* LIGAND DATABASE FILE (OPLS2005)
*
001      77    80    147    231     417
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02078    83.04832   -79.56637
    3     1 S   H    _H1_     3     1.02033    96.58366    28.49890
    4     1 S   H    _H2_     4     1.02062    34.53427   142.24892
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08519   110.61667    58.77943
   26    24 S   HC   HB22    34     1.08584   110.00631   179.17671
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C14    36     1.86791    96.80148   161.87947
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C7_    37     1.49781   108.92838   160.02560
   38    37 S   CMA  _C6_    38     1.35201   124.78150   102.37500
   39    38 S   OM   _O20    39     1.26323   129.69289   177.95972
   40    37 S   CT   _C11    51     1.51750   105.45961   -83.05228
   41    40 S   HC   _H28    52     1.09905   106.65983    78.94287
   42    38 S   CM   _C5_    40     1.50394   118.41658    -0.86818
   43    40 S   CO   _C15    53     1.54709   101.60513   -34.31096
   44    40 S   CT   _C18    69     1.52860   120.44679  -161.77631
   45    44 S   HC   _H37    70     1.08914   109.83907   160.01979
   46    44 S   HC   _H38    71     1.08908   109.85476    39.10111
   47    42 S   CM   _C4_    41     1.35771   121.52746    10.24891
   48    42 S   NE   _N18    48     1.38371   117.50861  -170.72212
   49    48 S   H    _H40    49     0.98728   117.64964  -179.08914
   50    48 S   H    _H41    50     0.98774   117.56379     0.92154
   51    43 S   C3T  _C13    54     1.49884   114.88537   -96.79758
   52    51 S   HC   _H30    55     1.07854   116.71798   -95.37166
   53    43 S   OS   _O24    64     1.42757   108.86134   142.07636
   54    44 S   OS   _O23    72     1.41522   108.47720   -80.45272
   55    33 S   CO4  _C8_    42     1.51719   103.22284   -78.51180
   56    55 S   O    _O21    43     1.23305   121.83105    73.52108
   57    47 S   CT   _C16    44     1.50755   125.79523   176.41171
   58    57 S   HC   _H31    45     1.08539   109.13633    89.92273
   59    57 S   HC   _H32    46     1.08559   109.11113   -30.21974
   60    57 S   HC   _H33    47     1.08499   109.12223  -149.81093
   61    51 S   C3T  _C12    56     1.47012   108.12472   124.97530
   62    61 S   HC   _H29    57     1.07717   121.11321   136.29204
   63    53 S   CT   _C17    65     1.41803   111.26601  -180.00000
   64    63 S   HC   _H34    66     1.09288   109.55476  -179.98022
   65    63 S   HC   _H35    67     1.09303   109.54093    59.22706
   66    63 S   HC   _H36    68     1.09249   109.00491   -60.37085
   67    54 S   CO4  _C9_    73     1.37242   116.35454   180.00000
   68    67 S   O    _O22    74     1.22644   124.65276     0.06561
   69    61 S   CT   _C10    58     1.48587   109.01628    -3.75744
   70    69 S   HC   _H26    59     1.09544   109.55606   117.46818
   71    69 S   HC   _H27    60     1.09188   108.49429  -125.52086
   72    51 S   NTH  _N16    62     1.46318   122.14681    60.28487
   73    72 S   H    _H39    63     1.01780   111.33531    -9.41273
   74    67 S   N    _N19    75     1.37300   111.00161   180.00000
   75    74 S   H    _H42    76     1.01506   119.27506  -179.95577
   76    74 S   H    _H43    77     1.01386   121.41317    -0.01978
   77    33 S   NTH0 _N17    61     1.48249   109.74544    44.40478
  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  10   5   4   3
  19   2   1   1  18  13   4  17   8  10  20   9   3   2  10   4
   1   1  11   7   8   5   7   2   3   2   1   1   7   6   4   2
   1   1   4   3   5   3   2   2   1   2   1   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    55    77    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    47    55    56    40    43    69    77  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    47    55    56    57    40    41    43    51    61    69    70    71    77    53    44  
   35    36  
   36  
    0  
   38    39    42    47    55    56    48    40    41    43    51    69    77    53    44    45    46    54  
   39    42    47    55    57    48    49    50    40    41    43    77    44  
   42    47    48    40  
   41    43    51    52    61    69    77    72    53    63    44    45    46    54    67    42    55  
   43    51    77    53    44    45    46    54  
   47    55    56    57    58    59    60    48    49    50  
   51    52    61    62    69    70    71    77    72    73    53    63    64    65    66    44    45    46    54    55  
   45    46    54    67    68    74    51    53    77  
   46    54    67  
   54    67  
   55    56    57    58    59    60    48    49    50    77  
   49    50    55    57  
   50  
    0  
   52    61    62    69    70    71    77    72    73    53    63  
   61    62    69    77    72    73    53  
   63    64    65    66    61    69    72    77  
   67    68    74    75    76  
   56    57    58    59    60    69    77  
   57    77  
   58    59    60  
   59    60  
   60  
    0  
   62    69    70    71    77    72    73  
   69    70    71    77    72    73  
   64    65    66    77  
   65    66  
   66  
    0  
   68    74    75    76  
   74    75    76  
   70    71    77    72    73  
   71    77    72  
   77    72  
   73    77  
    0  
   75    76  
   76  
    0  
    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   0.377500   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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   39   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.583200   2.0020   1.7750   0.023028004  -0.852763146
   43   3.5000   0.0660   0.322500   1.9750   1.7500   0.005000000  -0.741685710
   44   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   48   3.2500   0.1700  -0.725400   1.8650   1.6500   0.051222218  -2.220205820
   49   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   50   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   54   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   55   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0150   0.060000   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   3.7500   0.1050   0.632500   1.9250   1.7000   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.497000   1.8100   1.6000   0.001000000  -1.480495490
   69   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.3000   0.1700  -0.625000   2.1120   1.8750   0.051222218  -2.220205820
   73   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.2500   0.1700  -0.883900   1.8100   1.6000   0.054801302  -1.445846770
   75   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   76   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   77   3.3000   0.1700  -0.542500   1.9050   1.6860   0.051222218  -2.220205820
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    55   317.000  1.522
   33    77   310.000  1.447
   37    38   465.000  1.376
   37    40   317.000  1.510
   38    39   745.000  1.250
   38    42   465.000  1.376
   42    47   549.000  1.340
   42    48   425.000  1.378
   47    55   320.000  1.462
   47    57   317.000  1.510
   55    56   570.000  1.229
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   48    49   434.000  1.010
   48    50   434.000  1.010
   40    41   340.000  1.090
   40    43   250.000  1.527
   40    44   268.000  1.529
   43    51   275.000  1.510
   43    77   310.000  1.447
   43    53   320.000  1.380
   51    52   340.000  1.088
   51    61   260.000  1.509
   51    72   315.000  1.448
   61    62   340.000  1.088
   61    69   275.000  1.510
   61    72   315.000  1.448
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    77   310.000  1.447
   72    73   500.000  1.015
   53    63   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    54   320.000  1.410
   54    67   214.000  1.327
   67    68   570.000  1.229
   67    74   435.000  1.380
   74    75   434.000  1.010
   74    76   434.000  1.010
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  112.20000
   29    33    55    75.00000  110.18000
   29    33    77    85.00000  109.00000
   33    37    38    70.00000  124.00000
   33    37    40    65.00000  117.92700
   33    55    47    65.00000  118.62400
   33    55    56    80.00000  120.40000
   33    77    43    80.00000  110.40700
   33    77    69    80.00000  110.40700
   37    38    39    65.00000  137.10300
   37    38    42    70.00000  123.01800
   37    40    41    35.00000  109.50000
   37    40    43    70.00000  112.02700
   37    40    44    70.00000  112.02700
   38    42    47    70.00000  117.34000
   38    42    48    70.00000  124.03900
   42    38    39    65.00000  137.10300
   42    47    55    65.00000  118.96000
   42    47    57    70.00000  124.00000
   42    48    49    35.00000  114.50000
   42    48    50    35.00000  114.50000
   47    55    56    80.00000  123.72100
   47    57    58    35.00000  109.50000
   47    57    59    35.00000  109.50000
   47    57    60    35.00000  109.50000
   55    33    37    70.00000  109.06800
   57    47    55    65.00000  116.34900
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   48    42    47    70.00000  124.03900
   50    48    49    35.00000  109.00000
   40    37    38    70.00000  124.00000
   40    43    51    65.00000  112.71400
   40    43    77    75.00000  113.73300
   40    43    53    90.00000  108.56700
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    54    50.00000  109.50000
   43    40    41    45.00000  108.72000
   43    51    52    40.00000  115.04500
   43    51    61    60.00000  120.94000
   43    51    72    80.00000  104.84000
   43    77    69    80.00000  110.40700
   43    53    63    60.00000  109.50000
   51    61    62    37.50000  117.20000
   51    61    69    60.00000  120.94000
   51    61    72    30.00000   60.00000
   51    72    61    10.00000   60.00000
   51    72    73    50.00000  109.23200
   61    51    52    37.50000  117.20000
   61    69    70    45.00000  109.38400
   61    69    71    45.00000  109.38400
   61    69    77    75.00000  113.73300
   61    72    73    50.00000  109.23200
   69    61    62    40.00000  115.04500
   71    69    70    33.00000  107.80000
   77    33    37    75.00000  110.70900
   77    33    55    75.00000  112.82000
   77    43    51    75.00000  113.73300
   77    69    70    50.00000  110.15500
   77    69    71    50.00000  110.15500
   72    51    52    50.00000  110.59500
   72    51    61    30.00000   60.00000
   72    61    62    50.00000  110.59500
   72    61    69    80.00000  111.29100
   53    43    51    90.00000  108.56700
   53    43    77   100.00000  112.06800
   53    63    64    35.00000  109.50000
   53    63    65    35.00000  109.50000
   53    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
   44    40    41    37.50000  110.70000
   44    40    43    75.00000  109.43000
   44    54    67    83.00000  116.90000
   46    44    45    33.00000  107.80000
   54    44    45    35.00000  109.50000
   54    44    46    35.00000  109.50000
   54    67    68    83.00000  123.40000
   54    67    74   110.00000  108.75700
   67    74    75    50.00000  116.34900
   67    74    76    50.00000  116.34900
   74    67    68    85.00000  125.96000
   76    74    75    35.00000  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    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    55   0.01700  1.0 1.0
   24    29    33    55  -0.23550 -1.0 2.0
   24    29    33    55   0.21350  1.0 3.0
   24    29    33    77   0.01700  1.0 1.0
   24    29    33    77  -0.23550 -1.0 2.0
   24    29    33    77   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.42700  1.0 1.0
   29    33    37    38  -0.70350 -1.0 2.0
   29    33    37    38  -0.43150  1.0 3.0
   29    33    37    40   0.30250  1.0 1.0
   29    33    37    40  -0.14950 -1.0 2.0
   29    33    37    40   0.36900  1.0 3.0
   29    33    55    47   0.65300  1.0 1.0
   29    33    55    47  -0.03850 -1.0 2.0
   29    33    55    47   0.33900  1.0 3.0
   29    33    55    56   0.30150 -1.0 2.0
   29    33    77    43   0.23200  1.0 1.0
   29    33    77    43   0.02100 -1.0 2.0
   29    33    77    43   0.24950  1.0 3.0
   29    33    77    69   0.23200  1.0 1.0
   29    33    77    69   0.02100 -1.0 2.0
   29    33    77    69   0.24950  1.0 3.0
   33    37    38    39   7.00000 -1.0 2.0
   33    37    38    42   7.00000 -1.0 2.0
   33    37    40    41   0.34800  1.0 3.0
   33    37   -40    43   0.46850  1.0 1.0
   33    37   -40    43   0.08550 -1.0 2.0
   33    37   -40    43   0.09800  1.0 3.0
   33    37    40    44   0.46850  1.0 1.0
   33    37    40    44   0.08550 -1.0 2.0
   33    37    40    44   0.09800  1.0 3.0
   37    33    55    47   0.65300  1.0 1.0
   37    33    55    47  -0.03850 -1.0 2.0
   37    33    55    47   0.33900  1.0 3.0
   37    33    55    56   0.30150 -1.0 2.0
   37    33   -77    43  -0.60800  1.0 1.0
   37    33   -77    43   1.10050 -1.0 2.0
   37    33   -77    43   0.47000  1.0 3.0
   37    33    77    69  -0.60800  1.0 1.0
   37    33    77    69   1.10050 -1.0 2.0
   37    33    77    69   0.47000  1.0 3.0
   37    38   -42    47   7.00000 -1.0 2.0
   37    38    42    48   7.00000 -1.0 2.0
   37    40    43    51   0.34400  1.0 1.0
   37    40    43    51   0.09450 -1.0 2.0
   37    40    43    51   0.11100  1.0 3.0
   37    40   -43    77   0.59950  1.0 1.0
   37    40   -43    77  -0.21400 -1.0 2.0
   37    40   -43    77   0.56200  1.0 3.0
   37    40    43    53   0.61850  1.0 1.0
   37    40    43    53  -0.22750 -1.0 2.0
   37    40    43    53   0.15300  1.0 3.0
   37    40    44    45   0.15000  1.0 3.0
   37    40    44    46   0.15000  1.0 3.0
   37    40    44    54   0.61850  1.0 1.0
   37    40    44    54  -0.22750 -1.0 2.0
   37    40    44    54   0.15300  1.0 3.0
   38    37    40    41   0.00000  1.0 1.0
   38    37    40    43   0.09850  1.0 1.0
   38    37    40    43   0.15250 -1.0 2.0
   38    37    40    43  -0.50650  1.0 3.0
   38    37    40    44   0.09850  1.0 1.0
   38    37    40    44   0.15250 -1.0 2.0
   38    37    40    44  -0.50650  1.0 3.0
   38    42    47    55   7.00000 -1.0 2.0
   38    42    47    57   7.00000 -1.0 2.0
   38    42    48    49   1.00000 -1.0 2.0
   38    42    48    50   1.00000 -1.0 2.0
   39    38    42    47   7.00000 -1.0 2.0
   39    38    42    48   7.00000 -1.0 2.0
   42    47   -55    33  -0.33500  1.0 1.0
   42    47   -55    33   1.06600 -1.0 2.0
   42    47   -55    33  -0.14000  1.0 3.0
   42    47    55    56   1.00000 -1.0 2.0
   42    47    57    58   0.00000  1.0 1.0
   42    47    57    59   0.00000  1.0 1.0
   42    47    57    60   0.00000  1.0 1.0
   47    42    48    49   1.00000 -1.0 2.0
   47    42    48    50   1.00000 -1.0 2.0
   55    33   -37    38  -0.51250  1.0 1.0
   55    33   -37    38  -0.88800 -1.0 2.0
   55    33   -37    38   0.08850  1.0 3.0
   55    33    37    40   0.17250  1.0 1.0
   55    33    37    40  -0.04100 -1.0 2.0
   55    33    37    40  -0.33850  1.0 3.0
   55    33    77    43  -1.76800  1.0 1.0
   55    33    77    43   1.02600 -1.0 2.0
   55    33    77    43   0.19700  1.0 3.0
   55    33    77    69  -1.76800  1.0 1.0
   55    33    77    69   1.02600 -1.0 2.0
   55    33    77    69   0.19700  1.0 3.0
   55    47    57    58   0.15000  1.0 3.0
   55    47    57    59   0.15000  1.0 3.0
   55    47    57    60   0.15000  1.0 3.0
   57    47    55    33   0.25700  1.0 1.0
   57    47    55    33   0.66200 -1.0 2.0
   57    47    55    33   0.04450  1.0 3.0
   57    47    55    56  -0.64400  1.0 1.0
   57    47    55    56   0.26850 -1.0 2.0
   48    42    47    55   7.00000 -1.0 2.0
   48    42    47    57   7.00000 -1.0 2.0
   40    37    38    39   7.00000 -1.0 2.0
   40    37    38    42   7.00000 -1.0 2.0
   40    43    51    52   0.15000  1.0 3.0
   40    43    51    61   0.07850  1.0 1.0
   40    43    51    61  -0.03950 -1.0 2.0
   40    43    51    61   0.67350  1.0 3.0
   40    43    51    72   1.53400  1.0 1.0
   40    43    51    72  -0.09950 -1.0 2.0
   40    43    51    72   0.05700  1.0 3.0
   40    43   -77    33   1.99000  1.0 1.0
   40    43   -77    33   0.18800 -1.0 2.0
   40    43   -77    33   0.81350  1.0 3.0
   40    43    77    69   1.99000  1.0 1.0
   40    43    77    69   0.18800 -1.0 2.0
   40    43    77    69   0.81350  1.0 3.0
   40    43    53    63   0.06250  1.0 1.0
   40    43    53    63  -0.01100 -1.0 2.0
   40    43    53    63   0.28050  1.0 3.0
   40    44    54    67  -0.25900  1.0 1.0
   40    44    54    67  -0.47000 -1.0 2.0
   40    44    54    67   0.11750  1.0 3.0
   41    40    43    51   0.15000  1.0 3.0
   41    40    43    77   0.15000  1.0 3.0
   41    40    43    53   0.23400  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    46   0.15000  1.0 3.0
   41    40    44    54   0.23400  1.0 3.0
   43    40    44    45   0.15000  1.0 3.0
   43    40    44    46   0.15000  1.0 3.0
   43    40    44    54   0.62750  1.0 1.0
   43    40    44    54  -0.30950 -1.0 2.0
   43    40    44    54   0.27300  1.0 3.0
   43    51    61    62   0.15000  1.0 3.0
   43    51   -61    69   3.97050  1.0 1.0
   43    51   -61    72   1.53400  1.0 1.0
   43    51   -61    72  -0.09950 -1.0 2.0
   43    51   -61    72   0.05700  1.0 3.0
   43    51   -72    61  -0.35450  1.0 1.0
   43    51   -72    61   0.44050 -1.0 2.0
   43    51   -72    61   0.77100  1.0 3.0
   43    51    72    73   0.03200  1.0 1.0
   43    51    72    73   0.33800 -1.0 2.0
   43    53    63    64   0.37050  1.0 3.0
   43    53    63    65   0.37050  1.0 3.0
   43    53    63    66   0.37050  1.0 3.0
   51    43    77    33   1.99000  1.0 1.0
   51    43    77    33   0.18800 -1.0 2.0
   51    43    77    33   0.81350  1.0 3.0
   51    43   -77    69   1.99000  1.0 1.0
   51    43   -77    69   0.18800 -1.0 2.0
   51    43   -77    69   0.81350  1.0 3.0
   51    43    53    63   0.06250  1.0 1.0
   51    43    53    63  -0.01100 -1.0 2.0
   51    43    53    63   0.28050  1.0 3.0
   51    61    69    70   0.15000  1.0 3.0
   51    61    69    71   0.15000  1.0 3.0
   51    61   -69    77   1.53400  1.0 1.0
   51    61   -69    77  -0.09950 -1.0 2.0
   51    61   -69    77   0.05700  1.0 3.0
   51    61   -72    73   0.03200  1.0 1.0
   51    61   -72    73   0.33800 -1.0 2.0
   52    51    61    62   0.15000  1.0 3.0
   52    51    61    69   0.15000  1.0 3.0
   52    51   -61    72   0.15000  1.0 3.0
   52    51   -72    61   0.28000  1.0 3.0
   52    51    72    73   0.20000  1.0 3.0
   61    51   -72    73   0.03200  1.0 1.0
   61    51   -72    73   0.33800 -1.0 2.0
   61    69    77    33   1.99000  1.0 1.0
   61    69    77    33   0.18800 -1.0 2.0
   61    69    77    33   0.81350  1.0 3.0
   61    69   -77    43   1.99000  1.0 1.0
   61    69   -77    43   0.18800 -1.0 2.0
   61    69   -77    43   0.81350  1.0 3.0
   62    61    69    70   0.15000  1.0 3.0
   62    61    69    71   0.15000  1.0 3.0
   62    61    69    77   0.15000  1.0 3.0
   62    61   -72    51   0.28000  1.0 3.0
   62    61    72    73   0.20000  1.0 3.0
   69    61   -72    51  -0.35450  1.0 1.0
   69    61   -72    51   0.44050 -1.0 2.0
   69    61   -72    51   0.77100  1.0 3.0
   69    61    72    73   0.03200  1.0 1.0
   69    61    72    73   0.33800 -1.0 2.0
   70    69    77    33   0.28000  1.0 3.0
   70    69    77    43   0.10550  1.0 3.0
   71    69    77    33   0.28000  1.0 3.0
   71    69    77    43   0.10550  1.0 3.0
   77    33    37    38   0.90200  1.0 1.0
   77    33    37    38   0.57900 -1.0 2.0
   77    33    37    38  -0.62100  1.0 3.0
   77    33   -37    40   0.52100  1.0 1.0
   77    33   -37    40  -0.20350 -1.0 2.0
   77    33   -37    40   0.29750  1.0 3.0
   77    33    55    47   0.65300  1.0 1.0
   77    33    55    47  -0.03850 -1.0 2.0
   77    33    55    47   0.33900  1.0 3.0
   77    33    55    56   0.30150 -1.0 2.0
   77    43    51    52   0.15000  1.0 3.0
   77    43   -51    61   1.53400  1.0 1.0
   77    43   -51    61  -0.09950 -1.0 2.0
   77    43   -51    61   0.05700  1.0 3.0
   77    43    51    72   2.32150  1.0 1.0
   77    43    53    63  -1.02450  1.0 1.0
   77    43    53    63  -0.46500 -1.0 2.0
   77    43    53    63   0.47400  1.0 3.0
   72    51   -61    62   0.15000  1.0 3.0
   72    51   -61    69   1.53400  1.0 1.0
   72    51   -61    69  -0.09950 -1.0 2.0
   72    51   -61    69   0.05700  1.0 3.0
   72    61    69    70   0.15000  1.0 3.0
   72    61    69    71   0.15000  1.0 3.0
   72    61   -69    77   2.32150  1.0 1.0
   53    43    51    52   0.23400  1.0 3.0
   53    43    51    61  -0.26800  1.0 1.0
   53    43    51    61   0.69150 -1.0 2.0
   53    43    51    61  -0.48750  1.0 3.0
   53    43    51    72   2.01850  1.0 1.0
   53    43    51    72  -0.32950 -1.0 2.0
   53    43    51    72  -0.50350  1.0 3.0
   53    43    77    33   1.00600  1.0 1.0
   53    43    77    33  -1.41450 -1.0 2.0
   53    43    77    33   0.25150  1.0 3.0
   53    43    77    69   1.00600  1.0 1.0
   53    43    77    69  -1.41450 -1.0 2.0
   53    43    77    69   0.25150  1.0 3.0
   44    40    43    51   0.47050  1.0 1.0
   44    40    43    51   0.03900 -1.0 2.0
   44    40    43    51   0.20100  1.0 3.0
   44    40    43    77   1.53400  1.0 1.0
   44    40    43    77  -0.09950 -1.0 2.0
   44    40    43    77   0.05700  1.0 3.0
   44    40    43    53   0.62750  1.0 1.0
   44    40    43    53  -0.30950 -1.0 2.0
   44    40    43    53   0.27300  1.0 3.0
   44    54    67    68   3.00000 -1.0 2.0
   44    54    67    74  -0.80800  1.0 1.0
   44    54    67    74   2.06850 -1.0 2.0
   45    44    54    67   0.08050  1.0 3.0
   46    44    54    67   0.08050  1.0 3.0
   54    67    74    75   2.56700 -1.0 2.0
   54    67    74    76   2.56700 -1.0 2.0
   68    67    74    75   2.45000 -1.0 2.0
   68    67    74    76   2.45000 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    40    37    38   1.10000 -1.0 2.0
   42    39    38    37   1.10000 -1.0 2.0
   38    48    42    47   1.10000 -1.0 2.0
   55    57    47    42   1.10000 -1.0 2.0
   33    47    55    56  10.50000 -1.0 2.0
   50    42    48    49   1.00000 -1.0 2.0
   54    74    67    68  10.50000 -1.0 2.0
   76    67    74    75   1.00000 -1.0 2.0
END
