* LIGAND DATABASE FILE (OPLS2005)
*
001      72    75    144    239     420
    1     0 S   NP   _N1_     1    28.76419    94.57227   -22.43754
    2     1 S   H    _HN1     2     1.02778    96.79361   -83.96893
    3     1 S   H    _H1_     3     1.02955    85.73217    24.04286
    4     1 S   H    _H2_     4     1.02829    29.32523   161.20581
    5     1 S   CT   _CA1     5     1.50122   138.77174   140.45973
    6     5 S   HC   _HA1     6     1.09566   105.23788    69.89068
    7     5 S   CO3  _C1_     7     1.53832   112.38775   -50.42663
    8     7 S   O2Z  _O11     8     1.26375   114.99225   -42.12711
    9     7 S   O2Z  _O12     9     1.26235   114.96842   137.00902
   10     5 S   CT   _CB1    10     1.53081   107.42544  -172.02871
   11    10 S   HC   HB11    11     1.09824   109.52983   -48.76919
   12    10 S   HC   HB12    12     1.09827   110.34390    67.87145
   13    10 S   CT   _CG1    13     1.52987   112.60824  -169.77115
   14    13 S   HC   HG11    14     1.09599   110.45225   -62.00104
   15    13 S   HC   HG12    15     1.09644   110.01960    57.28257
   16    13 S   C    _CD1    16     1.51780   112.25467   177.79336
   17    16 S   O    _OE1    17     1.22733   123.27153    -1.31879
   18    16 S   N    _N2_    18     1.38624   111.59991   178.33117
   19    18 S   H    _HN2    19     1.01588   119.07492     2.55673
   20    18 S   CT1  _CA2    20     1.46320   123.38850  -177.16117
   21    20 S   HC   _HA2    21     1.09738   109.27371    -8.46269
   22    20 S   C    _C2_    22     1.53345   108.84438  -124.15339
   23    22 S   O    _O2_    23     1.23025   122.36393  -150.38690
   24    20 S   CT   _CB2    32     1.53462   111.12950   113.23139
   25    24 S   HC   HB21    33     1.09560   109.52295    57.28013
   26    24 S   HC   HB22    34     1.09463   110.62689   176.48877
   27    22 S   N    _N3_    24     1.38370   113.53897    37.28219
   28    27 S   H    _HN3    25     1.01636   119.45638    -3.77730
   29    24 S   S    _SG2    35     1.82722   110.86385   -63.56036
   30    27 S   CT   _CA3    26     1.45277   123.10449   176.88184
   31    30 S   HC   HA31    27     1.09553   107.53690   -63.59369
   32    30 S   HC   HA32    28     1.09560   107.93281    52.80401
   33    29 S   CT   _C10    36     1.84436   100.11032   161.55663
   34    33 S   HC   _H3_    37     1.09609   106.47550   -37.54358
   35    30 S   CO3  _C3_    29     1.52923   114.15863   174.79034
   36    35 S   O2Z  _O31    30     1.26364   116.06959    -0.49653
   37    35 S   O2Z  _O32    31     1.26432   114.40830   179.55809
   38    33 S   CM   _C4_    38     1.52176   108.98242    82.67817
   39    33 S   CT   _C11    60     1.55243   114.54486  -154.37444
   40    39 S   HC   _H29    61     1.10056   106.07040   172.65335
   41    38 S   C3T  _C14    39     1.48357   115.03462    74.07033
   42    38 S   CMA  _C6_    70     1.35579   122.40962  -108.63431
   43    42 S   OM   _O16    71     1.25944   133.23834     1.35407
   44    42 S   HC   _H21    72     1.09280   111.91227  -178.50459
   45    41 S   C3T  _C9_    40     1.51293   117.20575    95.56720
   46    45 S   HC   _H26    41     1.08483   118.75180    -2.46553
   47    45 S   HC   _H27    42     1.08469   118.53740   141.03568
   48    41 S   C3T  _C15    43     1.50577   119.95680    25.90411
   49    48 S   CO4  _C5_    44     1.48950   105.61591  -142.56041
   50    49 S   O    _O17    45     1.22078   124.43481  -173.78789
   51    48 S   CT   _C12    51     1.51539   120.76942     1.09056
   52    51 S   HC   _H30    52     1.09928   106.60938   120.13411
   53    49 S   OS   _O18    46     1.36779   110.07048     4.55492
   54    51 S   CT   _C8_    53     1.52948   115.89139  -120.79537
   55    54 S   HC   _H24    54     1.09596   111.52354   -74.09063
   56    54 S   HC   _H25    55     1.09509   111.24255    44.70514
   57    41 S   CO   _C13    47     1.50419   119.08204  -106.97054
   58    57 S   HC   _H31    48     1.09554   112.06631    23.23446
   59    54 S   CT   _C16    56     1.53883   104.56994   164.99264
   60    57 S   OH   _O19    49     1.42150   109.82058   -98.05869
   61    60 S   HO   _H38    50     0.97171   106.82033   154.05580
   62    59 S   CT   _C7_    57     1.54394   104.61800   -32.82465
   63    62 S   HC   _H22    58     1.09536   111.99992  -108.03794
   64    62 S   HC   _H23    59     1.09738   110.89727   134.53437
   65    59 S   CT   _C17    62     1.53915   110.71014    85.94138
   66    65 S   HC   _H32    63     1.09578   111.03268    60.97835
   67    65 S   HC   _H33    64     1.09498   111.92831   -59.38665
   68    65 S   HC   _H34    65     1.09601   110.94412  -179.35959
   69    59 S   CT   _C18    66     1.53276   111.08198  -153.19299
   70    69 S   HC   _H35    67     1.09559   111.07445   -61.84355
   71    69 S   HC   _H36    68     1.09559   111.00646   178.01357
   72    69 S   HC   _H37    69     1.09546   111.51391    58.14796
  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
  18   7   2   1   1  17  17   8  17   5   1   1  12   5   4  13
   8   3  12   5   4  14   5   4   3   2  11   1   1  10   3   2
   7   3   2   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    41    51    62    39    40    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    45    48    57    51    52    54    59    62    63    64    39    40    42    43    44  
   38    41    51    62    39    40    42  
   36    37  
   37  
    0  
   41    45    46    47    48    49    53    57    58    60    51    62    39    40    42    43    44  
   40    65    69    42    41    45    48    49    51    52    54    55    56    59    62    63    64  
   48    51    52    54    59    62    63    64  
   45    46    47    48    49    50    53    57    58    60    61    51    52    54    42    43    44  
   43    44    45    48    57  
   44  
    0  
   46    47    48    49    50    53    57    58    60    51    52    54  
   47    48    49    57    51  
   48    49    57    51  
   49    50    53    57    58    60    51    52    54    55    56    59    62  
   50    53    57    58    60    51    52    54  
   53    57    51  
   52    54    55    56    59    62    63    64    65    69    53    57  
   54    55    56    59    62  
   57    58    60    61  
   55    56    59    62    63    64    65    66    67    68    69    70    71    72  
   56    59    62    65    69  
   59    62    65    69  
   58    60    61  
   60    61  
   62    63    64    65    66    67    68    69    70    71    72  
   61  
    0  
   63    64    65    66    67    68    69    70    71    72  
   64    65    69  
   65    69  
   66    67    68    69    70    71    72  
   67    68    69  
   68    69  
   69  
   70    71    72  
   71    72  
   72  
    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   0.107500   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   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5500   0.0760   0.437200   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   2.5000   0.0500  -0.062100   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.0000   0.1700  -0.251400   1.7660   1.5600   0.020110767  -0.896042159
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.236100   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.100000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   60   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   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    41   305.000  1.480
   38    42   465.000  1.376
   41    45   260.000  1.509
   41    48   260.000  1.509
   41    57   275.000  1.510
   45    46   340.000  1.088
   45    47   340.000  1.088
   45    48   260.000  1.509
   48    49   290.000  1.496
   48    51   275.000  1.510
   49    50   570.000  1.229
   49    53   214.000  1.327
   53    57   320.000  1.380
   57    58   340.000  1.090
   57    60   380.000  1.407
   60    61   553.000  0.945
   51    52   340.000  1.090
   51    54   268.000  1.529
   51    39   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    59   268.000  1.529
   59    62   268.000  1.529
   59    65   268.000  1.529
   59    69   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    39   268.000  1.529
   39    40   340.000  1.090
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   42    43   745.000  1.250
   42    44   335.000  1.111
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    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    41    65.00000  117.92700
   33    38    42    70.00000  124.00000
   33    39    51    58.35000  112.70000
   33    39    62    58.35000  112.70000
   33    39    40    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    41    45    60.00000  120.58800
   38    41    48    60.00000  120.58800
   38    41    57    65.00000  117.55000
   38    42    43    65.00000  137.10300
   38    42    44    45.00000  105.30000
   41    45    46    37.50000  117.20000
   41    45    47    37.50000  117.20000
   41    45    48    10.00000   60.00500
   41    48    45    10.00000   60.00500
   41    48    49    65.00000  117.18000
   41    48    51    60.00000  120.94000
   41    57    53    90.00000  108.56700
   41    57    58    45.00000  112.01100
   41    57    60    90.00000  110.19100
   45    48    49    65.00000  117.18000
   45    48    51    60.00000  120.94000
   47    45    46    35.00000  114.30000
   48    41    45    10.00000   60.00500
   48    45    46    37.50000  117.20000
   48    45    47    37.50000  117.20000
   48    49    50    75.00000  121.36600
   48    49    53    81.00000  111.40000
   48    51    52    45.00000  109.38400
   48    51    54    70.00000  112.37300
   48    51    39    70.00000  112.37300
   49    53    57    95.00000  111.08000
   53    49    50    83.00000  123.40000
   53    57    58    35.00000  109.50000
   53    57    60   110.00000  112.08000
   57    41    45    60.00000  120.94000
   57    41    48    60.00000  120.94000
   57    60    61    70.00000  107.92000
   60    57    58    60.00000  108.02500
   51    48    49    63.00000  111.10000
   51    54    55    37.50000  110.70000
   51    54    56    37.50000  110.70000
   51    54    59    58.35000  112.70000
   51    39    62    58.35000  112.70000
   51    39    40    37.50000  110.70000
   54    51    52    37.50000  110.70000
   54    59    62    58.35000  112.70000
   54    59    65    58.35000  112.70000
   54    59    69    58.35000  112.70000
   56    54    55    33.00000  107.80000
   59    54    55    37.50000  110.70000
   59    54    56    37.50000  110.70000
   59    62    63    37.50000  110.70000
   59    62    64    37.50000  110.70000
   59    62    39    58.35000  112.70000
   59    65    66    37.50000  110.70000
   59    65    67    37.50000  110.70000
   59    65    68    37.50000  110.70000
   59    69    70    37.50000  110.70000
   59    69    71    37.50000  110.70000
   59    69    72    37.50000  110.70000
   62    39    40    37.50000  110.70000
   64    62    63    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   39    51    52    37.50000  110.70000
   39    51    54    58.35000  112.70000
   39    62    63    37.50000  110.70000
   39    62    64    37.50000  110.70000
   65    59    62    58.35000  112.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   69    59    62    58.35000  112.70000
   69    59    65    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   42    38    41    55.00000  125.06700
   44    42    43    50.00000  124.16400
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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  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    41   0.30250  1.0 1.0
   29    33    38    41  -0.14950 -1.0 2.0
   29    33    38    41   0.36900  1.0 3.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    39    51   0.44750  1.0 1.0
   29    33    39    51  -0.17800 -1.0 2.0
   29    33    39    51   0.20200  1.0 3.0
   29    33    39    62   0.44750  1.0 1.0
   29    33    39    62  -0.17800 -1.0 2.0
   29    33    39    62   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   33    38    41    45   0.46850  1.0 1.0
   33    38    41    45   0.08550 -1.0 2.0
   33    38    41    45   0.09800  1.0 3.0
   33    38    41    48   0.46850  1.0 1.0
   33    38    41    48   0.08550 -1.0 2.0
   33    38    41    48   0.09800  1.0 3.0
   33    38    41    57   0.46850  1.0 1.0
   33    38    41    57   0.08550 -1.0 2.0
   33    38    41    57   0.09800  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    44   7.00000 -1.0 2.0
   34    33    38    41   0.34800  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    39    51   0.15000  1.0 3.0
   34    33    39    62   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   38    33    39    51   0.34400  1.0 1.0
   38    33    39    51   0.09450 -1.0 2.0
   38    33    39    51   0.11100  1.0 3.0
   38    33    39    62   0.34400  1.0 1.0
   38    33    39    62   0.09450 -1.0 2.0
   38    33    39    62   0.11100  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    41    45    46   0.15000  1.0 3.0
   38    41    45    47   0.15000  1.0 3.0
   38    41   -45    48   0.34400  1.0 1.0
   38    41   -45    48   0.09450 -1.0 2.0
   38    41   -45    48   0.11100  1.0 3.0
   38    41   -48    45   0.34400  1.0 1.0
   38    41   -48    45   0.09450 -1.0 2.0
   38    41   -48    45   0.11100  1.0 3.0
   38    41    48    49  -0.98800  1.0 1.0
   38    41    48    49   0.48800 -1.0 2.0
   38    41    48    49   0.76800  1.0 3.0
   38    41   -48    51   0.34400  1.0 1.0
   38    41   -48    51   0.09450 -1.0 2.0
   38    41   -48    51   0.11100  1.0 3.0
   38    41    57    53   0.61850  1.0 1.0
   38    41    57    53  -0.22750 -1.0 2.0
   38    41    57    53   0.15300  1.0 3.0
   38    41    57    58   0.15000  1.0 3.0
   38    41    57    60   1.05650  1.0 1.0
   38    41    57    60   0.15600 -1.0 2.0
   38    41    57    60   0.53150  1.0 3.0
   41    38    42    43   7.00000 -1.0 2.0
   41    38    42    44   7.00000 -1.0 2.0
   41    45   -48    49  -0.95700  1.0 1.0
   41    45   -48    49  -0.18200 -1.0 2.0
   41    45   -48    49   0.29450  1.0 3.0
   41    45   -48    51   0.07850  1.0 1.0
   41    45   -48    51  -0.03950 -1.0 2.0
   41    45   -48    51   0.67350  1.0 3.0
   41    48    49    50   0.30150 -1.0 2.0
   41    48   -49    53   0.36750  1.0 3.0
   41    48    51    52   0.15000  1.0 3.0
   41    48    51    54   0.07850  1.0 1.0
   41    48    51    54  -0.03950 -1.0 2.0
   41    48    51    54   0.67350  1.0 3.0
   41    48    51    39   0.07850  1.0 1.0
   41    48    51    39  -0.03950 -1.0 2.0
   41    48    51    39   0.67350  1.0 3.0
   41    57    60    61  -0.11600  1.0 1.0
   41    57    60    61  -0.09450 -1.0 2.0
   41    57    60    61   0.21250  1.0 3.0
   45    41   -48    49  -0.95700  1.0 1.0
   45    41   -48    49  -0.18200 -1.0 2.0
   45    41   -48    49   0.29450  1.0 3.0
   45    41   -48    51   0.07850  1.0 1.0
   45    41   -48    51  -0.03950 -1.0 2.0
   45    41   -48    51   0.67350  1.0 3.0
   45    41    57    53  -0.26800  1.0 1.0
   45    41    57    53   0.69150 -1.0 2.0
   45    41    57    53  -0.48750  1.0 3.0
   45    41    57    58   0.15000  1.0 3.0
   45    41    57    60   0.86500  1.0 1.0
   45    41    57    60  -0.17500 -1.0 2.0
   45    41    57    60   0.20800  1.0 3.0
   45    48    49    50   0.30150 -1.0 2.0
   45    48   -49    53   0.36750  1.0 3.0
   45    48    51    52   0.15000  1.0 3.0
   45    48    51    54   0.07850  1.0 1.0
   45    48    51    54  -0.03950 -1.0 2.0
   45    48    51    54   0.67350  1.0 3.0
   45    48    51    39   0.07850  1.0 1.0
   45    48    51    39  -0.03950 -1.0 2.0
   45    48    51    39   0.67350  1.0 3.0
   46    45   -48    41   0.15000  1.0 3.0
   46    45    48    49   0.15000  1.0 3.0
   46    45    48    51   0.15000  1.0 3.0
   47    45   -48    41   0.15000  1.0 3.0
   47    45    48    49   0.15000  1.0 3.0
   47    45    48    51   0.15000  1.0 3.0
   48    41   -45    46   0.15000  1.0 3.0
   48    41   -45    47   0.15000  1.0 3.0
   48    41   -57    53  -0.26800  1.0 1.0
   48    41   -57    53   0.69150 -1.0 2.0
   48    41   -57    53  -0.48750  1.0 3.0
   48    41    57    58   0.15000  1.0 3.0
   48    41    57    60   0.86500  1.0 1.0
   48    41    57    60  -0.17500 -1.0 2.0
   48    41    57    60   0.20800  1.0 3.0
   48    49   -53    57   1.63150  1.0 1.0
   48    49   -53    57   2.92000 -1.0 2.0
   48    51    54    55   0.15000  1.0 3.0
   48    51    54    56   0.15000  1.0 3.0
   48    51    54    59   0.47050  1.0 1.0
   48    51    54    59   0.03900 -1.0 2.0
   48    51    54    59   0.20100  1.0 3.0
   48    51   -39    33   0.47050  1.0 1.0
   48    51   -39    33   0.03900 -1.0 2.0
   48    51   -39    33   0.20100  1.0 3.0
   48    51    39    62   0.47050  1.0 1.0
   48    51    39    62   0.03900 -1.0 2.0
   48    51    39    62   0.20100  1.0 3.0
   48    51    39    40   0.15000  1.0 3.0
   49    48    51    52  -0.11250  1.0 3.0
   49    48    51    54  -0.95700  1.0 1.0
   49    48    51    54  -0.18200 -1.0 2.0
   49    48    51    54   0.29450  1.0 3.0
   49    48    51    39  -0.95700  1.0 1.0
   49    48    51    39  -0.18200 -1.0 2.0
   49    48    51    39   0.29450  1.0 3.0
   49    53   -57    41  -2.60950  1.0 1.0
   49    53   -57    41   1.40200 -1.0 2.0
   49    53   -57    41   0.21950  1.0 3.0
   49    53    57    58   0.08050  1.0 3.0
   49    53    57    60  -3.31650  1.0 1.0
   49    53    57    60   0.10350 -1.0 2.0
   49    53    57    60  -0.05050  1.0 3.0
   50    49    53    57   3.00000 -1.0 2.0
   53    57    60    61  -0.50000  1.0 1.0
   53    57    60    61  -0.73950 -1.0 2.0
   53    57    60    61   0.17150  1.0 3.0
   57    41    45    46   0.15000  1.0 3.0
   57    41    45    47   0.15000  1.0 3.0
   57    41   -45    48   0.07850  1.0 1.0
   57    41   -45    48  -0.03950 -1.0 2.0
   57    41   -45    48   0.67350  1.0 3.0
   57    41   -48    45   0.07850  1.0 1.0
   57    41   -48    45  -0.03950 -1.0 2.0
   57    41   -48    45   0.67350  1.0 3.0
   57    41   -48    49  -0.95700  1.0 1.0
   57    41   -48    49  -0.18200 -1.0 2.0
   57    41   -48    49   0.29450  1.0 3.0
   57    41    48    51   3.97050  1.0 1.0
   58    57    60    61   0.19450  1.0 3.0
   51    48    49    50   0.30150 -1.0 2.0
   51    48    49    53   0.36750  1.0 3.0
   51    54   -59    62   0.56750  1.0 1.0
   51    54   -59    62  -0.07550 -1.0 2.0
   51    54   -59    62   0.20000  1.0 3.0
   51    54    59    65   0.56750  1.0 1.0
   51    54    59    65  -0.07550 -1.0 2.0
   51    54    59    65   0.20000  1.0 3.0
   51    54    59    69   0.56750  1.0 1.0
   51    54    59    69  -0.07550 -1.0 2.0
   51    54    59    69   0.20000  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    56   0.15000  1.0 3.0
   52    51    54    59   0.15000  1.0 3.0
   52    51    39    33   0.15000  1.0 3.0
   52    51    39    62   0.15000  1.0 3.0
   52    51    39    40   0.15000  1.0 3.0
   54    51    39    33   0.56750  1.0 1.0
   54    51    39    33  -0.07550 -1.0 2.0
   54    51    39    33   0.20000  1.0 3.0
   54    51   -39    62   0.56750  1.0 1.0
   54    51   -39    62  -0.07550 -1.0 2.0
   54    51   -39    62   0.20000  1.0 3.0
   54    51    39    40   0.15000  1.0 3.0
   54    59    62    63   0.15000  1.0 3.0
   54    59    62    64   0.15000  1.0 3.0
   54    59   -62    39   0.56750  1.0 1.0
   54    59   -62    39  -0.07550 -1.0 2.0
   54    59   -62    39   0.20000  1.0 3.0
   54    59    65    66   0.15000  1.0 3.0
   54    59    65    67   0.15000  1.0 3.0
   54    59    65    68   0.15000  1.0 3.0
   54    59    69    70   0.15000  1.0 3.0
   54    59    69    71   0.15000  1.0 3.0
   54    59    69    72   0.15000  1.0 3.0
   55    54    59    62   0.15000  1.0 3.0
   55    54    59    65   0.15000  1.0 3.0
   55    54    59    69   0.15000  1.0 3.0
   56    54    59    62   0.15000  1.0 3.0
   56    54    59    65   0.15000  1.0 3.0
   56    54    59    69   0.15000  1.0 3.0
   59    62    39    33   0.56750  1.0 1.0
   59    62    39    33  -0.07550 -1.0 2.0
   59    62    39    33   0.20000  1.0 3.0
   59    62   -39    51   0.56750  1.0 1.0
   59    62   -39    51  -0.07550 -1.0 2.0
   59    62   -39    51   0.20000  1.0 3.0
   59    62    39    40   0.15000  1.0 3.0
   62    59    65    66   0.15000  1.0 3.0
   62    59    65    67   0.15000  1.0 3.0
   62    59    65    68   0.15000  1.0 3.0
   62    59    69    70   0.15000  1.0 3.0
   62    59    69    71   0.15000  1.0 3.0
   62    59    69    72   0.15000  1.0 3.0
   63    62    39    33   0.15000  1.0 3.0
   63    62    39    51   0.15000  1.0 3.0
   63    62    39    40   0.15000  1.0 3.0
   64    62    39    33   0.15000  1.0 3.0
   64    62    39    51   0.15000  1.0 3.0
   64    62    39    40   0.15000  1.0 3.0
   39    33   -38    41   0.46850  1.0 1.0
   39    33   -38    41   0.08550 -1.0 2.0
   39    33   -38    41   0.09800  1.0 3.0
   39    33    38    42   0.09850  1.0 1.0
   39    33    38    42   0.15250 -1.0 2.0
   39    33    38    42  -0.50650  1.0 3.0
   39    51    54    55   0.15000  1.0 3.0
   39    51    54    56   0.15000  1.0 3.0
   39    51   -54    59   0.56750  1.0 1.0
   39    51   -54    59  -0.07550 -1.0 2.0
   39    51   -54    59   0.20000  1.0 3.0
   65    59    62    63   0.15000  1.0 3.0
   65    59    62    64   0.15000  1.0 3.0
   65    59    62    39   0.56750  1.0 1.0
   65    59    62    39  -0.07550 -1.0 2.0
   65    59    62    39   0.20000  1.0 3.0
   65    59    69    70   0.15000  1.0 3.0
   65    59    69    71   0.15000  1.0 3.0
   65    59    69    72   0.15000  1.0 3.0
   69    59    62    63   0.15000  1.0 3.0
   69    59    62    64   0.15000  1.0 3.0
   69    59    62    39   0.56750  1.0 1.0
   69    59    62    39  -0.07550 -1.0 2.0
   69    59    62    39   0.20000  1.0 3.0
   69    59    65    66   0.15000  1.0 3.0
   69    59    65    67   0.15000  1.0 3.0
   69    59    65    68   0.15000  1.0 3.0
   42    38    41    45   0.09850  1.0 1.0
   42    38    41    45   0.15250 -1.0 2.0
   42    38    41    45  -0.50650  1.0 3.0
   42    38    41    48   0.09850  1.0 1.0
   42    38    41    48   0.15250 -1.0 2.0
   42    38    41    48  -0.50650  1.0 3.0
   42    38    41    57   0.09850  1.0 1.0
   42    38    41    57   0.15250 -1.0 2.0
   42    38    41    57  -0.50650  1.0 3.0
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
   37    30    35    36  10.50000 -1.0 2.0
   33    41    38    42   1.10000 -1.0 2.0
   48    53    49    50  10.50000 -1.0 2.0
   43    44    42    38   1.10000 -1.0 2.0
END
