.0
   34    33    38    42  -0.09450  1.0 1.0
   34    33    38    42  -1.12950 -1.0 2.0
   34    33    38    42   0.54000  1.0 3.0
   34    33    52    50   0.61850  1.0 1.0
   34    33    52    50  -0.22750 -1.0 2.0
   34    33    52    50   0.15300  1.0 3.0
   34    33    52    53  -0.64350  1.0 1.0
   34    33    52    53  -0.04200 -1.0 2.0
   34    33    52    53   0.19800  1.0 3.0
   34    33    52    54   0.62750  1.0 1.0
   34    33    52    54  -0.30950 -1.0 2.0
   34    33    52    54   0.27300  1.0 3.0
   38    33    52    50   0.34400  1.0 1.0
   38    33    52    50   0.09450 -1.0 2.0
   38    33    52    50   0.11100  1.0 3.0
   38    33    52    53  -0.03700  1.0 1.0
   38    33    52    53   0.37200 -1.0 2.0
   38    33    52    53  -0.47300  1.0 3.0
   38    33    52    54   0.56750  1.0 1.0
   38    33    52    54  -0.07550 -1.0 2.0
   38    33    52    54   0.20000  1.0 3.0
   38    40    44    45   0.04550  1.0 1.0
   38    40    44    45   0.83000 -1.0 2.0
   38    40    44    45  -0.04000  1.0 3.0
   38    40   -44    50  -0.33500  1.0 1.0
   38    40   -44    50   1.06600 -1.0 2.0
   38    40   -44    50  -0.14000  1.0 3.0
   38    42    46    47   0.00000  1.0 1.0
   38    42    46    48   0.00000  1.0 1.0
   38    42    46    49   0.00000  1.0 1.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    44   0.00000  1.0 1.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    46   0.00000  1.0 1.0
   40    38    42    43   0.30150 -1.0 2.0
   40    38    42    46   0.65300  1.0 1.0
   40    38    42    46  -0.03850 -1.0 2.0
   40    38    42    46   0.33900  1.0 3.0
   40    44    50    51   7.00000 -1.0 2.0
   40    44    50    52   7.00000 -1.0 2.0
   41    40    44    45   0.00000  1.0 1.0
   41    40    44    50   1.00000 -1.0 2.0
   44    50   -52    33   0.09850  1.0 1.0
   44    50   -52    33   0.15250 -1.0 2.0
   44    50   -52    33  -0.50650  1.0 3.0
   44    50    52    53   1.44450  1.0 1.0
   44    50    52    53   0.06600 -1.0 2.0
   44    50    52    53   0.29250  1.0 3.0
   44    50    52    54   0.09850  1.0 1.0
   44    50    52    54   0.15250 -1.0 2.0
   44    50    52    54  -0.50650  1.0 3.0
   45    44    50    51   7.00000 -1.0 2.0
   45    44    50    52   7.00000 -1.0 2.0
   50    52    53    58   0.18050 -1.0 2.0
   50    52    53    72   0.18050 -1.0 2.0
   50    52    54    55   0.15000  1.0 3.0
   50    52    54    56   0.15000  1.0 3.0
   50    52    54    57   0.15000  1.0 3.0
   51    50    52    33   0.00000  1.0 1.0
   51    50    52    53   0.00000  1.0 1.0
   51    50    52    54   0.00000  1.0 1.0
   52    33    38    39   0.15000  1.0 3.0
   52    33   -38    40  -0.95700  1.0 1.0
   52    33   -38    40  -0.18200 -1.0 2.0
   52    33   -38    40   0.29450  1.0 3.0
   52    33    38    42  -0.95700  1.0 1.0
   52    33    38    42  -0.18200 -1.0 2.0
   52    33    38    42   0.29450  1.0 3.0
   52    53    58    59   3.62500 -1.0 2.0
   52    53    58    60   3.62500 -1.0 2.0
   52    53    72    65   3.62500 -1.0 2.0
   52    53    72    77   3.62500 -1.0 2.0
   53    52    54    55   0.43200  1.0 3.0
   53    52    54    56   0.43200  1.0 3.0
   53    52    54    57   0.43200  1.0 3.0
   53    58    59    62   3.62500 -1.0 2.0
   53    58    59    63   3.62500 -1.0 2.0
   53    58    60    61   0.84100 -1.0 2.0
   53    72    77    78   0.84100 -1.0 2.0
   58    53    72    65   3.62500 -1.0 2.0
   58    53    72    77   3.62500 -1.0 2.0
   58    59   -62    65   3.62500 -1.0 2.0
   58    59    62    66   3.62500 -1.0 2.0
   58    59    63    64   1.05000 -1.0 2.0
   58    59    63    68   2.26350  1.0 1.0
   58    59    63    68   0.76750 -1.0 2.0
   58    59    63    68   0.22500  1.0 3.0
   59    58    60    61   0.84100 -1.0 2.0
   59    62    65    72   3.62500 -1.0 2.0
   59    62    65    73   3.62500 -1.0 2.0
   59    62    66    67   0.84100 -1.0 2.0
   59    63    68    69   0.00000  1.0 1.0
   59    63    68    70   0.00000  1.0 1.0
   59    63    68    71   0.00000  1.0 1.0
   62    59    63    64   1.05000 -1.0 2.0
   62    59    63    68   2.26350  1.0 1.0
   62    59    63    68   0.76750 -1.0 2.0
   62    59    63    68   0.22500  1.0 3.0
   62    65   -72    53   3.62500 -1.0 2.0
   62    65    72    77   3.62500 -1.0 2.0
   62    65    73    74   0.00000  1.0 1.0
   62    65    73    75   0.00000  1.0 1.0
   62    65    73    76   0.00000  1.0 1.0
   65    62    66    67   0.84100 -1.0 2.0
   65    72    77    78   0.84100 -1.0 2.0
   72    53   -58    59   3.62500 -1.0 2.0
   72    53    58    60   3.62500 -1.0 2.0
   72    65    73    74   0.00000  1.0 1.0
   72    65    73    75   0.00000  1.0 1.0
   72    65    73    76   0.00000  1.0 1.0
   73    65    72    53   3.62500 -1.0 2.0
   73    65    72    77   3.62500 -1.0 2.0
   66    62    65    72   3.62500 -1.0 2.0
   66    62    65    73   3.62500 -1.0 2.0
   63    59    62    65   3.62500 -1.0 2.0
   63    59    62    66   3.62500 -1.0 2.0
   64    63    68    69   0.00000  1.0 1.0
   64    63    68    70   0.00000  1.0 1.0
   64    63    68    71   0.00000  1.0 1.0
   60    58    59    62   3.62500 -1.0 2.0
   60    58    59    63   3.62500 -1.0 2.0
   54    52    53    58   0.04150 -1.0 2.0
   54    52    53    72   0.04150 -1.0 2.0
   42    38    40    41   0.30150 -1.0 2.0
   42    38    40    44   0.65300  1.0 1.0
   42    38    40    44  -0.03850 -1.0 2.0
   42    38    40    44   0.33900  1.0 3.0
   43    42    46    47   0.00000  1.0 1.0
   43    42    46    48   0.00000  1.0 1.0
   43    42    46    49   0.00000  1.0 1.0
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
   38    44    40    41  10.50000 -1.0 2.0
   40    45    44    50   1.10000 -1.0 2.0
   52    51    50    44   1.10000 -1.0 2.0
   58    72    53    52   4.00000 -1.0 2.0
   59    60    58    53   4.00000 -1.0 2.0
   62    63    59    58   4.00000 -1.0 2.0
   65    66    62    59   4.00000 -1.0 2.0
   72    73    65    62   4.00000 -1.0 2.0
   65    77    72    53   4.00000 -1.0 2.0
   59    68    63    64  10.50000 -1.0 2.0
   38    46    42    43  10.50000 -1.0 2.0
END
