* LIGAND DATABASE FILE (OPLS2005)
*
001      82    85    148    237     435
    1     0 S   NP   _N1_     1    28.80562    93.02868   -25.19998
    2     1 S   H    _HN1     2     1.03040    80.79263    14.97153
    3     1 S   H    _H1_     3     1.02827    25.76016  -167.00446
    4     1 S   H    _H2_     4     1.02819   115.60617   -90.33325
    5     1 S   CT   _CA1     5     1.50008   123.20777   124.48098
    6     5 S   HC   _HA1     6     1.09599   104.95540    84.57738
    7     5 S   CO3  _C1_     7     1.53794   112.94955   -35.12136
    8     7 S   O2Z  _O11     8     1.26329   115.25983   -40.01181
    9     7 S   O2Z  _O12     9     1.26280   114.90129   139.21583
   10     5 S   CT   _CB1    10     1.53131   107.56583  -157.91786
   11    10 S   HC   HB11    11     1.09833   109.08115   -51.30722
   12    10 S   HC   HB12    12     1.09676   110.59354    65.17416
   13    10 S   CT   _CG1    13     1.53059   112.76485  -172.41224
   14    13 S   HC   HG11    14     1.09575   110.65114   -71.03505
   15    13 S   HC   HG12    15     1.09682   109.61832    48.11593
   16    13 S   C    _CD1    16     1.51871   112.23777   168.55341
   17    16 S   O    _OE1    17     1.22725   123.22291    14.37534
   18    16 S   N    _N2_    18     1.38715   111.73862  -165.50925
   19    18 S   H    _HN2    19     1.01576   118.87185    -0.16902
   20    18 S   CT1  _CA2    20     1.46140   123.43294   173.70278
   21    20 S   HC   _HA2    21     1.09571   109.31561     4.22095
   22    20 S   C    _C2_    22     1.53696   108.69248  -110.64211
   23    22 S   O    _O2_    23     1.23077   122.19236  -149.48056
   24    20 S   CT   _CB2    32     1.53280   111.80028   127.10795
   25    24 S   HC   HB21    33     1.09646   109.76915    57.67527
   26    24 S   HC   HB22    34     1.09560   111.06567   175.21406
   27    22 S   N    _N3_    24     1.38305   113.86319    38.05982
   28    27 S   H    _HN3    25     1.01566   119.61855    -3.37470
   29    24 S   S    _SG2    35     1.82796   114.40683   -62.49442
   30    27 S   CT   _CA3    26     1.45286   123.24597   177.12601
   31    30 S   HC   HA31    27     1.09548   107.50286   -64.69077
   32    30 S   HC   HA32    28     1.09555   108.00348    51.76314
   33    29 S   CT   _C14    36     1.83001    99.59805   -66.68501
   34    33 S   HC   _H11    37     1.09370   108.17671   -47.94581
   35    33 S   HC   _H12    38     1.09184   107.06048    70.03605
   36    30 S   CO3  _C3_    29     1.52965   114.04780   173.73584
   37    36 S   O2Z  _O31    30     1.26377   116.06362    -1.53761
   38    36 S   O2Z  _O32    31     1.26422   114.42308   178.52488
   39    33 S   CT   _C13    39     1.53431   110.70616  -169.04754
   40    39 S   HC   _H6_    40     1.09684   109.48807    51.68388
   41    39 S   CT   _C12    41     1.52842   115.08485   174.96923
   42    41 S   HC   _H5_    42     1.09769   109.13384  -156.40531
   43    41 S   CT   _C11    43     1.51581   103.04754    88.37047
   44    43 S   HC   _H4_    44     1.09417   113.29252   159.36335
   45    41 S   OH   _O34    81     1.41185   114.88543   -34.35421
   46    45 S   HO   _H13    82     0.97276   107.54368   -61.97850
   47    43 S   CT   _C10    45     1.53225   101.05902    37.94965
   48    47 S   HC   _H3_    46     1.09807   109.19625    81.71326
   49    43 S   OH   _O35    79     1.42543   110.10730   -80.02801
   50    49 S   HO   _H14    80     0.97343   106.92097   -53.89795
   51    47 S   CA   _C9_    47     1.51195   116.11350  -156.33910
   52    39 S   OS   _O33    78     1.44114   109.53163   -67.05091
   53    51 S   CA   _C4_    48     1.39940   121.75384   131.08195
   54    53 S   HA   _H7_    49     1.08733   120.88106    -0.83977
   55    53 S   CA   _C5_    50     1.39981   120.99571   179.42665
   56    55 S   HA   _H8_    51     1.08721   117.50218   179.74744
   57    55 S   CA   _C6_    52     1.40043   121.39095     0.11869
   58    57 S   CA   _C7_    53     1.40197   117.33418    -1.06349
   59    58 S   HA   _H9_    54     1.08821   120.06948  -179.49332
   60    57 S   NE   _N4_    57     1.38691   123.50218   178.70412
   61    60 S   H    _H15    58     1.01387   117.84819  -179.43421
   62    51 S   CA   _C8_    55     1.40008   120.29917   -50.81659
   63    62 S   HA   _H10    56     1.08732   120.45688     0.59347
   64    60 S   CT   _C15    59     1.45035   122.99596     1.15250
   65    64 S   HC   _H16    60     1.09646   110.71730    66.62680
   66    64 S   HC   _H17    61     1.09390   109.69512   -52.29919
   67    64 S   CA   _C16    62     1.50314   111.21134  -171.55717
   68    67 S   CA   _C17    63     1.38703   121.32108   -73.11236
   69    68 S   HA   _H18    64     1.08461   121.89811    -0.31959
   70    68 S   NB   _N5_    65     1.35223   122.79142   179.59993
   71    70 S   CA   _C18    66     1.34842   116.44305     0.11703
   72    71 S   CA   _C19    67     1.38203   120.46001    -0.00000
   73    72 S   C    _C20    68     1.46762   118.74064   179.63523
   74    73 S   O    _O36    69     1.22500   121.43024  -179.31300
   75    67 S   NB   _N6_    77     1.35332   117.77154   106.55023
   76    73 S   N    _N7_    70     1.38401   114.06142     0.45800
   77    76 S   H    _H19    71     1.01419   117.44594   179.86878
   78    76 S   CDX  _C21    72     1.38765   124.22605    -0.34092
   79    71 S   NI   _N8_    73     1.40294   116.54380   179.97202
   80    78 S   NE   _N9_    74     1.36555   115.95436  -179.89532
   81    80 S   H    _H20    75     1.01399   120.43057   180.00000
   82    80 S   H    _H21    76     1.01295   122.13811    -0.03956
  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   7   5   4   3
  10   5   4   2   1   1  12   6  11   7  11   7   4   1  11   5
   3   1  10   2   8   4   8   3  10   6   3   8   4   1   1   8
   4   3   7   6   3   6   8   7   7   4   2   6   3   4   3   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    52  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    47    52    45  
   35    39    40    41    52  
   39    40    41    52  
   37    38  
   38  
    0  
   40    41    42    43    44    47    48    51    52    49    45    46  
   41    42    43    47    52    45  
   42    43    44    47    48    51    52    49    50    45    46  
   43    44    47    52    49    45    46  
   44    47    48    51    53    62    52    49    50    45    46  
   47    48    51    52    49    50    45  
   46    47    49    52  
    0  
   48    51    53    54    55    58    62    63    52    49    50  
   51    53    62    52    49  
   50    51    52  
    0  
   53    54    55    56    57    58    59    62    63    52  
   53    62  
   54    55    56    57    58    62    63    60  
   55    56    57    62  
   56    57    58    59    62    60    61    64  
   57    58    60  
   58    59    62    63    60    61    64    65    66    67  
   59    62    63    60    61    64  
   62    63    60  
   61    64    65    66    67    68    75    62  
   64    65    66    67  
   63  
    0  
   65    66    67    68    69    70    72    75  
   66    67    68    75  
   67    68    75  
   68    69    70    71    72    73    75  
   69    70    71    72    79    75  
   70    71    75  
   71    72    73    78    79    75  
   72    73    74    76    78    79    80    75  
   73    74    76    77    78    79    75  
   74    76    77    78    79    80    75  
   76    77    78    75  
   76    79  
   77    78    79    80    81    82  
   78    79    80  
   79    80    81    82  
   80    81    82  
   81    82  
   82  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660   0.211800   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5500   0.0700  -0.041800   2.5000   1.7750   0.001000000  -0.843144165
   52   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5500   0.0700   0.200000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.3000   0.1700  -0.780000   1.8650   1.6500   0.051222218  -2.220205820
   61   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5000   0.0660   0.195000   2.4950   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   66   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   3.5500   0.0700   0.119000   2.0020   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700   0.192000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.042000   1.3810   1.2100   0.030040813   0.268726247
   70   3.2500   0.1700  -0.468000   1.8000   1.6000   0.001000000  -0.511443539
   71   3.5500   0.0700   0.264800   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5500   0.0700   0.119000   2.5000   1.7750   0.001000000  -0.843144165
   73   3.7500   0.1050   0.615000   1.9250   1.7000   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   75   3.2500   0.1700  -0.468000   1.8000   1.6000   0.001000000  -0.511443539
   76   3.2500   0.1700  -0.422500   2.1120   1.8750   0.051222218  -2.220205820
   77   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   78   3.7500   0.1050   0.679600   2.1120   1.8750   0.001000000  -0.126889456
   79   3.2800   0.1700  -0.522900   1.9250   1.7000   0.054801302  -2.445846770
   80   3.2500   0.1700  -0.785000   2.1120   1.8750   0.051222218  -2.220205820
   81   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   82   0.5000   0.0300   0.360000   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    52   320.000  1.410
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    45   320.000  1.410
   43    44   340.000  1.090
   43    47   268.000  1.529
   43    49   320.000  1.410
   47    48   340.000  1.090
   47    51   317.000  1.510
   47    52   320.000  1.410
   51    53   469.000  1.400
   51    62   469.000  1.400
   53    54   367.000  1.080
   53    55   469.000  1.400
   55    56   367.000  1.080
   55    57   469.000  1.400
   57    58   469.000  1.400
   57    60   481.000  1.340
   58    59   367.000  1.080
   58    62   469.000  1.400
   62    63   367.000  1.080
   60    61   434.000  1.010
   60    64   382.000  1.448
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   317.000  1.510
   67    68   469.000  1.400
   67    75   483.000  1.339
   68    69   367.000  1.080
   68    70   483.000  1.339
   70    71   483.000  1.339
   71    72   469.000  1.400
   71    79   400.000  1.385
   72    73   400.000  1.490
   72    75   483.000  1.339
   73    74   570.000  1.229
   73    76   490.000  1.335
   76    77   434.000  1.010
   76    78   400.000  1.380
   78    79   650.000  1.285
   78    80   445.000  1.380
   80    81   434.000  1.010
   80    82   434.000  1.010
   49    50   553.000  0.945
   45    46   553.000  0.945
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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    52    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    43    58.35000  112.70000
   39    41    45    50.00000  109.50000
   39    52    47    60.00000  109.50000
   41    39    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    47    58.35000  112.70000
   41    43    49    50.00000  109.50000
   41    45    46    55.00000  108.50000
   43    41    42    37.50000  110.70000
   43    47    48    37.50000  110.70000
   43    47    51    70.00000  112.17500
   43    47    52    50.00000  109.50000
   43    49    50    55.00000  108.50000
   47    43    44    37.50000  110.70000
   47    51    53    70.00000  120.00000
   47    51    62    70.00000  120.00000
   51    47    48    35.00000  109.50000
   51    53    54    35.00000  120.00000
   51    53    55    63.00000  120.00000
   51    62    58    63.00000  120.00000
   51    62    63    35.00000  120.00000
   53    55    56    35.00000  120.00000
   53    55    57    63.00000  120.00000
   55    53    54    35.00000  120.00000
   55    57    58    63.00000  120.00000
   55    57    60    70.00000  120.10000
   57    55    56    35.00000  120.00000
   57    58    59    35.00000  120.00000
   57    58    62    63.00000  120.00000
   57    60    61    35.00000  113.50000
   57    60    64    50.00000  120.00000
   58    62    63    35.00000  120.00000
   62    51    53    63.00000  120.00000
   62    58    59    35.00000  120.00000
   60    57    58    70.00000  120.10000
   60    64    65    35.00000  109.50000
   60    64    66    35.00000  109.50000
   60    64    67    75.00000  113.31400
   64    60    61    35.00000  112.50000
   64    67    68    70.00000  120.00000
   64    67    75    75.00000  115.74700
   66    64    65    33.00000  107.80000
   67    64    65    35.00000  109.50000
   67    64    66    35.00000  109.50000
   67    68    69    35.00000  120.00000
   67    68    70    70.00000  124.00000
   67    75    72    70.00000  117.00000
   68    70    71    70.00000  117.00000
   70    68    69    35.00000  116.00000
   70    71    72    70.00000  124.00000
   70    71    79    75.00000  118.65000
   71    72    73    85.00000  120.00000
   71    72    75    70.00000  124.00000
   71    79    78    70.00000  111.79000
   72    73    74    80.00000  120.40000
   72    73    76    75.00000  113.92100
   73    76    77    35.00000  119.80000
   73    76    78    70.00000  120.51600
   76    73    74    80.00000  122.90000
   76    78    79    80.00000  119.04400
   76    78    80    85.00000  111.44000
   78    76    77    45.00000  120.05200
   78    80    81    35.00000  119.50000
   78    80    82    35.00000  119.50000
   79    71    72    70.00000  120.44500
   80    78    79    75.00000  124.36500
   82    80    81    35.00000  109.00000
   75    67    68    70.00000  124.00000
   75    72    73    75.00000  117.56100
   52    39    40    35.00000  109.50000
   52    39    41    50.00000  109.50000
   52    47    48    35.00000  109.50000
   52    47    51    85.00000  111.85700
   49    43    44    35.00000  109.50000
   49    43    47    50.00000  109.50000
   45    41    42    35.00000  109.50000
   45    41    43    50.00000  109.50000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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   0.32350  1.0 3.0
   24    29    33    35   0.32350  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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    52   0.56750  1.0 1.0
   29    33    39    52  -0.07550 -1.0 2.0
   29    33    39    52   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.56750  1.0 1.0
   33    39    41    43  -0.07550 -1.0 2.0
   33    39    41    43   0.20000  1.0 3.0
   33    39    41    45   0.86500  1.0 1.0
   33    39    41    45  -0.17500 -1.0 2.0
   33    39    41    45   0.20800  1.0 3.0
   33    39    52    47   0.06250  1.0 1.0
   33    39    52    47  -0.01100 -1.0 2.0
   33    39    52    47   0.28050  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    52   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    52   0.23400  1.0 3.0
   39    41    43    44   0.15000  1.0 3.0
   39    41   -43    47   0.56750  1.0 1.0
   39    41   -43    47  -0.07550 -1.0 2.0
   39    41   -43    47   0.20000  1.0 3.0
   39    41    43    49   0.86500  1.0 1.0
   39    41    43    49  -0.17500 -1.0 2.0
   39    41    43    49   0.20800  1.0 3.0
   39    41    45    46  -0.11600  1.0 1.0
   39    41    45    46  -0.09450 -1.0 2.0
   39    41    45    46   0.21250  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    43   0.15000  1.0 3.0
   40    39    41    45   0.23400  1.0 3.0
   40    39    52    47   0.37050  1.0 3.0
   41    39   -52    47   0.06250  1.0 1.0
   41    39   -52    47  -0.01100 -1.0 2.0
   41    39   -52    47   0.28050  1.0 3.0
   41    43    47    48   0.15000  1.0 3.0
   41    43    47    51  -0.03700  1.0 1.0
   41    43    47    51   0.37200 -1.0 2.0
   41    43    47    51  -0.47300  1.0 3.0
   41    43   -47    52   0.62750  1.0 1.0
   41    43   -47    52  -0.30950 -1.0 2.0
   41    43   -47    52   0.27300  1.0 3.0
   41    43    49    50  -0.11600  1.0 1.0
   41    43    49    50  -0.09450 -1.0 2.0
   41    43    49    50   0.21250  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    47   0.15000  1.0 3.0
   42    41    43    49   0.23400  1.0 3.0
   42    41    45    46   0.19450  1.0 3.0
   43    41    45    46  -0.11600  1.0 1.0
   43    41    45    46  -0.09450 -1.0 2.0
   43    41    45    46   0.21250  1.0 3.0
   43    47    51    53   0.04150 -1.0 2.0
   43    47    51    62   0.04150 -1.0 2.0
   43    47   -52    39   0.06250  1.0 1.0
   43    47   -52    39  -0.01100 -1.0 2.0
   43    47   -52    39   0.28050  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    51   0.43200  1.0 3.0
   44    43    47    52   0.23400  1.0 3.0
   44    43    49    50   0.19450  1.0 3.0
   47    43    49    50  -0.11600  1.0 1.0
   47    43    49    50  -0.09450 -1.0 2.0
   47    43    49    50   0.21250  1.0 3.0
   47    51    53    54   3.62500 -1.0 2.0
   47    51    53    55   3.62500 -1.0 2.0
   47    51    62    58   3.62500 -1.0 2.0
   47    51    62    63   3.62500 -1.0 2.0
   48    47    51    53   0.00000  1.0 1.0
   48    47    51    62   0.00000  1.0 1.0
   48    47    52    39   0.37050  1.0 3.0
   51    47    52    39   0.37500  1.0 3.0
   51    53    55    56   3.62500 -1.0 2.0
   51    53    55    57   3.62500 -1.0 2.0
   53    51    62    58   3.62500 -1.0 2.0
   53    51    62    63   3.62500 -1.0 2.0
   53    55   -57    58   3.62500 -1.0 2.0
   53    55    57    60   3.62500 -1.0 2.0
   54    53    55    56   3.62500 -1.0 2.0
   54    53    55    57   3.62500 -1.0 2.0
   55    57    58    59   3.62500 -1.0 2.0
   55    57    58    62   3.62500 -1.0 2.0
   55    57    60    61   1.00000 -1.0 2.0
   55    57    60    64  -1.00000  1.0 1.0
   55    57    60    64   1.25000 -1.0 2.0
   56    55    57    58   3.62500 -1.0 2.0
   56    55    57    60   3.62500 -1.0 2.0
   57    58   -62    51   3.62500 -1.0 2.0
   57    58    62    63   3.62500 -1.0 2.0
   57    60    64    65   0.00000  1.0 1.0
   57    60    64    66   0.00000  1.0 1.0
   57    60    64    67  -0.82250  1.0 1.0
   57    60    64    67   0.55550 -1.0 2.0
   57    60    64    67   0.36950  1.0 3.0
   58    57    60    61   1.00000 -1.0 2.0
   58    57    60    64  -1.00000  1.0 1.0
   58    57    60    64   1.25000 -1.0 2.0
   59    58    62    51   3.62500 -1.0 2.0
   59    58    62    63   3.62500 -1.0 2.0
   62    51    53    54   3.62500 -1.0 2.0
   62    51   -53    55   3.62500 -1.0 2.0
   60    57    58    59   3.62500 -1.0 2.0
   60    57    58    62   3.62500 -1.0 2.0
   60    64    67    68  -0.06000  1.0 1.0
   60    64    67    68   0.30500 -1.0 2.0
   60    64    67    68   0.09200  1.0 3.0
   60    64    67    75   0.04300 -1.0 2.0
   61    60    64    65   0.00000  1.0 1.0
   61    60    64    66   0.00000  1.0 1.0
   61    60    64    67   0.00000  1.0 1.0
   64    67    68    69   3.62500 -1.0 2.0
   64    67    68    70   3.62500 -1.0 2.0
   64    67    75    72   3.62500 -1.0 2.0
   65    64    67    68   0.00000  1.0 1.0
   65    64    67    75   0.00000  1.0 1.0
   66    64    67    68   0.00000  1.0 1.0
   66    64    67    75   0.00000  1.0 1.0
   67    68    70    71   3.62500 -1.0 2.0
   68    67    75    72   3.62500 -1.0 2.0
   68    70   -71    72   3.62500 -1.0 2.0
   68    70    71    79   3.62500 -1.0 2.0
   69    68    70    71   3.62500 -1.0 2.0
   70    71    72    73   3.62500 -1.0 2.0
   70    71    72    75   3.62500 -1.0 2.0
   70    71    79    78   1.25000 -1.0 2.0
   71    72    73    74   1.05000 -1.0 2.0
   71    72    73    76   0.75700  1.0 1.0
   71    72    73    76   0.34650 -1.0 2.0
   71    72    73    76   0.33000  1.0 3.0
   71    72    73    76  -0.28100 -1.0 4.0
   71    72   -75    67   3.62500 -1.0 2.0
   72    71    79    78   1.25000 -1.0 2.0
   72    73    76    77   2.56700 -1.0 2.0
   72    73   -76    78   2.45000 -1.0 2.0
   73    72    75    67   3.62500 -1.0 2.0
   73    76    78    79  -0.56400  1.0 1.0
   73    76    78    79   0.77500 -1.0 2.0
   73    76    78    79   0.18700  1.0 3.0
   73    76    78    80  -0.56400  1.0 1.0
   73    76    78    80   0.77500 -1.0 2.0
   73    76    78    80   0.18700  1.0 3.0
   74    73    76    77   2.45000 -1.0 2.0
   74    73    76    78   2.67200 -1.0 2.0
   76    78   -79    71   6.00000 -1.0 2.0
   76    78    80    81   1.00000 -1.0 2.0
   76    78    80    82   1.00000 -1.0 2.0
   77    76    78    79   1.00000 -1.0 2.0
   77    76    78    80   1.00000 -1.0 2.0
   79    71   -72    73   3.62500 -1.0 2.0
   79    71    72    75   3.62500 -1.0 2.0
   79    78    80    81   1.50000 -1.0 2.0
   79    78    80    82   1.50000 -1.0 2.0
   80    78    79    71   6.00000 -1.0 2.0
   75    67    68    69   3.62500 -1.0 2.0
   75    67   -68    70   3.62500 -1.0 2.0
   75    72    73    74   1.05000 -1.0 2.0
   75    72    73    76   1.61600  1.0 1.0
   75    72    73    76  -0.04750 -1.0 2.0
   75    72    73    76   0.11700  1.0 3.0
   52    39    41    42   0.23400  1.0 3.0
   52    39   -41    43   0.62750  1.0 1.0
   52    39   -41    43  -0.30950 -1.0 2.0
   52    39   -41    43   0.27300  1.0 3.0
   52    39    41    45   3.69350  1.0 1.0
   52    39    41    45  -1.82950 -1.0 2.0
   52    47    51    53   0.64500  1.0 1.0
   52    47    51    53   0.14800 -1.0 2.0
   52    47    51    53   0.20650  1.0 3.0
   52    47    51    62   0.64500  1.0 1.0
   52    47    51    62   0.14800 -1.0 2.0
   52    47    51    62   0.20650  1.0 3.0
   49    43    47    48   0.23400  1.0 3.0
   49    43    47    51   1.13150  1.0 1.0
   49    43    47    51  -1.01400 -1.0 2.0
   49    43    47    52   3.69350  1.0 1.0
   49    43    47    52  -1.82950 -1.0 2.0
   45    41    43    44   0.23400  1.0 3.0
   45    41    43    47   0.86500  1.0 1.0
   45    41    43    47  -0.17500 -1.0 2.0
   45    41    43    47   0.20800  1.0 3.0
   45    41    43    49   3.75450  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
   37    30    36    38  10.50000 -1.0 2.0
   53    62    51    47   4.00000 -1.0 2.0
   55    54    53    51   1.10000 -1.0 2.0
   57    56    55    53   1.10000 -1.0 2.0
   58    60    57    55   4.00000 -1.0 2.0
   62    59    58    57   1.10000 -1.0 2.0
   58    63    62    51   1.10000 -1.0 2.0
   61    57    60    64   1.00000 -1.0 2.0
   68    75    67    64   4.00000 -1.0 2.0
   70    69    68    67   1.10000 -1.0 2.0
   72    79    71    70   4.00000 -1.0 2.0
   73    75    72    71   4.00000 -1.0 2.0
   72    76    73    74  10.50000 -1.0 2.0
   77    73    76    78   1.00000 -1.0 2.0
   76    80    78    79  10.50000 -1.0 2.0
   82    78    80    81   1.00000 -1.0 2.0
END
