* LIGAND DATABASE FILE (OPLS2005)
*
001      78    79    139    211     406
    1     0 S   NP   _N1_     1    30.22427    93.52618   -16.10301
    2     1 S   H    _HN1     2     1.02970   144.50923    53.04411
    3     1 S   H    _H1_     3     1.02841    46.96407   104.84613
    4     1 S   H    _H2_     4     1.02780    68.90730   -39.15319
    5     1 S   CT   _CA1     5     1.50191   102.53035  -148.39051
    6     5 S   HC   _HA1     6     1.09554   105.34211    11.04593
    7     5 S   CO3  _C1_     7     1.53872   112.16983  -109.45865
    8     7 S   O2Z  _O11     8     1.26392   115.06743   -46.04130
    9     7 S   O2Z  _O12     9     1.26213   114.93343   133.02988
   10     5 S   CT   _CB1    10     1.52970   107.36865   129.15525
   11    10 S   HC   HB11    11     1.09846   109.79978   -48.85963
   12    10 S   HC   HB12    12     1.09687   110.00980    67.12650
   13    10 S   CT   _CG1    13     1.53136   112.98402  -169.80192
   14    13 S   HC   HG11    14     1.09547   111.48188   -55.52787
   15    13 S   HC   HG12    15     1.09565   110.70516    63.88327
   16    13 S   C    _CD1    16     1.51470   109.75898  -176.18120
   17    16 S   O    _OE1    17     1.22776   122.06618   -96.76061
   18    16 S   N    _N2_    18     1.38193   112.36805    80.74558
   19    18 S   H    _HN2    19     1.01720   119.01765     6.42071
   20    18 S   CT1  _CA2    20     1.45707   123.67024  -174.07586
   21    20 S   HC   _HA2    21     1.09721   108.75108    22.98161
   22    20 S   C    _C2_    22     1.52765   107.77083   -94.71809
   23    22 S   O    _O2_    23     1.22932   122.99706   -25.12150
   24    20 S   CT   _CB2    32     1.53498   111.44718   145.40703
   25    24 S   HC   HB21    33     1.09426   109.79335    62.72284
   26    24 S   HC   HB22    34     1.09530   110.45692  -179.54544
   27    22 S   N    _N3_    24     1.38643   112.30589   158.00813
   28    27 S   H    _HN3    25     1.01485   119.74863     0.10653
   29    24 S   S    _SG2    35     1.83323   110.65043   -60.41714
   30    27 S   CT   _CA3    26     1.45423   122.67486   174.18031
   31    30 S   HC   HA31    27     1.09546   108.81612    33.20462
   32    30 S   HC   HA32    28     1.09474   107.17868   150.38211
   33    29 S   CT   _C16    36     1.86316   102.50408   135.93129
   34    30 S   CO3  _C3_    29     1.53130   113.85510   -89.50938
   35    34 S   O2Z  _O31    30     1.26361   116.04866   -23.93136
   36    34 S   O2Z  _O32    31     1.26444   114.51380   156.84431
   37    33 S   CO4  _C11    37     1.53024   110.72223   -54.78527
   38    37 S   O    _O20    38     1.22781   123.29432   -22.41446
   39    33 S   CT   _C21    56     1.57029   109.67967  -173.86486
   40    39 S   HC   _H42    57     1.09745   108.18117   174.47494
   41    37 S   CA   _C7_    39     1.49198   117.64333   160.76292
   42    39 S   CT   _C20    58     1.54585   114.91882    54.29965
   43    42 S   HC   _H40    59     1.09492   110.35963    46.65193
   44    42 S   HC   _H41    60     1.09322   111.01747   -71.23453
   45    39 S   OS   _O24    72     1.45211   108.69412   -66.46796
   46    41 S   CA   _C6_    40     1.40658   120.29767   -14.98189
   47    42 S   CM   _C12    61     1.50689   111.87995   165.06594
   48    47 S   HC   _H28    62     1.08981   114.00822   -74.80415
   49    45 S   CO4  _C14    73     1.36237   118.40231  -126.60086
   50    49 S   O    _O21    74     1.22284   126.62775     0.76361
   51    46 S   CA   _C8_    41     1.40558   119.46183   178.87291
   52    46 S   CO4  _C10    51     1.48625   120.08997    -1.88461
   53    52 S   O    _O19    52     1.22726   120.98642   171.12022
   54    47 S   CM   _C13    63     1.34655   127.87620   105.97404
   55    49 S   CT   _C19    75     1.49814   109.35452  -179.28509
   56    55 S   HC   _H37    76     1.09290   109.80651   -61.18126
   57    55 S   HC   _H38    77     1.09374   109.36795   179.75134
   58    55 S   HC   _H39    78     1.09293   109.81783    60.72464
   59    51 S   CA   _C4_    42     1.39377   120.75766     0.59643
   60    59 S   HA   _H26    43     1.08680   120.44197   179.71884
   61    51 S   OH   _O22    49     1.36942   123.60496  -179.91844
   62    61 S   HO   _H43    50     0.97377   109.05660     2.85087
   63    33 S   CT   _C15    53     1.53245   107.23143    63.95804
   64    63 S   HC   _H29    54     1.09677   111.22881    64.03487
   65    63 S   HC   _H30    55     1.09686   112.63096   -56.29892
   66    54 S   CT   _C17    64     1.50562   120.40797   178.81799
   67    66 S   HC   _H31    65     1.09496   110.26958   119.00917
   68    66 S   HC   _H32    66     1.09496   110.20290  -121.16504
   69    66 S   HC   _H33    67     1.09511   112.41794    -1.11136
   70    54 S   CT   _C18    68     1.50269   125.21945    -2.11812
   71    70 S   HC   _H34    69     1.09480   110.08525   114.55808
   72    70 S   HC   _H35    70     1.09204   113.59217    -6.56286
   73    70 S   HC   _H36    71     1.09545   110.02246  -126.14208
   74    59 S   CA   _C5_    44     1.39006   119.86343    -0.41307
   75    74 S   HA   _H27    45     1.08699   119.65332  -179.58646
   76    41 S   CA   _C9_    46     1.40592   120.59886   163.99860
   77    76 S   OH   _O23    47     1.36903   123.87294    -0.45327
   78    77 S   HO   _H44    48     0.97473   109.71809    -7.40642
  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  12   5   4   3
  18   2   1   1  15   5  16   7  12  10   5   4   8  13  10   3
   5   4  10   7   3   8   3   2   1   1   7   4   2   1   2   1
   1   7   3   2   1   3   2   1   1   4   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    63    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    52    63    64    65    39    40    42    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    46    76    52    53    63    64    65    39    40    42    43    44    47    45    49  
   35    36  
   36  
    0  
   38    41    46    51    74    76    77    52    63    64    65    39    40    42    45  
   41    46    76    63    39  
   40    42    43    44    47    48    54    45    49    50    55    41    52    63    64    65  
   42    43    44    47    45    49    63  
   46    51    59    74    75    76    77    78    61    52    53    63  
   43    44    47    48    54    66    70    45    49    63  
   44    47    48    54    45  
   47    48    54    45  
   49    50    55    56    57    58    47    63  
   51    59    60    74    76    77    61    62    52    53    63    64    65  
   48    54    66    67    68    69    70    71    72    73  
   54    66    70  
   50    55    56    57    58  
   55    56    57    58  
   59    60    74    75    76    61    62    52    53    63  
   53    63    64    65    59    61    76  
   63    64    65  
   66    67    68    69    70    71    72    73  
   56    57    58  
   57    58  
   58  
    0  
   60    74    75    76    77    61    62  
   74    75    76    61  
   62    74  
    0  
   64    65  
   65  
    0  
   67    68    69    70    71    72    73  
   68    69    70  
   69    70  
   70  
   71    72    73  
   72    73  
   73  
    0  
   75    76    77    78  
   76    77  
   77    78  
   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  -0.335000   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   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   41   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   42   3.5000   0.0660  -0.120000   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   46   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   51   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   52   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   57   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   65   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   317.000  1.522
   33    63   268.000  1.529
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    41   310.000  1.470
   41    46   469.000  1.400
   41    76   469.000  1.400
   46    51   469.000  1.400
   46    52   310.000  1.470
   51    59   469.000  1.400
   51    61   450.000  1.364
   59    60   367.000  1.080
   59    74   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    77   450.000  1.364
   77    78   553.000  0.945
   61    62   553.000  0.945
   52    53   570.000  1.229
   52    63   317.000  1.522
   63    64   340.000  1.090
   63    65   340.000  1.090
   39    40   340.000  1.090
   39    42   268.000  1.529
   39    45   320.000  1.410
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    47   317.000  1.510
   47    48   340.000  1.080
   47    54   549.000  1.340
   54    66   317.000  1.510
   54    70   317.000  1.510
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   45    49   214.000  1.327
   49    50   570.000  1.229
   49    55   317.000  1.522
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  110.18000
   29    33    63    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    41    65.00000  115.47100
   33    63    52    63.00000  111.10000
   33    63    64    37.50000  110.70000
   33    63    65    37.50000  110.70000
   33    39    40    37.50000  110.70000
   33    39    42    58.35000  112.70000
   33    39    45    50.00000  109.50000
   37    41    46    60.00000  119.52600
   37    41    76    60.00000  119.52600
   41    37    38    75.00000  123.78400
   41    46    51    63.00000  120.00000
   41    46    52    60.00000  119.52600
   41    76    74    63.00000  120.00000
   41    76    77    70.00000  120.00000
   46    51    59    63.00000  120.00000
   46    51    61    70.00000  120.00000
   46    52    53    75.00000  123.78400
   46    52    63    65.00000  115.47100
   51    59    60    35.00000  120.00000
   51    59    74    63.00000  120.00000
   51    61    62    35.00000  113.00000
   59    74    75    35.00000  120.00000
   59    74    76    63.00000  120.00000
   74    59    60    35.00000  120.00000
   74    76    77    70.00000  120.00000
   76    41    46    63.00000  120.00000
   76    74    75    35.00000  120.00000
   76    77    78    35.00000  113.00000
   61    51    59    70.00000  120.00000
   52    46    51    60.00000  119.52600
   52    63    64    35.00000  109.50000
   52    63    65    35.00000  109.50000
   63    33    37    63.00000  111.10000
   63    52    53    80.00000  120.40000
   65    63    64    33.00000  107.80000
   39    33    37    63.00000  111.10000
   39    33    63    58.35000  112.70000
   39    42    43    37.50000  110.70000
   39    42    44    37.50000  110.70000
   39    42    47    70.00000  112.02700
   39    45    49    83.00000  116.90000
   42    39    40    37.50000  110.70000
   42    47    48    35.00000  117.00000
   42    47    54    70.00000  124.00000
   44    42    43    33.00000  107.80000
   47    42    43    35.00000  109.50000
   47    42    44    35.00000  109.50000
   47    54    66    70.00000  124.00000
   47    54    70    70.00000  124.00000
   54    47    48    35.00000  120.00000
   54    66    67    35.00000  109.50000
   54    66    68    35.00000  109.50000
   54    66    69    35.00000  109.50000
   54    70    71    35.00000  109.50000
   54    70    72    35.00000  109.50000
   54    70    73    35.00000  109.50000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   70    54    66    65.00000  117.92700
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   45    39    40    35.00000  109.50000
   45    39    42    50.00000  109.50000
   45    49    50    83.00000  123.40000
   45    49    55    81.00000  111.40000
   49    55    56    35.00000  109.50000
   49    55    57    35.00000  109.50000
   49    55    58    35.00000  109.50000
   55    49    50    80.00000  120.40000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    63   0.01700  1.0 1.0
   24    29    33    63  -0.23550 -1.0 2.0
   24    29    33    63   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    37    38   0.30150 -1.0 2.0
   29    33    37    41   0.65300  1.0 1.0
   29    33    37    41  -0.03850 -1.0 2.0
   29    33    37    41   0.33900  1.0 3.0
   29    33    63    52   0.56750  1.0 1.0
   29    33    63    52  -0.07550 -1.0 2.0
   29    33    63    52   0.20000  1.0 3.0
   29    33    63    64   0.15000  1.0 3.0
   29    33    63    65   0.15000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    42   0.44750  1.0 1.0
   29    33    39    42  -0.17800 -1.0 2.0
   29    33    39    42   0.20200  1.0 3.0
   29    33    39    45   0.56750  1.0 1.0
   29    33    39    45  -0.07550 -1.0 2.0
   29    33    39    45   0.20000  1.0 3.0
   33    37    41    46   2.26350  1.0 1.0
   33    37    41    46   0.76750 -1.0 2.0
   33    37    41    46   0.22500  1.0 3.0
   33    37    41    76   2.26350  1.0 1.0
   33    37    41    76   0.76750 -1.0 2.0
   33    37    41    76   0.22500  1.0 3.0
   33    39    42    43   0.15000  1.0 3.0
   33    39    42    44   0.15000  1.0 3.0
   33    39    42    47   0.34400  1.0 1.0
   33    39    42    47   0.09450 -1.0 2.0
   33    39    42    47   0.11100  1.0 3.0
   33    39    45    49  -0.25900  1.0 1.0
   33    39    45    49  -0.47000 -1.0 2.0
   33    39    45    49   0.11750  1.0 3.0
   37    33    63    52   0.11950  1.0 1.0
   37    33    63    52   0.20300 -1.0 2.0
   37    33    63    52  -0.70800  1.0 3.0
   37    33    63    64  -0.11250  1.0 3.0
   37    33    63    65  -0.11250  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    42  -0.95700  1.0 1.0
   37    33    39    42  -0.18200 -1.0 2.0
   37    33    39    42   0.29450  1.0 3.0
   37    33    39    45  -0.09450  1.0 1.0
   37    33    39    45  -1.12950 -1.0 2.0
   37    33    39    45   0.54000  1.0 3.0
   37    41    46    51   3.62500 -1.0 2.0
   37    41   -46    52   3.62500 -1.0 2.0
   37    41    76    74   3.62500 -1.0 2.0
   37    41    76    77   3.62500 -1.0 2.0
   38    37    41    46   1.05000 -1.0 2.0
   38    37    41    76   1.05000 -1.0 2.0
   41    46    51    59   3.62500 -1.0 2.0
   41    46    51    61   3.62500 -1.0 2.0
   41    46    52    53   1.05000 -1.0 2.0
   41    46    52    63   2.26350  1.0 1.0
   41    46    52    63   0.76750 -1.0 2.0
   41    46    52    63   0.22500  1.0 3.0
   41    76    77    78   0.84100 -1.0 2.0
   46    41    76    74   3.62500 -1.0 2.0
   46    41    76    77   3.62500 -1.0 2.0
   46    51    59    60   3.62500 -1.0 2.0
   46    51   -59    74   3.62500 -1.0 2.0
   46    51    61    62   0.84100 -1.0 2.0
   46    52   -63    33   0.05850 -1.0 2.0
   46    52   -63    33   0.17250  1.0 3.0
   46    52    63    64   0.00000  1.0 1.0
   46    52    63    65   0.00000  1.0 1.0
   51    46    52    53   1.05000 -1.0 2.0
   51    46    52    63   2.26350  1.0 1.0
   51    46    52    63   0.76750 -1.0 2.0
   51    46    52    63   0.22500  1.0 3.0
   51    59    74    75   3.62500 -1.0 2.0
   51    59    74    76   3.62500 -1.0 2.0
   59    51    61    62   0.84100 -1.0 2.0
   59    74   -76    41   3.62500 -1.0 2.0
   59    74    76    77   3.62500 -1.0 2.0
   60    59    74    75   3.62500 -1.0 2.0
   60    59    74    76   3.62500 -1.0 2.0
   74    76    77    78   0.84100 -1.0 2.0
   75    74    76    41   3.62500 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   76    41   -46    51   3.62500 -1.0 2.0
   76    41    46    52   3.62500 -1.0 2.0
   61    51    59    60   3.62500 -1.0 2.0
   61    51    59    74   3.62500 -1.0 2.0
   52    46    51    59   3.62500 -1.0 2.0
   52    46    51    61   3.62500 -1.0 2.0
   53    52    63    33   0.30150 -1.0 2.0
   53    52    63    64   0.00000  1.0 1.0
   53    52    63    65   0.00000  1.0 1.0
   63    33    37    38   0.30150 -1.0 2.0
   63    33   -37    41   0.05850 -1.0 2.0
   63    33   -37    41   0.17250  1.0 3.0
   63    33    39    40   0.15000  1.0 3.0
   63    33    39    42   0.56750  1.0 1.0
   63    33    39    42  -0.07550 -1.0 2.0
   63    33    39    42   0.20000  1.0 3.0
   63    33    39    45   0.62750  1.0 1.0
   63    33    39    45  -0.30950 -1.0 2.0
   63    33    39    45   0.27300  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    41   0.05850 -1.0 2.0
   39    33    37    41   0.17250  1.0 3.0
   39    33    63    52  -0.95700  1.0 1.0
   39    33    63    52  -0.18200 -1.0 2.0
   39    33    63    52   0.29450  1.0 3.0
   39    33    63    64   0.15000  1.0 3.0
   39    33    63    65   0.15000  1.0 3.0
   39    42    47    48   0.00000  1.0 1.0
   39    42    47    54   0.09850  1.0 1.0
   39    42    47    54   0.15250 -1.0 2.0
   39    42    47    54  -0.50650  1.0 3.0
   39    45    49    50   3.00000 -1.0 2.0
   39    45    49    55   1.63150  1.0 1.0
   39    45    49    55   2.92000 -1.0 2.0
   40    39    42    43   0.15000  1.0 3.0
   40    39    42    44   0.15000  1.0 3.0
   40    39    42    47   0.15000  1.0 3.0
   40    39    45    49   0.08050  1.0 3.0
   42    39    45    49  -0.25900  1.0 1.0
   42    39    45    49  -0.47000 -1.0 2.0
   42    39    45    49   0.11750  1.0 3.0
   42    47    54    66   7.00000 -1.0 2.0
   42    47    54    70   7.00000 -1.0 2.0
   43    42    47    48   0.33100  1.0 3.0
   43    42    47    54   0.00000  1.0 1.0
   44    42    47    48   0.33100  1.0 3.0
   44    42    47    54   0.00000  1.0 1.0
   47    54    66    67   0.00000  1.0 1.0
   47    54    66    68   0.00000  1.0 1.0
   47    54    66    69   0.00000  1.0 1.0
   47    54    70    71   0.00000  1.0 1.0
   47    54    70    72   0.00000  1.0 1.0
   47    54    70    73   0.00000  1.0 1.0
   48    47    54    66   7.00000 -1.0 2.0
   48    47    54    70   7.00000 -1.0 2.0
   66    54    70    71   0.34800  1.0 3.0
   66    54    70    72   0.34800  1.0 3.0
   66    54    70    73   0.34800  1.0 3.0
   70    54    66    67   0.34800  1.0 3.0
   70    54    66    68   0.34800  1.0 3.0
   70    54    66    69   0.34800  1.0 3.0
   45    39    42    43   0.23400  1.0 3.0
   45    39    42    44   0.23400  1.0 3.0
   45    39    42    47   0.61850  1.0 1.0
   45    39    42    47  -0.22750 -1.0 2.0
   45    39    42    47   0.15300  1.0 3.0
   45    49    55    56   0.00000  1.0 1.0
   45    49    55    57   0.00000  1.0 1.0
   45    49    55    58   0.00000  1.0 1.0
   50    49    55    56   0.00000  1.0 1.0
   50    49    55    57   0.00000  1.0 1.0
   50    49    55    58   0.00000  1.0 1.0
IPHI
    9     5     7     8  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    34    35  10.50000 -1.0 2.0
   33    41    37    38  10.50000 -1.0 2.0
   46    76    41    37   4.00000 -1.0 2.0
   51    52    46    41   4.00000 -1.0 2.0
   59    61    51    46   4.00000 -1.0 2.0
   74    60    59    51   1.10000 -1.0 2.0
   76    75    74    59   1.10000 -1.0 2.0
   74    77    76    41   4.00000 -1.0 2.0
   46    63    52    53  10.50000 -1.0 2.0
   42    48    47    54  15.00000 -1.0 2.0
   66    70    54    47  15.00000 -1.0 2.0
   45    55    49    50  10.50000 -1.0 2.0
END
