* LIGAND DATABASE FILE (OPLS2005)
*
001      80    81    137    207     397
    1     0 S   NP   _N1_     1    29.32121    93.55440   -19.13735
    2     1 S   H    _HN1     2     1.02881   115.81290    12.94313
    3     1 S   H    _H1_     3     1.03462    65.57650   110.62283
    4     1 S   H    _H2_     4     1.02701    41.55598   -76.66245
    5     1 S   CT   _CA1     5     1.50101   132.21972  -153.04045
    6     5 S   HC   _HA1     6     1.09558   104.97039   -21.14155
    7     5 S   CO3  _C1_     7     1.53820   112.70411  -141.30379
    8     7 S   O2Z  _O11     8     1.26360   115.08725   -31.68771
    9     7 S   O2Z  _O12     9     1.26306   115.07754   148.10387
   10     5 S   CT   _CB1    10     1.53394   107.46299    96.97254
   11    10 S   HC   HB11    11     1.09833   108.74973   -43.70057
   12    10 S   HC   HB12    12     1.09781   110.14779    72.31027
   13    10 S   CT   _CG1    13     1.53303   113.40170  -162.79316
   14    13 S   HC   HG11    14     1.09554   112.39240     8.58543
   15    13 S   HC   HG12    15     1.09734   109.42198   126.20795
   16    13 S   C    _CD1    16     1.51493   111.93288  -115.63775
   17    16 S   O    _OE1    17     1.22894   121.52246   -92.06406
   18    16 S   N    _N2_    18     1.38073   113.21774    87.14624
   19    18 S   H    _HN2    19     1.01815   119.11427     3.67056
   20    18 S   CT1  _CA2    20     1.45713   123.05072   177.31168
   21    20 S   HC   _HA2    21     1.09721   109.12492    22.21407
   22    20 S   C    _C2_    22     1.53048   107.28093   -94.84204
   23    22 S   O    _O2_    23     1.22947   123.11947   -22.45215
   24    20 S   CT   _CB2    32     1.53116   112.15444   145.58944
   25    24 S   HC   HB21    33     1.09547   109.90305    53.33572
   26    24 S   HC   HB22    34     1.09505   110.05205   172.18242
   27    22 S   N    _N3_    24     1.38716   112.33290   160.46188
   28    27 S   H    _HN3    25     1.01502   119.63658    -0.03956
   29    24 S   S    _SG2    35     1.82603   111.66106   -67.63376
   30    27 S   CT   _CA3    26     1.45404   122.68194   173.62203
   31    30 S   HC   HA31    27     1.09547   108.78986    33.75079
   32    30 S   HC   HA32    28     1.09475   107.15688   150.90550
   33    29 S   CT   _C18    36     1.84468    99.54998  -168.11151
   34    33 S   HC   _H3_    37     1.09638   106.40130    53.88332
   35    30 S   CO3  _C3_    29     1.53190   114.00225   -88.91976
   36    35 S   O2Z  _O31    30     1.26350   116.19337   -22.19033
   37    35 S   O2Z  _O32    31     1.26475   114.42875   158.66362
   38    33 S   CA   _C13    38     1.52129   111.35015   -64.30098
   39    33 S   CT   _C19    75     1.53664   109.76727   170.50237
   40    39 S   HC   _H16    76     1.09910   109.11954   171.17323
   41    39 S   HC   _H17    77     1.09813   110.97586    54.57263
   42    38 S   CA   _C12    39     1.40401   122.09228   -74.09855
   43    42 S   HA   _H10    40     1.08924   119.36843    -0.36099
   44    39 S   CO3  _C20    78     1.53397   116.14926   -70.11444
   45    44 S   O2Z  _O38    79     1.26183   116.31431   -28.94371
   46    44 S   O2Z  _O37    80     1.26474   114.36298   152.29218
   47    42 S   CA   _C11    41     1.40648   121.63526   179.79633
   48    47 S   CA   _C9_    42     1.47391   119.22619   177.86558
   49    47 S   CA   _C16    64     1.40809   118.00418    -1.61168
   50    48 S   CA   _C8_    43     1.40588   119.29577    73.40310
   51    50 S   HA   _H8_    44     1.09016   118.97638    -0.00000
   52    49 S   CA   _C15    65     1.40309   121.47486     0.90957
   53    49 S   OH   _O35    73     1.37494   121.48122  -178.74742
   54    53 S   HO   _H12    74     0.97075   109.81872     6.65767
   55    50 S   CA   _C7_    45     1.40299   121.42110   179.19400
   56    38 S   CA   _C14    66     1.40542   119.19217   104.79878
   57    56 S   HA   _H11    67     1.08675   118.18647     0.91514
   58    52 S   OS   _O36    68     1.37212   116.17346  -179.79158
   59    55 S   CA   _C6_    46     1.40191   119.25381    -1.28694
   60    59 S   HA   _H7_    47     1.08680   118.36396  -178.96827
   61    55 S   CM   _C21    57     1.47092   121.98562  -178.83736
   62    61 S   HC   _H18    58     1.08682   115.80760   138.62820
   63    58 S   CT   _C17    69     1.42321   117.04575   171.10653
   64    63 S   HC   _H13    70     1.09428   107.71982  -174.73411
   65    63 S   HC   _H14    71     1.09476   110.97218    67.67479
   66    63 S   HC   _H15    72     1.09520   111.32292   -56.92068
   67    59 S   CA   _C5_    48     1.39788   120.71671     1.76503
   68    61 S   CM   _C22    59     1.34025   123.24561   -42.94577
   69    68 S   HC   _H19    60     1.08825   119.91218    -0.26095
   70    48 S   CA   _C10    49     1.40837   122.76579  -107.25767
   71    67 S   OS   _O33    52     1.37215   124.91872   179.21765
   72    68 S   CO3  _C23    61     1.53242   121.95990  -179.59266
   73    72 S   O2Z  _O40    62     1.26166   117.14739     1.62751
   74    72 S   O2Z  _O39    63     1.26753   113.66415  -178.36075
   75    70 S   OH   _O34    50     1.37507   121.45784     1.69777
   76    75 S   HO   _H9_    51     0.97088   109.85224     6.14771
   77    71 S   CT   _C4_    53     1.42216   117.29293    -0.29674
   78    77 S   HC   _H4_    54     1.09430   107.73850  -179.82529
   79    77 S   HC   _H5_    55     1.09495   111.13978    62.47148
   80    77 S   HC   _H6_    56     1.09496   111.15321   -62.11300
  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   7   4   3  10   4   2   1   1  13  13
   9  10   4   9   3   1  10   3   1   4   9   4   7   3   3   2
   1   1   8   4   3   4   5   2   1   1   1   1   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    56    39    40    41    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    47    52    56    57    39    40    41    44    45    46  
   38    42    56    39    40    41    44  
   36    37  
   37  
    0  
   42    43    47    48    49    52    56    57    58    39    40    41    44  
   40    41    44    45    46    42    56  
   41    44    45    46  
   44    45    46  
   43    47    48    50    70    49    52    56    57    53  
   47    48    49    56  
   45    46  
   46  
    0  
   48    50    51    55    67    70    75    49    52    56    58    53    54  
   50    51    55    59    67    70    75    76    71    61    49    52    53  
   52    56    57    58    63    53    54    50    70  
   51    55    59    60    67    70    75    61    62    68  
   55    59    70    61  
   56    57    58    63    64    65    66    53    54  
   54    56    58  
    0  
   59    60    67    70    71    61    62    68    69    72  
   57    58    63  
   58  
   63    64    65    66  
   60    67    70    75    71    77    61    62    68  
   67    70    71    61  
   62    68    69    72    73    74    67  
   68    69    72  
   64    65    66  
   65    66  
   66  
    0  
   70    75    76    71    77    78    79    80  
   69    72    73    74  
   72    73    74  
   75    76    71    77  
   77    78    79    80    75  
   73    74  
   74  
    0  
   76  
    0  
   78    79    80  
   79    80  
   80  
    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  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.3810   1.2100   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   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   47   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0760  -0.425300   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   72   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   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   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   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    56   469.000  1.400
   42    43   367.000  1.080
   42    47   469.000  1.400
   47    48   375.000  1.464
   47    49   469.000  1.400
   48    50   469.000  1.400
   48    70   469.000  1.400
   50    51   367.000  1.080
   50    55   469.000  1.400
   55    59   469.000  1.400
   55    61   320.000  1.460
   59    60   367.000  1.080
   59    67   469.000  1.400
   67    70   469.000  1.400
   67    71   450.000  1.364
   70    75   450.000  1.364
   75    76   553.000  0.945
   71    77   320.000  1.410
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   61    62   340.000  1.080
   61    68   549.000  1.340
   68    69   340.000  1.080
   68    72   230.000  1.545
   72    73   656.000  1.250
   72    74   656.000  1.250
   49    52   469.000  1.400
   49    53   450.000  1.364
   52    56   469.000  1.400
   52    58   450.000  1.364
   56    57   367.000  1.080
   58    63   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   53    54   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   317.000  1.522
   44    45   656.000  1.250
   44    46   656.000  1.250
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    56    70.00000  120.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    70.00000  109.69300
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    47    63.00000  120.00000
   38    56    52    63.00000  120.00000
   38    56    57    35.00000  120.00000
   42    47    48    60.00000  122.76000
   42    47    49    63.00000  120.00000
   47    42    43    35.00000  120.00000
   47    48    50    60.00000  122.76000
   47    48    70    60.00000  122.76000
   47    49    52    63.00000  120.00000
   47    49    53    70.00000  120.00000
   48    50    51    35.00000  120.00000
   48    50    55    63.00000  120.00000
   48    70    67    63.00000  120.00000
   48    70    75    70.00000  120.00000
   50    55    59    63.00000  120.00000
   50    55    61    60.00000  120.93500
   55    50    51    35.00000  120.00000
   55    59    60    35.00000  120.00000
   55    59    67    63.00000  120.00000
   55    61    62    40.00000  117.26300
   55    61    68    60.00000  123.20500
   59    67    70    63.00000  120.00000
   59    67    71    70.00000  120.00000
   67    59    60    35.00000  120.00000
   67    70    75    70.00000  120.00000
   67    71    77    75.00000  111.00000
   70    48    50    63.00000  120.00000
   70    75    76    35.00000  113.00000
   71    67    70    70.00000  120.00000
   71    77    78    35.00000  109.50000
   71    77    79    35.00000  109.50000
   71    77    80    35.00000  109.50000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   61    55    59    60.00000  120.93500
   61    68    69    35.00000  120.00000
   61    68    72    55.00000  124.75400
   68    61    62    35.00000  120.00000
   68    72    73    85.00000  113.83300
   68    72    74    85.00000  113.83300
   72    68    69    40.00000  118.53000
   74    72    73    80.00000  126.00000
   49    47    48    60.00000  122.76000
   49    52    56    63.00000  120.00000
   49    52    58    70.00000  120.00000
   49    53    54    35.00000  113.00000
   52    56    57    35.00000  120.00000
   52    58    63    75.00000  111.00000
   56    38    42    63.00000  120.00000
   58    52    56    70.00000  120.00000
   58    63    64    35.00000  109.50000
   58    63    65    35.00000  109.50000
   58    63    66    35.00000  109.50000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   53    49    52    70.00000  120.00000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.17500
   39    44    45    70.00000  117.00000
   39    44    46    70.00000  117.00000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
   46    44    45    80.00000  126.00000
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    56  -0.16000  1.0 1.0
   29    33    38    56  -0.03200 -1.0 2.0
   29    33    38    56   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    47   3.62500 -1.0 2.0
   33    38    56    52   3.62500 -1.0 2.0
   33    38    56    57   3.62500 -1.0 2.0
   33    39    44    45   0.41150 -1.0 2.0
   33    39    44    46   0.41150 -1.0 2.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    56   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  -2.95950  1.0 1.0
   38    33    39    44   0.02300  1.0 3.0
   38    42    47    48   3.62500 -1.0 2.0
   38    42    47    49   3.62500 -1.0 2.0
   42    38    56    52   3.62500 -1.0 2.0
   42    38    56    57   3.62500 -1.0 2.0
   42    47    48    50  -0.19450  1.0 1.0
   42    47    48    50   0.63300 -1.0 2.0
   42    47    48    50   0.07450  1.0 3.0
   42    47    48    70  -0.19450  1.0 1.0
   42    47    48    70   0.63300 -1.0 2.0
   42    47    48    70   0.07450  1.0 3.0
   42    47   -49    52   3.62500 -1.0 2.0
   42    47    49    53   3.62500 -1.0 2.0
   43    42    47    48   3.62500 -1.0 2.0
   43    42    47    49   3.62500 -1.0 2.0
   47    48    50    51   3.62500 -1.0 2.0
   47    48    50    55   3.62500 -1.0 2.0
   47    48    70    67   3.62500 -1.0 2.0
   47    48    70    75   3.62500 -1.0 2.0
   47    49    52    56   3.62500 -1.0 2.0
   47    49    52    58   3.62500 -1.0 2.0
   47    49    53    54   0.84100 -1.0 2.0
   48    47    49    52   3.62500 -1.0 2.0
   48    47    49    53   3.62500 -1.0 2.0
   48    50    55    59   3.62500 -1.0 2.0
   48    50    55    61   3.62500 -1.0 2.0
   48    70    75    76   0.84100 -1.0 2.0
   50    48    70    67   3.62500 -1.0 2.0
   50    48    70    75   3.62500 -1.0 2.0
   50    55    59    60   3.62500 -1.0 2.0
   50    55   -59    67   3.62500 -1.0 2.0
   50    55    61    62   0.56550  1.0 3.0
   50    55    61    68   0.15800  1.0 1.0
   50    55    61    68   1.85350 -1.0 2.0
   50    55    61    68  -0.48700  1.0 3.0
   51    50    55    59   3.62500 -1.0 2.0
   51    50    55    61   3.62500 -1.0 2.0
   55    59    67    70   3.62500 -1.0 2.0
   55    59    67    71   3.62500 -1.0 2.0
   55    61    68    69   7.00000 -1.0 2.0
   55    61    68    72   7.00000 -1.0 2.0
   59    55    61    62   0.56550  1.0 3.0
   59    55    61    68   0.15800  1.0 1.0
   59    55    61    68   1.85350 -1.0 2.0
   59    55    61    68  -0.48700  1.0 3.0
   59    67   -70    48   3.62500 -1.0 2.0
   59    67    70    75   3.62500 -1.0 2.0
   59    67    71    77   1.63200 -1.0 2.0
   60    59    67    70   3.62500 -1.0 2.0
   60    59    67    71   3.62500 -1.0 2.0
   67    70    75    76   0.84100 -1.0 2.0
   67    71    77    78   0.08050  1.0 3.0
   67    71    77    79   0.08050  1.0 3.0
   67    71    77    80   0.08050  1.0 3.0
   70    48    50    51   3.62500 -1.0 2.0
   70    48   -50    55   3.62500 -1.0 2.0
   70    67    71    77   1.63200 -1.0 2.0
   71    67    70    48   3.62500 -1.0 2.0
   71    67    70    75   3.62500 -1.0 2.0
   61    55    59    60   3.62500 -1.0 2.0
   61    55    59    67   3.62500 -1.0 2.0
   61    68    72    73  -0.04000 -1.0 2.0
   61    68    72    73  -0.29050  1.0 3.0
   61    68    72    74  -0.04000 -1.0 2.0
   61    68    72    74  -0.29050  1.0 3.0
   62    61    68    69   7.00000 -1.0 2.0
   62    61    68    72   7.00000 -1.0 2.0
   69    68    72    73   0.00000  1.0 1.0
   69    68    72    74   0.00000  1.0 1.0
   49    47    48    50  -0.19450  1.0 1.0
   49    47    48    50   0.63300 -1.0 2.0
   49    47    48    50   0.07450  1.0 3.0
   49    47    48    70  -0.19450  1.0 1.0
   49    47    48    70   0.63300 -1.0 2.0
   49    47    48    70   0.07450  1.0 3.0
   49    52   -56    38   3.62500 -1.0 2.0
   49    52    56    57   3.62500 -1.0 2.0
   49    52    58    63   1.63200 -1.0 2.0
   52    49    53    54   0.84100 -1.0 2.0
   52    58    63    64   0.08050  1.0 3.0
   52    58    63    65   0.08050  1.0 3.0
   52    58    63    66   0.08050  1.0 3.0
   56    38    42    43   3.62500 -1.0 2.0
   56    38   -42    47   3.62500 -1.0 2.0
   56    52    58    63   1.63200 -1.0 2.0
   58    52    56    38   3.62500 -1.0 2.0
   58    52    56    57   3.62500 -1.0 2.0
   53    49    52    56   3.62500 -1.0 2.0
   53    49    52    58   3.62500 -1.0 2.0
   39    33    38    42   0.04150 -1.0 2.0
   39    33    38    56   0.04150 -1.0 2.0
   40    39    44    45   0.00000  1.0 1.0
   40    39    44    46   0.00000  1.0 1.0
   41    39    44    45   0.00000  1.0 1.0
   41    39    44    46   0.00000  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   42    56    38    33   4.00000 -1.0 2.0
   47    43    42    38   1.10000 -1.0 2.0
   48    49    47    42   4.00000 -1.0 2.0
   50    70    48    47   4.00000 -1.0 2.0
   55    51    50    48   1.10000 -1.0 2.0
   59    61    55    50   4.00000 -1.0 2.0
   67    60    59    55   1.10000 -1.0 2.0
   70    71    67    59   4.00000 -1.0 2.0
   67    75    70    48   4.00000 -1.0 2.0
   55    62    61    68  15.00000 -1.0 2.0
   72    69    68    61  15.00000 -1.0 2.0
   73    68    72    74  10.50000 -1.0 2.0
   52    53    49    47   4.00000 -1.0 2.0
   56    58    52    49   4.00000 -1.0 2.0
   52    57    56    38   1.10000 -1.0 2.0
   45    39    44    46  10.50000 -1.0 2.0
END
