* LIGAND DATABASE FILE (OPLS2005)
*
001      80    81    151    222     431
    1     0 S   NP   _N1_     1    29.00375    99.37955   -23.59163
    2     1 S   H    _HN1     2     1.02797   104.52567   -84.01996
    3     1 S   H    _H1_     3     1.02946    53.70220    18.31146
    4     1 S   H    _H2_     4     1.02826    57.08661   173.84744
    5     1 S   CT   _CA1     5     1.50141   143.29612    93.17689
    6     5 S   HC   _HA1     6     1.09571   105.15892   121.67879
    7     5 S   CO3  _C1_     7     1.53770   112.40719     1.45023
    8     7 S   O2Z  _O11     8     1.26383   115.00356   -43.33343
    9     7 S   O2Z  _O12     9     1.26227   114.94623   135.59284
   10     5 S   CT   _CB1    10     1.53043   107.38871  -120.34048
   11    10 S   HC   HB11    11     1.09845   109.36288   -48.93625
   12    10 S   HC   HB12    12     1.09810   110.46843    67.65472
   13    10 S   CT   _CG1    13     1.53035   112.65361  -169.83337
   14    13 S   HC   HG11    14     1.09564   110.78212   -67.23243
   15    13 S   HC   HG12    15     1.09663   109.68284    52.04082
   16    13 S   C    _CD1    16     1.51809   111.82376   172.58447
   17    16 S   O    _OE1    17     1.22774   123.09969    14.63969
   18    16 S   N    _N2_    18     1.38601   111.95046  -165.44718
   19    18 S   H    _HN2    19     1.01597   119.12858     0.50474
   20    18 S   CT1  _CA2    20     1.46260   123.39300   177.03060
   21    20 S   HC   _HA2    21     1.09746   109.21148     9.61838
   22    20 S   C    _C2_    22     1.53726   109.19048  -106.00803
   23    22 S   O    _O2_    23     1.23107   122.15944  -150.54299
   24    20 S   CT   _CB2    32     1.53566   111.52484   131.54051
   25    24 S   HC   HB21    33     1.09311   109.11409    58.19032
   26    24 S   HC   HB22    34     1.09446   109.46334   176.92171
   27    22 S   N    _N3_    24     1.38294   114.02394    37.01961
   28    27 S   H    _HN3    25     1.01523   119.64395    -3.30168
   29    24 S   S    _SG2    35     1.82901   110.80643   -63.82749
   30    27 S   CT   _CA3    26     1.45272   123.27229   177.18381
   31    30 S   HC   HA31    27     1.09548   107.52597   -64.56467
   32    30 S   HC   HA32    28     1.09557   107.97770    51.88286
   33    29 S   CT   _C9_    36     1.90860   104.44435   172.49860
   34    30 S   CO3  _C3_    29     1.52973   114.06859   173.89966
   35    34 S   O2Z  _O31    30     1.26383   116.11540     0.35718
   36    34 S   O2Z  _O32    31     1.26431   114.40439  -179.60140
   37    33 S   CT   _C11    37     1.64204   108.68255   144.44856
   38    33 S   CT   _C10    60     1.56242   108.86449    27.54853
   39    38 S   HC   _H11    61     1.09413   113.10792   -64.75383
   40    38 S   HC   _H12    62     1.09430   112.06357    56.73662
   41    38 S   HC   _H13    63     1.09483   111.84966   176.63908
   42    33 S   CT   _C8_    64     1.61850   108.18539   -92.44821
   43    42 S   OM   _O37    65     1.33062   110.43705    58.25920
   44    42 S   HC   _H3_    66     1.09823   104.94168   -68.51130
   45    37 S   CT   _C12    38     1.57562   114.11915   -47.25876
   46    45 S   HC   _H4_    39     1.09444   110.39801   -39.29203
   47    37 S   OH   _O36    58     1.44870   106.31093  -163.10191
   48    47 S   HO   _H23    59     0.97190   108.52355    94.22102
   49    42 S   CT   _C7_    67     1.56757   113.52287   176.23412
   50    49 S   HC   _H9_    68     1.09216   110.45553    49.17596
   51    49 S   HC   _H10    69     1.09578   111.34118   -66.88832
   52    45 S   CO4  _C13    40     1.52759   113.71577    84.69347
   53    52 S   O    _O33    41     1.23262   121.07648  -139.97870
   54    45 S   OS   _O35    53     1.43876   108.61171  -158.94074
   55    49 S   CM   _C6_    70     1.51475   113.28322   166.47962
   56    55 S   HC   _H8_    71     1.08954   113.56235   -64.33703
   57    52 S   CT   _C14    42     1.51299   117.81901    45.63317
   58    57 S   HC   _H14    43     1.09579   107.57635    74.32391
   59    57 S   HC   _H15    44     1.09500   109.19170  -168.67003
   60    54 S   CT   _C18    54     1.42213   113.24328   152.84514
   61    60 S   HC   _H20    55     1.09332   108.17573  -179.95154
   62    60 S   HC   _H21    56     1.09342   111.05315    61.16261
   63    60 S   HC   _H22    57     1.09417   110.39782   -61.42905
   64    55 S   CM   _C5_    72     1.34684   128.35261   116.54496
   65    57 S   CT   _C15    45     1.52018   111.31714   -47.24909
   66    65 S   HC   _H16    46     1.09740   108.72738   172.37813
   67    65 S   HC   _H17    47     1.09252   111.11415   -72.12155
   68    64 S   CT   _C4_    73     1.50568   120.33129   179.02662
   69    68 S   HC   _H5_    74     1.09497   110.27089   119.45540
   70    68 S   HC   _H6_    75     1.09498   110.21681  -120.73295
   71    68 S   HC   _H7_    76     1.09513   112.43965    -0.66470
   72    64 S   CT   _C19    77     1.50230   125.35818    -1.53123
   73    72 S   HC   _H24    78     1.09500   110.03513   116.69412
   74    72 S   HC   _H25    79     1.09153   113.77211    -4.18451
   75    72 S   HC   _H26    80     1.09539   110.00953  -124.11075
   76    37 S   C3T  _C16    48     1.54365   116.15738    77.30672
   77    76 S   C3T  _C17    49     1.52764   119.53176   137.04396
   78    77 S   HC   _H18    50     1.08181   120.33806    -0.23407
   79    77 S   HC   _H19    51     1.08327   119.01732   148.36998
   80    76 S   O3T  _O34    52     1.43179   117.57712    70.53522
  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  13   5   4   3
  22   2   1   1  25  10   3   2   1  11   5   4  17   7   7   1
   7   4   3  10   5   6  10   3   8   5   4   3   2   1   1   8
   7   4   3   7   3   2   1   3   2   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    38    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    45    76    47    38    39    40    41    42    43    44    49  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    45    46    52    65    76    77    80    54    47    48    38    39    40    41    42    43    44    49    50    51    55  
   35    36  
   36  
    0  
   45    46    52    53    57    65    66    67    76    77    78    79    80    54    60    47    48    38    39    40    41    42    43    44    49  
   39    40    41    42    43    44    49    45    47    76  
   40    41    42  
   41    42  
   42  
   43    44    49    50    51    55    56    64    45    47    76  
   44    49    50    51    55  
   49    50    51    55  
   46    52    53    57    58    59    65    76    77    80    54    60    61    62    63    47    48  
   52    53    57    76    54    60    47  
   48    52    54    65    76    77    80  
   76  
   50    51    55    56    64    68    72  
   51    55    56    64  
   55    56    64  
   53    57    58    59    65    66    67    76    54    60  
   57    58    59    65    54  
   60    61    62    63    57    76  
   56    64    68    69    70    71    72    73    74    75  
   64    68    72  
   58    59    65    66    67    76    77    80  
   59    65    66    67    76  
   65    66    67    76  
   61    62    63  
   62    63  
   63  
    0  
   68    69    70    71    72    73    74    75  
   66    67    76    77    78    79    80  
   67    76    77    80  
   76    77    80  
   69    70    71    72    73    74    75  
   70    71    72  
   71    72  
   72  
   73    74    75  
   74    75  
   75  
    0  
   77    78    79    80  
   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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   38   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   44   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   55   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   77   3.5000   0.0660   0.056200   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    38   268.000  1.529
   33    42   268.000  1.529
   37    45   268.000  1.529
   37    76   275.000  1.510
   37    47   320.000  1.410
   45    46   340.000  1.090
   45    52   317.000  1.522
   45    54   320.000  1.410
   52    53   570.000  1.229
   52    57   317.000  1.522
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    76   275.000  1.510
   76    77   260.000  1.509
   76    80   335.000  1.432
   77    78   340.000  1.088
   77    79   340.000  1.088
   77    80   335.000  1.432
   54    60   320.000  1.410
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   47    48   553.000  0.945
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   570.000  1.307
   42    44   340.000  1.090
   42    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    55   317.000  1.510
   55    56   340.000  1.080
   55    64   549.000  1.340
   64    68   317.000  1.510
   64    72   317.000  1.510
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    38    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    37    45    58.35000  112.70000
   33    37    76    70.00000  112.37300
   33    37    47    50.00000  109.50000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    50.00000  109.50000
   33    42    44    37.50000  110.70000
   33    42    49    58.35000  112.70000
   37    45    46    37.50000  110.70000
   37    45    52    63.00000  111.10000
   37    45    54    50.00000  109.50000
   37    76    65    58.35000  112.70000
   37    76    77    60.00000  120.94000
   37    76    80    80.00000  116.47100
   37    47    48    55.00000  108.50000
   45    52    53    80.00000  120.40000
   45    52    57    70.00000  116.00000
   45    54    60    60.00000  109.50000
   52    45    46    35.00000  109.50000
   52    57    58    35.00000  109.50000
   52    57    59    35.00000  109.50000
   52    57    65    63.00000  111.10000
   57    52    53    80.00000  120.40000
   57    65    66    37.50000  110.70000
   57    65    67    37.50000  110.70000
   57    65    76    70.00000  112.37300
   59    57    58    33.00000  107.80000
   65    57    58    37.50000  110.70000
   65    57    59    37.50000  110.70000
   65    76    77    60.00000  120.94000
   65    76    80    80.00000  116.47100
   67    65    66    33.00000  107.80000
   76    37    45    70.00000  112.37300
   76    65    66    45.00000  109.38400
   76    65    67    45.00000  109.38400
   76    77    78    37.50000  117.20000
   76    77    79    37.50000  117.20000
   76    77    80    15.00000   60.43100
   76    80    77    15.00000   59.14900
   79    77    78    35.00000  114.30000
   80    76    77    15.00000   60.43100
   80    77    78    50.00000  114.27700
   80    77    79    50.00000  114.27700
   54    45    46    35.00000  109.50000
   54    45    52    90.00000  108.74100
   54    60    61    35.00000  109.50000
   54    60    62    35.00000  109.50000
   54    60    63    35.00000  109.50000
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   47    37    45    50.00000  109.50000
   47    37    76    50.00000  109.50000
   38    33    37    58.35000  112.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    37    58.35000  112.70000
   42    33    38    58.35000  112.70000
   42    49    50    37.50000  110.70000
   42    49    51    37.50000  110.70000
   42    49    55    70.00000  112.02700
   44    42    43    45.00000  125.66300
   49    42    43    50.00000  109.50000
   49    42    44    37.50000  110.70000
   49    55    56    35.00000  117.00000
   49    55    64    70.00000  124.00000
   51    49    50    33.00000  107.80000
   55    49    50    35.00000  109.50000
   55    49    51    35.00000  109.50000
   55    64    68    70.00000  124.00000
   55    64    72    70.00000  124.00000
   64    55    56    35.00000  120.00000
   64    68    69    35.00000  109.50000
   64    68    70    35.00000  109.50000
   64    68    71    35.00000  109.50000
   64    72    73    35.00000  109.50000
   64    72    74    35.00000  109.50000
   64    72    75    35.00000  109.50000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   72    64    68    65.00000  117.92700
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    45   0.44750  1.0 1.0
   29    33    37    45  -0.17800 -1.0 2.0
   29    33    37    45   0.20200  1.0 3.0
   29    33    37    76   0.44750  1.0 1.0
   29    33    37    76  -0.17800 -1.0 2.0
   29    33    37    76   0.20200  1.0 3.0
   29    33    37    47   0.56750  1.0 1.0
   29    33    37    47  -0.07550 -1.0 2.0
   29    33    37    47   0.20000  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   29    33    42    43   0.56750  1.0 1.0
   29    33    42    43  -0.07550 -1.0 2.0
   29    33    42    43   0.20000  1.0 3.0
   29    33    42    44   0.15000  1.0 3.0
   29    33    42    49   0.44750  1.0 1.0
   29    33    42    49  -0.17800 -1.0 2.0
   29    33    42    49   0.20200  1.0 3.0
   33    37    45    46   0.15000  1.0 3.0
   33    37    45    52  -0.95700  1.0 1.0
   33    37    45    52  -0.18200 -1.0 2.0
   33    37    45    52   0.29450  1.0 3.0
   33    37    45    54   0.62750  1.0 1.0
   33    37    45    54  -0.30950 -1.0 2.0
   33    37    45    54   0.27300  1.0 3.0
   33    37    76    65   0.56750  1.0 1.0
   33    37    76    65  -0.07550 -1.0 2.0
   33    37    76    65   0.20000  1.0 3.0
   33    37    76    77   0.07850  1.0 1.0
   33    37    76    77  -0.03950 -1.0 2.0
   33    37    76    77   0.67350  1.0 3.0
   33    37    76    80   0.02550  1.0 1.0
   33    37    76    80  -0.02600 -1.0 2.0
   33    37    76    80   1.20400  1.0 3.0
   33    37    47    48  -0.11600  1.0 1.0
   33    37    47    48  -0.09450 -1.0 2.0
   33    37    47    48   0.21250  1.0 3.0
   33    42    49    50   0.15000  1.0 3.0
   33    42    49    51   0.15000  1.0 3.0
   33    42    49    55   0.34400  1.0 1.0
   33    42    49    55   0.09450 -1.0 2.0
   33    42    49    55   0.11100  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    41   0.15000  1.0 3.0
   37    33    42    43   0.62750  1.0 1.0
   37    33    42    43  -0.30950 -1.0 2.0
   37    33    42    43   0.27300  1.0 3.0
   37    33    42    44   0.15000  1.0 3.0
   37    33    42    49   0.56750  1.0 1.0
   37    33    42    49  -0.07550 -1.0 2.0
   37    33    42    49   0.20000  1.0 3.0
   37    45    52    53   0.30150 -1.0 2.0
   37    45    52    57   0.60050  1.0 1.0
   37    45    52    57   0.05600 -1.0 2.0
   37    45    52    57   0.26150  1.0 3.0
   37    45    54    60   0.06250  1.0 1.0
   37    45    54    60  -0.01100 -1.0 2.0
   37    45    54    60   0.28050  1.0 3.0
   37    76    77    78   0.15000  1.0 3.0
   37    76    77    79   0.15000  1.0 3.0
   37    76   -77    80   0.02550  1.0 1.0
   37    76   -77    80  -0.02600 -1.0 2.0
   37    76   -77    80   1.20400  1.0 3.0
   37    76   -80    77   0.06250  1.0 1.0
   37    76   -80    77  -0.01100 -1.0 2.0
   37    76   -80    77   0.28050  1.0 3.0
   45    37    76    65   0.56750  1.0 1.0
   45    37    76    65  -0.07550 -1.0 2.0
   45    37    76    65   0.20000  1.0 3.0
   45    37    76    77   0.07850  1.0 1.0
   45    37    76    77  -0.03950 -1.0 2.0
   45    37    76    77   0.67350  1.0 3.0
   45    37    76    80   0.02550  1.0 1.0
   45    37    76    80  -0.02600 -1.0 2.0
   45    37    76    80   1.20400  1.0 3.0
   45    37    47    48  -0.11600  1.0 1.0
   45    37    47    48  -0.09450 -1.0 2.0
   45    37    47    48   0.21250  1.0 3.0
   45    52    57    58   0.00000  1.0 1.0
   45    52    57    59   0.00000  1.0 1.0
   45    52   -57    65   0.60050  1.0 1.0
   45    52   -57    65   0.05600 -1.0 2.0
   45    52   -57    65   0.26150  1.0 3.0
   45    54    60    61   0.37050  1.0 3.0
   45    54    60    62   0.37050  1.0 3.0
   45    54    60    63   0.37050  1.0 3.0
   46    45    52    53   0.00000  1.0 1.0
   46    45    52    57   0.00000  1.0 1.0
   46    45    54    60   0.37050  1.0 3.0
   52    45    54    60  -1.11000  1.0 1.0
   52    45    54    60   0.50250 -1.0 2.0
   52    45    54    60   0.47450  1.0 3.0
   52    57    65    66  -0.11250  1.0 3.0
   52    57    65    67  -0.11250  1.0 3.0
   52    57    65    76  -0.95700  1.0 1.0
   52    57    65    76  -0.18200 -1.0 2.0
   52    57    65    76   0.29450  1.0 3.0
   53    52    57    58   0.00000  1.0 1.0
   53    52    57    59   0.00000  1.0 1.0
   53    52    57    65   0.30150 -1.0 2.0
   57    65   -76    37   0.56750  1.0 1.0
   57    65   -76    37  -0.07550 -1.0 2.0
   57    65   -76    37   0.20000  1.0 3.0
   57    65    76    77   0.07850  1.0 1.0
   57    65    76    77  -0.03950 -1.0 2.0
   57    65    76    77   0.67350  1.0 3.0
   57    65    76    80   0.02550  1.0 1.0
   57    65    76    80  -0.02600 -1.0 2.0
   57    65    76    80   1.20400  1.0 3.0
   58    57    65    66   0.15000  1.0 3.0
   58    57    65    67   0.15000  1.0 3.0
   58    57    65    76   0.15000  1.0 3.0
   59    57    65    66   0.15000  1.0 3.0
   59    57    65    67   0.15000  1.0 3.0
   59    57    65    76   0.15000  1.0 3.0
   65    76    77    78   0.15000  1.0 3.0
   65    76    77    79   0.15000  1.0 3.0
   65    76   -77    80   0.02550  1.0 1.0
   65    76   -77    80  -0.02600 -1.0 2.0
   65    76   -77    80   1.20400  1.0 3.0
   65    76   -80    77   0.06250  1.0 1.0
   65    76   -80    77  -0.01100 -1.0 2.0
   65    76   -80    77   0.28050  1.0 3.0
   66    65    76    37   0.15000  1.0 3.0
   66    65    76    77   0.15000  1.0 3.0
   66    65    76    80   0.23400  1.0 3.0
   67    65    76    37   0.15000  1.0 3.0
   67    65    76    77   0.15000  1.0 3.0
   67    65    76    80   0.23400  1.0 3.0
   76    37    45    46   0.15000  1.0 3.0
   76    37   -45    52  -0.95700  1.0 1.0
   76    37   -45    52  -0.18200 -1.0 2.0
   76    37   -45    52   0.29450  1.0 3.0
   76    37    45    54  -0.26800  1.0 1.0
   76    37    45    54   0.69150 -1.0 2.0
   76    37    45    54  -0.48750  1.0 3.0
   76    37    47    48  -0.11600  1.0 1.0
   76    37    47    48  -0.09450 -1.0 2.0
   76    37    47    48   0.21250  1.0 3.0
   78    77   -80    76   0.36800  1.0 3.0
   79    77   -80    76   0.36800  1.0 3.0
   80    76   -77    78   0.23400  1.0 3.0
   80    76   -77    79   0.23400  1.0 3.0
   54    45    52    53   0.30150 -1.0 2.0
   54    45    52    57   0.55300  1.0 1.0
   54    45    52    57   1.25850 -1.0 2.0
   54    45    52    57  -0.23600  1.0 3.0
   47    37    45    46   0.23400  1.0 3.0
   47    37    45    52  -0.09450  1.0 1.0
   47    37    45    52  -1.12950 -1.0 2.0
   47    37    45    52   0.54000  1.0 3.0
   47    37    45    54   3.69350  1.0 1.0
   47    37    45    54  -1.82950 -1.0 2.0
   47    37    76    65   0.86500  1.0 1.0
   47    37    76    65  -0.17500 -1.0 2.0
   47    37    76    65   0.20800  1.0 3.0
   47    37    76    77   0.86500  1.0 1.0
   47    37    76    77  -0.17500 -1.0 2.0
   47    37    76    77   0.20800  1.0 3.0
   47    37    76    80   3.69350  1.0 1.0
   47    37    76    80  -1.82950 -1.0 2.0
   38    33    37    45   0.56750  1.0 1.0
   38    33    37    45  -0.07550 -1.0 2.0
   38    33    37    45   0.20000  1.0 3.0
   38    33    37    76   0.47050  1.0 1.0
   38    33    37    76   0.03900 -1.0 2.0
   38    33    37    76   0.20100  1.0 3.0
   38    33    37    47   0.86500  1.0 1.0
   38    33    37    47  -0.17500 -1.0 2.0
   38    33    37    47   0.20800  1.0 3.0
   38    33    42    43   0.62750  1.0 1.0
   38    33    42    43  -0.30950 -1.0 2.0
   38    33    42    43   0.27300  1.0 3.0
   38    33    42    44   0.15000  1.0 3.0
   38    33    42    49   0.56750  1.0 1.0
   38    33    42    49  -0.07550 -1.0 2.0
   38    33    42    49   0.20000  1.0 3.0
   42    33    37    45   0.56750  1.0 1.0
   42    33    37    45  -0.07550 -1.0 2.0
   42    33    37    45   0.20000  1.0 3.0
   42    33    37    76   0.47050  1.0 1.0
   42    33    37    76   0.03900 -1.0 2.0
   42    33    37    76   0.20100  1.0 3.0
   42    33    37    47   0.86500  1.0 1.0
   42    33    37    47  -0.17500 -1.0 2.0
   42    33    37    47   0.20800  1.0 3.0
   42    33    38    39   0.15000  1.0 3.0
   42    33    38    40   0.15000  1.0 3.0
   42    33    38    41   0.15000  1.0 3.0
   42    49    55    56   0.00000  1.0 1.0
   42    49    55    64   0.09850  1.0 1.0
   42    49    55    64   0.15250 -1.0 2.0
   42    49    55    64  -0.50650  1.0 3.0
   43    42    49    50   0.23400  1.0 3.0
   43    42    49    51   0.23400  1.0 3.0
   43    42    49    55   0.61850  1.0 1.0
   43    42    49    55  -0.22750 -1.0 2.0
   43    42    49    55   0.15300  1.0 3.0
   44    42    49    50   0.15000  1.0 3.0
   44    42    49    51   0.15000  1.0 3.0
   44    42    49    55   0.15000  1.0 3.0
   49    55    64    68   7.00000 -1.0 2.0
   49    55    64    72   7.00000 -1.0 2.0
   50    49    55    56   0.33100  1.0 3.0
   50    49    55    64   0.00000  1.0 1.0
   51    49    55    56   0.33100  1.0 3.0
   51    49    55    64   0.00000  1.0 1.0
   55    64    68    69   0.00000  1.0 1.0
   55    64    68    70   0.00000  1.0 1.0
   55    64    68    71   0.00000  1.0 1.0
   55    64    72    73   0.00000  1.0 1.0
   55    64    72    74   0.00000  1.0 1.0
   55    64    72    75   0.00000  1.0 1.0
   56    55    64    68   7.00000 -1.0 2.0
   56    55    64    72   7.00000 -1.0 2.0
   68    64    72    73   0.34800  1.0 3.0
   68    64    72    74   0.34800  1.0 3.0
   68    64    72    75   0.34800  1.0 3.0
   72    64    68    69   0.34800  1.0 3.0
   72    64    68    70   0.34800  1.0 3.0
   72    64    68    71   0.34800  1.0 3.0
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
   35    30    34    36  10.50000 -1.0 2.0
   45    57    52    53  10.50000 -1.0 2.0
   49    56    55    64  15.00000 -1.0 2.0
   68    72    64    55  15.00000 -1.0 2.0
END
