* LIGAND DATABASE FILE (OPLS2005)
*
001      83    84    143    215     414
    1     0 S   NP   _N1_     1    28.80758    96.79056   -23.63329
    2     1 S   H    _HN1     2     1.02953    71.49683    11.88418
    3     1 S   H    _H1_     3     1.02830    38.90263   167.10367
    4     1 S   H    _H2_     4     1.02787   104.98842   -92.84300
    5     1 S   CT   _CA1     5     1.50108   139.16522   111.96831
    6     5 S   HC   _HA1     6     1.09575   105.20794    92.66375
    7     5 S   CO3  _C1_     7     1.53797   112.45070   -27.59232
    8     7 S   O2Z  _O11     8     1.26373   115.01102   -42.96856
    9     7 S   O2Z  _O12     9     1.26244   114.94598   136.20279
   10     5 S   CT   _CB1    10     1.53085   107.42572  -149.34856
   11    10 S   HC   HB11    11     1.09833   109.39667   -49.79614
   12    10 S   HC   HB12    12     1.09815   110.43814    66.81767
   13    10 S   CT   _CG1    13     1.52986   112.58991  -170.78070
   14    13 S   HC   HG11    14     1.09585   110.60541   -64.96130
   15    13 S   HC   HG12    15     1.09670   109.81245    54.26338
   16    13 S   C    _CD1    16     1.51798   112.26881   174.72504
   17    16 S   O    _OE1    17     1.22728   123.30196     5.49854
   18    16 S   N    _N2_    18     1.38650   111.63846  -174.60733
   19    18 S   H    _HN2    19     1.01581   118.93443     1.88180
   20    18 S   CT1  _CA2    20     1.46195   123.40731   177.89895
   21    20 S   HC   _HA2    21     1.09735   109.38141     1.65398
   22    20 S   C    _C2_    22     1.53532   108.55276  -113.84521
   23    22 S   O    _O2_    23     1.23053   122.31634  -147.52551
   24    20 S   CT   _CB2    32     1.53320   111.57357   123.67652
   25    24 S   HC   HB21    33     1.09588   110.07409    56.22165
   26    24 S   HC   HB22    34     1.09462   109.95077   175.31834
   27    22 S   N    _N3_    24     1.38338   113.66226    39.90156
   28    27 S   H    _HN3    25     1.01591   119.57843    -3.34059
   29    24 S   S    _SG2    35     1.82848   111.50826   -64.73477
   30    27 S   CT   _CA3    26     1.45287   123.19839   177.11235
   31    30 S   HC   HA31    27     1.09550   107.51054   -64.48491
   32    30 S   HC   HA32    28     1.09557   107.98174    51.94917
   33    29 S   CT   _C17    36     1.84232    99.70460   172.41951
   34    33 S   HC   _H3_    37     1.09705   106.28136   -51.17438
   35    30 S   CO3  _C3_    29     1.52957   114.08626   173.94265
   36    35 S   O2Z  _O31    30     1.26374   116.06629    -0.79204
   37    35 S   O2Z  _O32    31     1.26428   114.41282   179.27100
   38    33 S   CA   _C18    38     1.51969   111.51917    68.23661
   39    33 S   CT   _C16    54     1.53904   108.20671  -166.66045
   40    39 S   HC   _H15    55     1.09761   110.46909    52.50000
   41    39 S   HC   _H16    56     1.09582   111.25125   -66.90549
   42    38 S   CA   _C19    39     1.40303   119.38626  -114.04368
   43    42 S   HA   _H17    40     1.08753   120.41087    -0.09891
   44    39 S   CO4  _C15    57     1.52352   112.99992   170.89495
   45    44 S   O    _O36    58     1.23082   122.53656   -21.39154
   46    42 S   CA   _C20    41     1.39369   120.71069   179.98022
   47    46 S   HA   _H18    42     1.08614   119.35435  -179.96574
   48    44 S   CT   _C14    59     1.51283   116.64453   160.83037
   49    48 S   HC   _H13    60     1.09535   108.02874    45.93342
   50    48 S   HC   _H14    61     1.09588   108.11823   162.71846
   51    46 S   CA   _C21    43     1.39385   119.66356     0.15066
   52    48 S   CO4  _C13    62     1.51115   114.21274   -76.52519
   53    52 S   O    _O35    63     1.22788   122.55583    -7.20045
   54    51 S   CA   _C22    44     1.39873   121.05851     0.01978
   55    51 S   OH   _O38    52     1.37028   119.82193   179.90721
   56    55 S   HO   _H23    53     0.97201   108.76853    -0.09279
   57    52 S   CM   _C12    64     1.49179   115.69029   173.24527
   58    57 S   HC   _H12    65     1.08415   116.98911     1.09110
   59    38 S   CA   _C23    45     1.40799   121.89529    65.89016
   60    59 S   HA   _H19    46     1.08594   118.40137    -0.42290
   61    54 S   OS   _O37    47     1.37075   116.09393   179.85329
   62    57 S   CM   _C11    66     1.34050   120.27862  -179.51342
   63    62 S   HC   _H11    67     1.08786   120.31637    -0.93837
   64    61 S   CT   _C24    48     1.42231   117.11315  -175.94435
   65    64 S   HC   _H20    49     1.09429   107.73703   177.51525
   66    64 S   HC   _H21    50     1.09513   111.25134    59.75026
   67    64 S   HC   _H22    51     1.09489   111.06224   -64.83003
   68    62 S   CA   _C7_    68     1.47293   124.31124  -179.50032
   69    68 S   CA   _C8_    69     1.40172   118.38217   149.44487
   70    69 S   HA   _H8_    70     1.08813   120.63999    -1.62365
   71    69 S   CA   _C9_    71     1.39439   120.63367   178.80155
   72    71 S   HA   _H9_    72     1.08622   119.37009   179.54933
   73    71 S   CA   _C10    73     1.39372   119.64641    -0.54321
   74    73 S   CA   _C5_    74     1.39919   121.03615    -0.24945
   75    73 S   OH   _O34    82     1.37011   119.83971   180.00000
   76    75 S   HO   _H10    83     0.97206   108.81781    -0.15451
   77    68 S   CA   _C6_    75     1.40653   122.61814   -33.18565
   78    77 S   HA   _H7_    76     1.08595   118.83420     0.61294
   79    74 S   OS   _O33    77     1.37085   115.98128  -179.51061
   80    79 S   CT   _C4_    78     1.42211   117.26725  -179.41717
   81    80 S   HC   _H4_    79     1.09429   107.74873   179.31130
   82    80 S   HC   _H5_    80     1.09500   111.17220    61.56744
   83    80 S   HC   _H6_    81     1.09495   111.11258   -62.98608
  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   9   5   4   3
  14   7   2   1   1  13  10   4   3   8   4   7   4   7   3   7
   4   3   7   6   3   9   3   1   6   3   3   1   4   8   3   3
   2   1   1   9   8   4   7   3   7   9   3   1   3   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    59    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    46    54    59    60    39    40    41    44    45    48  
   38    42    59    39    40    41    44  
   36    37  
   37  
    0  
   42    43    46    47    51    54    59    60    61    39    40    41    44  
   40    41    44    45    48    49    50    52    42    59  
   41    44    45    48  
   44    45    48  
   43    46    47    51    54    59    60    55  
   46    47    51    59  
   45    48    49    50    52    53    57  
   48    49    50    52  
   47    51    54    59    61    55    56  
   51    54    55  
   49    50    52    53    57    58    62  
   50    52    53    57  
   52    53    57  
   54    59    60    61    64    55    56  
   53    57    58    62    63    68  
   57    58    62  
   59    60    61    64    65    66    67    55    56  
   56    59    61  
    0  
   58    62    63    68    69    77  
   62    63    68  
   60    61    64  
   61  
   64    65    66    67  
   63    68    69    70    71    74    77    78  
   68    69    77  
   65    66    67  
   66    67  
   67  
    0  
   69    70    71    72    73    74    77    78    79  
   70    71    72    73    74    77    78    75  
   71    72    73    77  
   72    73    74    77    79    75    76  
   73    74    75  
   74    77    78    79    80    75    76  
   77    78    79    80    81    82    83    75    76  
   76    77    79  
    0  
   78    79    80  
   79  
   80    81    82    83  
   81    82    83  
   82    83  
   83  
    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   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   43   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   52   3.7500   0.1050   0.470000   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   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   55   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   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   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   74   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   75   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   77   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   79   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   80   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    42   469.000  1.400
   38    59   469.000  1.400
   42    43   367.000  1.080
   42    46   469.000  1.400
   46    47   367.000  1.080
   46    51   469.000  1.400
   51    54   469.000  1.400
   51    55   450.000  1.364
   54    59   469.000  1.400
   54    61   450.000  1.364
   59    60   367.000  1.080
   61    64   320.000  1.410
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   55    56   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   317.000  1.522
   44    45   570.000  1.229
   44    48   317.000  1.522
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    52   317.000  1.522
   52    53   570.000  1.229
   52    57   320.000  1.462
   57    58   340.000  1.080
   57    62   549.000  1.340
   62    63   340.000  1.080
   62    68   320.000  1.460
   68    69   469.000  1.400
   68    77   469.000  1.400
   69    70   367.000  1.080
   69    71   469.000  1.400
   71    72   367.000  1.080
   71    73   469.000  1.400
   73    74   469.000  1.400
   73    75   450.000  1.364
   74    77   469.000  1.400
   74    79   450.000  1.364
   77    78   367.000  1.080
   79    80   320.000  1.410
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   75    76   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    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    35.00000  109.50000
   29    33    38    80.00000  109.48900
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  120.00000
   33    38    59    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    63.00000  111.10000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    46    63.00000  120.00000
   38    59    54    63.00000  120.00000
   38    59    60    35.00000  120.00000
   42    46    47    35.00000  120.00000
   42    46    51    63.00000  120.00000
   46    42    43    35.00000  120.00000
   46    51    54    63.00000  120.00000
   46    51    55    70.00000  120.00000
   51    46    47    35.00000  120.00000
   51    54    59    63.00000  120.00000
   51    54    61    70.00000  120.00000
   51    55    56    35.00000  113.00000
   54    59    60    35.00000  120.00000
   54    61    64    75.00000  111.00000
   59    38    42    63.00000  120.00000
   61    54    59    70.00000  120.00000
   61    64    65    35.00000  109.50000
   61    64    66    35.00000  109.50000
   61    64    67    35.00000  109.50000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   55    51    54    70.00000  120.00000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    44    45    80.00000  120.40000
   39    44    48    70.00000  116.00000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   44    48    49    35.00000  109.50000
   44    48    50    35.00000  109.50000
   44    48    52    75.00000  107.99600
   48    44    45    80.00000  120.40000
   48    52    53    80.00000  120.40000
   48    52    57    65.00000  118.62400
   50    48    49    33.00000  107.80000
   52    48    49    35.00000  109.50000
   52    48    50    35.00000  109.50000
   52    57    58    40.00000  117.72500
   52    57    62    65.00000  118.96000
   57    52    53    80.00000  123.72100
   57    62    63    35.00000  120.00000
   57    62    68    60.00000  123.20500
   62    57    58    35.00000  120.00000
   62    68    69    60.00000  120.93500
   62    68    77    60.00000  120.93500
   68    62    63    40.00000  117.26300
   68    69    70    35.00000  120.00000
   68    69    71    63.00000  120.00000
   68    77    74    63.00000  120.00000
   68    77    78    35.00000  120.00000
   69    71    72    35.00000  120.00000
   69    71    73    63.00000  120.00000
   71    69    70    35.00000  120.00000
   71    73    74    63.00000  120.00000
   71    73    75    70.00000  120.00000
   73    71    72    35.00000  120.00000
   73    74    77    63.00000  120.00000
   73    74    79    70.00000  120.00000
   73    75    76    35.00000  113.00000
   74    77    78    35.00000  120.00000
   74    79    80    75.00000  111.00000
   77    68    69    63.00000  120.00000
   79    74    77    70.00000  120.00000
   79    80    81    35.00000  109.50000
   79    80    82    35.00000  109.50000
   79    80    83    35.00000  109.50000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   75    73    74    70.00000  120.00000
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   0.32350  1.0 3.0
   24    29    33    38  -0.23050  1.0 1.0
   24    29    33    38   0.06200 -1.0 2.0
   24    29    33    38   0.47200  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    38    42  -0.16000  1.0 1.0
   29    33    38    42  -0.03200 -1.0 2.0
   29    33    38    42   0.04500  1.0 3.0
   29    33    38    59  -0.16000  1.0 1.0
   29    33    38    59  -0.03200 -1.0 2.0
   29    33    38    59   0.04500  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    38    42    43   3.62500 -1.0 2.0
   33    38    42    46   3.62500 -1.0 2.0
   33    38    59    54   3.62500 -1.0 2.0
   33    38    59    60   3.62500 -1.0 2.0
   33    39    44    45   0.30150 -1.0 2.0
   33    39    44    48   0.60050  1.0 1.0
   33    39    44    48   0.05600 -1.0 2.0
   33    39    44    48   0.26150  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    59   0.00000  1.0 1.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    44  -0.11250  1.0 3.0
   38    33    39    40   0.43200  1.0 3.0
   38    33    39    41   0.43200  1.0 3.0
   38    33    39    44   0.56750  1.0 1.0
   38    33    39    44  -0.07550 -1.0 2.0
   38    33    39    44   0.20000  1.0 3.0
   38    42    46    47   3.62500 -1.0 2.0
   38    42    46    51   3.62500 -1.0 2.0
   42    38    59    54   3.62500 -1.0 2.0
   42    38    59    60   3.62500 -1.0 2.0
   42    46   -51    54   3.62500 -1.0 2.0
   42    46    51    55   3.62500 -1.0 2.0
   43    42    46    47   3.62500 -1.0 2.0
   43    42    46    51   3.62500 -1.0 2.0
   46    51    54    59   3.62500 -1.0 2.0
   46    51    54    61   3.62500 -1.0 2.0
   46    51    55    56   0.84100 -1.0 2.0
   47    46    51    54   3.62500 -1.0 2.0
   47    46    51    55   3.62500 -1.0 2.0
   51    54   -59    38   3.62500 -1.0 2.0
   51    54    59    60   3.62500 -1.0 2.0
   51    54    61    64   1.63200 -1.0 2.0
   54    51    55    56   0.84100 -1.0 2.0
   54    61    64    65   0.08050  1.0 3.0
   54    61    64    66   0.08050  1.0 3.0
   54    61    64    67   0.08050  1.0 3.0
   59    38    42    43   3.62500 -1.0 2.0
   59    38   -42    46   3.62500 -1.0 2.0
   59    54    61    64   1.63200 -1.0 2.0
   61    54    59    38   3.62500 -1.0 2.0
   61    54    59    60   3.62500 -1.0 2.0
   55    51    54    59   3.62500 -1.0 2.0
   55    51    54    61   3.62500 -1.0 2.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33    38    59   0.04150 -1.0 2.0
   39    44    48    49   0.00000  1.0 1.0
   39    44    48    50   0.00000  1.0 1.0
   39    44    48    52   0.65300  1.0 1.0
   39    44    48    52  -0.03850 -1.0 2.0
   39    44    48    52   0.33900  1.0 3.0
   40    39    44    45   0.00000  1.0 1.0
   40    39    44    48   0.00000  1.0 1.0
   41    39    44    45   0.00000  1.0 1.0
   41    39    44    48   0.00000  1.0 1.0
   44    48    52    53   0.30150 -1.0 2.0
   44    48    52    57   0.65300  1.0 1.0
   44    48    52    57  -0.03850 -1.0 2.0
   44    48    52    57   0.33900  1.0 3.0
   45    44    48    49   0.00000  1.0 1.0
   45    44    48    50   0.00000  1.0 1.0
   45    44    48    52   0.30150 -1.0 2.0
   48    52    57    58   0.04550  1.0 1.0
   48    52    57    58   0.83000 -1.0 2.0
   48    52    57    58  -0.04000  1.0 3.0
   48    52    57    62  -0.33500  1.0 1.0
   48    52    57    62   1.06600 -1.0 2.0
   48    52    57    62  -0.14000  1.0 3.0
   49    48    52    53   0.00000  1.0 1.0
   49    48    52    57   0.00000  1.0 1.0
   50    48    52    53   0.00000  1.0 1.0
   50    48    52    57   0.00000  1.0 1.0
   52    57    62    63   7.00000 -1.0 2.0
   52    57    62    68   7.00000 -1.0 2.0
   53    52    57    58   0.00000  1.0 1.0
   53    52    57    62   1.00000 -1.0 2.0
   57    62    68    69   0.15800  1.0 1.0
   57    62    68    69   1.85350 -1.0 2.0
   57    62    68    69  -0.48700  1.0 3.0
   57    62    68    77   0.15800  1.0 1.0
   57    62    68    77   1.85350 -1.0 2.0
   57    62    68    77  -0.48700  1.0 3.0
   58    57    62    63   7.00000 -1.0 2.0
   58    57    62    68   7.00000 -1.0 2.0
   62    68    69    70   3.62500 -1.0 2.0
   62    68    69    71   3.62500 -1.0 2.0
   62    68    77    74   3.62500 -1.0 2.0
   62    68    77    78   3.62500 -1.0 2.0
   63    62    68    69   0.56550  1.0 3.0
   63    62    68    77   0.56550  1.0 3.0
   68    69    71    72   3.62500 -1.0 2.0
   68    69    71    73   3.62500 -1.0 2.0
   69    68    77    74   3.62500 -1.0 2.0
   69    68    77    78   3.62500 -1.0 2.0
   69    71   -73    74   3.62500 -1.0 2.0
   69    71    73    75   3.62500 -1.0 2.0
   70    69    71    72   3.62500 -1.0 2.0
   70    69    71    73   3.62500 -1.0 2.0
   71    73    74    77   3.62500 -1.0 2.0
   71    73    74    79   3.62500 -1.0 2.0
   71    73    75    76   0.84100 -1.0 2.0
   72    71    73    74   3.62500 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    74   -77    68   3.62500 -1.0 2.0
   73    74    77    78   3.62500 -1.0 2.0
   73    74    79    80   1.63200 -1.0 2.0
   74    73    75    76   0.84100 -1.0 2.0
   74    79    80    81   0.08050  1.0 3.0
   74    79    80    82   0.08050  1.0 3.0
   74    79    80    83   0.08050  1.0 3.0
   77    68    69    70   3.62500 -1.0 2.0
   77    68   -69    71   3.62500 -1.0 2.0
   77    74    79    80   1.63200 -1.0 2.0
   79    74    77    68   3.62500 -1.0 2.0
   79    74    77    78   3.62500 -1.0 2.0
   75    73    74    77   3.62500 -1.0 2.0
   75    73    74    79   3.62500 -1.0 2.0
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
   42    59    38    33   4.00000 -1.0 2.0
   46    43    42    38   1.10000 -1.0 2.0
   51    47    46    42   1.10000 -1.0 2.0
   54    55    51    46   4.00000 -1.0 2.0
   59    61    54    51   4.00000 -1.0 2.0
   54    60    59    38   1.10000 -1.0 2.0
   39    48    44    45  10.50000 -1.0 2.0
   48    57    52    53  10.50000 -1.0 2.0
   52    58    57    62  15.00000 -1.0 2.0
   68    63    62    57  15.00000 -1.0 2.0
   69    77    68    62   4.00000 -1.0 2.0
   71    70    69    68   1.10000 -1.0 2.0
   73    72    71    69   1.10000 -1.0 2.0
   74    75    73    71   4.00000 -1.0 2.0
   77    79    74    73   4.00000 -1.0 2.0
   74    78    77    68   1.10000 -1.0 2.0
END
