* LIGAND DATABASE FILE (OPLS2005)
*
001      77    78    135    212     399
    1     0 S   NP   _N1_     1    28.53432    95.58581   -21.94595
    2     1 S   H    _HN1     2     1.02953    80.03790    11.47422
    3     1 S   H    _H1_     3     1.02828    34.98428   151.98692
    4     1 S   H    _H2_     4     1.02780    96.61434   -96.06806
    5     1 S   CT   _CA1     5     1.50131   142.95363   122.24171
    6     5 S   HC   _HA1     6     1.09564   105.23728    77.09388
    7     5 S   CO3  _C1_     7     1.53840   112.19145   -43.24196
    8     7 S   O2Z  _O11     8     1.26370   114.93418   -45.63468
    9     7 S   O2Z  _O12     9     1.26204   114.94870   133.26727
   10     5 S   CT   _CB1    10     1.53081   107.39717  -164.83970
   11    10 S   HC   HB11    11     1.09831   109.61369   -48.20310
   12    10 S   HC   HB12    12     1.09813   110.35233    68.44179
   13    10 S   CT   _CG1    13     1.52996   112.56530  -169.09553
   14    13 S   HC   HG11    14     1.09596   110.60328   -61.68714
   15    13 S   HC   HG12    15     1.09652   109.85778    57.54266
   16    13 S   C    _CD1    16     1.51838   112.15418   178.16549
   17    16 S   O    _OE1    17     1.22743   123.26581     5.09489
   18    16 S   N    _N2_    18     1.38645   111.73568  -175.51363
   19    18 S   H    _HN2    19     1.01588   118.98586     3.27525
   20    18 S   CT1  _CA2    20     1.46319   123.38594  -178.52435
   21    20 S   HC   _HA2    21     1.09732   109.30019     0.26688
   22    20 S   C    _C2_    22     1.53416   108.96275  -115.49428
   23    22 S   O    _O2_    23     1.23058   122.21811  -149.30873
   24    20 S   CT   _CB2    32     1.53440   111.28339   121.93151
   25    24 S   HC   HB21    33     1.09558   109.53218    58.66768
   26    24 S   HC   HB22    34     1.09502   110.67758   177.76691
   27    22 S   N    _N3_    24     1.38314   113.70259    38.19587
   28    27 S   H    _HN3    25     1.01608   119.53380    -3.61363
   29    24 S   S    _SG2    35     1.82513   111.15222   -62.02464
   30    27 S   CT   _CA3    26     1.45291   123.17344   176.97793
   31    30 S   HC   HA31    27     1.09552   107.51718   -64.15715
   32    30 S   HC   HA32    28     1.09558   107.96399    52.26188
   33    29 S   CT   _C20    36     1.83187    99.57127   171.98604
   34    33 S   F    F2__    37     1.36629   108.78399   -42.15516
   35    33 S   F    F3__    38     1.36352   108.71525    71.16742
   36    30 S   CO3  _C3_    29     1.52948   114.11719   174.24916
   37    36 S   O2Z  _O31    30     1.26371   116.06308    -0.83439
   38    36 S   O2Z  _O32    31     1.26430   114.41415   179.23383
   39    33 S   CA   _C18    39     1.51691   109.56397  -164.55184
   40    39 S   CA   _C19    40     1.41176   117.89501    91.72677
   41    40 S   HA   _H15    41     1.08606   117.76316     0.58417
   42    40 S   CA   _C14    42     1.39802   121.55404  -176.47147
   43    42 S   CA   _C15    43     1.39739   118.76175     0.01978
   44    43 S   HA   _H13    44     1.08767   120.74255   179.36634
   45    42 S   N    _N4_    50     1.41438   123.79883   177.37550
   46    45 S   H    _H12    51     1.01561   115.14975  -170.07021
   47    43 S   CA   _C16    45     1.39637   120.56178    -0.71628
   48    47 S   HA   _H14    46     1.08845   118.78410  -179.93744
   49    45 S   C    _C13    52     1.39051   126.85685    11.06331
   50    49 S   O    _O35    53     1.22994   126.13824    10.61133
   51    39 S   CA   _C17    47     1.40591   123.29786   -85.03382
   52    49 S   CT   _C5_    54     1.54159   113.39669  -169.94576
   53    51 S   CZ   _C21    48     1.43401   122.20931    -2.15286
   54    53 S   NZ   _N5_    49     1.16056   179.48948   163.65469
   55    52 S   CT   _C4_    55     1.53297   110.65096   -61.89299
   56    55 S   HC   _H3_    56     1.09619   110.78816  -169.86511
   57    55 S   HC   _H4_    57     1.09641   110.69914   -51.81324
   58    55 S   HC   _H5_    58     1.09436   112.54407    68.92923
   59    52 S   CT   _C6_    59     1.53574   112.66975    61.86779
   60    59 S   HC   _H6_    60     1.09504   111.28201   -66.39216
   61    59 S   HC   _H7_    61     1.09650   109.93818   172.76888
   62    52 S   OH   _O36    76     1.42702   108.76066  -178.47338
   63    62 S   HO   _H16    77     0.97310   107.99092    54.66511
   64    59 S   SY   _S1_    62     1.79574   113.94998    54.30985
   65    64 S   OY   _O33    63     1.44973   108.70776    62.16886
   66    64 S   OY   _O34    64     1.45004   109.21034   -71.46669
   67    64 S   CA   _C7_    65     1.77261   102.66471   175.79518
   68    67 S   CA   _C8_    66     1.39746   118.81392    75.78903
   69    68 S   HA   _H8_    67     1.08612   121.29506    -0.75485
   70    68 S   CA   _C9_    68     1.39342   119.32794   178.97130
   71    70 S   HA   _H9_    69     1.08536   120.35479  -179.88465
   72    70 S   CA   _C10    70     1.39238   119.51425    -0.32445
   73    72 S   F    F1__    71     1.34035   119.41816  -179.88465
   74    72 S   CA   _C11    72     1.39263   121.17006     0.03956
   75    74 S   HA   _H10    73     1.08548   120.10052  -179.68534
   76    67 S   CA   _C12    74     1.39605   120.02623  -105.78620
   77    76 S   HA   _H11    75     1.08569   121.63108     0.83039
  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   6   5   4   3
   9   4   3   2   1   1  10  10   4  10   8   4   8   3   4   2
  12   4   2  13   1   1   9   4   3   2  10   6   5   2   1   9
   4   3   9   8   4   6   3   5   3   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    51  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    47    51    53  
   35    39    40    51  
   39    40    51  
   37    38  
   38  
    0  
   40    41    42    43    47    48    51    53    54    45  
   41    42    43    44    47    51    53    45    46    49  
   42    43    51    45  
   43    44    47    48    51    45    46    49    50    52  
   44    47    48    51    53    45    46    49  
   47    48    51    45  
   46    49    50    52    55    59    62    47  
   49    50    52  
   48    51    53    54  
   51    53  
   50    52    55    56    57    58    59    60    61    64    62    63  
   52    55    59    62  
   53    54  
   55    56    57    58    59    60    61    64    65    66    67    62    63  
   54  
    0  
   56    57    58    59    60    61    64    62    63  
   57    58    59    62  
   58    59    62  
   59    62  
   60    61    64    65    66    67    68    76    62    63  
   61    64    65    66    67    62  
   64    65    66    67    62  
   63    64  
    0  
   65    66    67    68    69    70    74    76    77  
   66    67    68    76  
   67    68    76  
   68    69    70    71    72    74    75    76    77  
   69    70    71    72    73    74    76    77  
   70    71    72    76  
   71    72    73    74    75    76  
   72    73    74  
   73    74    75    76    77  
   74    75    76  
   75    76    77  
   76    77  
   77  
    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  -0.175000   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   3.2500   0.0620   0.407500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   35   2.9500   0.0530  -0.120000   2.4980   2.2250   0.001000000   0.985400000
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0700  -0.160000   2.5000   1.7750   0.001000000  -0.843144165
   40   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   41   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   42   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   44   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   45   3.2500   0.1700  -0.385000   1.8100   1.6000   0.054801302  -1.445846770
   46   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   51   3.5500   0.0700   0.035000   2.0020   1.7750   0.001000000  -0.843144165
   52   3.5000   0.0660   0.401100   1.9750   1.7500   0.005000000  -0.741685710
   53   3.6500   0.1500   0.395000   1.8100   1.6000   0.025318638  -1.264311570
   54   3.2800   0.1700  -0.430000   2.2500   2.0000   0.024786691  -1.117108600
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.433900   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.178700   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.178700   1.4250   1.2500   0.008598240   0.268726247
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5500   0.2500   0.862400   2.0025   1.7750   0.025682759  -1.666211680
   65   2.9600   0.1700  -0.530000   1.6780   1.4800   0.001000000  -0.126889456
   66   2.9600   0.1700  -0.530000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.5500   0.0700   0.138000   2.5000   1.7750   0.001000000  -0.843144165
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5500   0.0700   0.220000   2.5000   1.7750   0.001000000  -0.843144165
   73   2.8500   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   77   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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   367.000  1.332
   33    35   367.000  1.332
   33    39   317.000  1.510
   39    40   469.000  1.400
   39    51   469.000  1.400
   40    41   367.000  1.080
   40    42   469.000  1.400
   42    43   469.000  1.400
   42    45   360.000  1.404
   43    44   367.000  1.080
   43    47   469.000  1.400
   47    48   367.000  1.080
   47    51   469.000  1.400
   51    53   400.000  1.451
   53    54   650.000  1.157
   45    46   434.000  1.010
   45    49   490.000  1.335
   49    50   570.000  1.229
   49    52   317.000  1.522
   52    55   268.000  1.529
   52    59   268.000  1.529
   52    62   320.000  1.410
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    64   205.000  1.840
   64    65   735.000  1.471
   64    66   735.000  1.471
   64    67   225.000  1.779
   67    68   469.000  1.400
   67    76   469.000  1.400
   68    69   367.000  1.080
   68    70   469.000  1.400
   70    71   367.000  1.080
   70    72   469.000  1.400
   72    73   420.000  1.354
   72    74   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    77   367.000  1.080
   62    63   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    90.00000  110.13500
   29    33    35    90.00000  110.13500
   29    33    39    80.00000  109.48900
   33    39    40    70.00000  120.00000
   33    39    51    70.00000  120.00000
   35    33    34    77.00000  109.10000
   39    33    34    50.00000  109.50000
   39    33    35    50.00000  109.50000
   39    40    41    35.00000  120.00000
   39    40    42    63.00000  120.00000
   39    51    47    63.00000  120.00000
   39    51    53    70.00000  120.00000
   40    42    43    63.00000  120.00000
   40    42    45    70.00000  119.01900
   42    40    41    35.00000  120.00000
   42    43    44    35.00000  120.00000
   42    43    47    63.00000  120.00000
   42    45    46    45.00000  118.23600
   42    45    49    65.00000  121.96500
   43    47    48    35.00000  120.00000
   43    47    51    63.00000  120.00000
   47    43    44    35.00000  120.00000
   47    51    53    70.00000  120.00000
   51    39    40    63.00000  120.00000
   51    47    48    35.00000  120.00000
   51    53    54   150.00000  180.00000
   45    42    43    70.00000  119.01900
   45    49    50    80.00000  122.90000
   45    49    52    70.00000  116.60000
   49    45    46    35.00000  119.80000
   49    52    55    63.00000  111.10000
   49    52    59    63.00000  111.10000
   49    52    62    95.00000  109.52300
   52    49    50    80.00000  120.40000
   52    55    56    37.50000  110.70000
   52    55    57    37.50000  110.70000
   52    55    58    37.50000  110.70000
   52    59    60    37.50000  110.70000
   52    59    61    37.50000  110.70000
   52    59    64    75.00000  110.51500
   52    62    63    55.00000  108.50000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   59    52    55    58.35000  112.70000
   59    64    65   100.00000  108.55000
   59    64    66   100.00000  108.55000
   59    64    67    80.00000  103.86900
   61    59    60    33.00000  107.80000
   64    59    60    45.00000  108.39800
   64    59    61    45.00000  108.39800
   64    67    68    65.00000  117.06700
   64    67    76    65.00000  117.06700
   66    64    65   115.00000  120.17200
   67    64    65   100.00000  107.67100
   67    64    66   100.00000  107.67100
   67    68    69    35.00000  120.00000
   67    68    70    63.00000  120.00000
   67    76    74    63.00000  120.00000
   67    76    77    35.00000  120.00000
   68    70    71    35.00000  120.00000
   68    70    72    63.00000  120.00000
   70    68    69    35.00000  120.00000
   70    72    73    80.00000  120.00000
   70    72    74    63.00000  120.00000
   72    70    71    35.00000  120.00000
   72    74    75    35.00000  120.00000
   72    74    76    63.00000  120.00000
   74    72    73    80.00000  120.00000
   74    76    77    35.00000  120.00000
   76    67    68    63.00000  120.00000
   76    74    75    35.00000  120.00000
   62    52    55    50.00000  109.50000
   62    52    59    50.00000  109.50000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  1.0 3.0
   24    29    33    35   0.01700  1.0 1.0
   24    29    33    35  -0.23550 -1.0 2.0
   24    29    33    35   0.21350  1.0 3.0
   24    29    33    39  -0.23050  1.0 1.0
   24    29    33    39   0.06200 -1.0 2.0
   24    29    33    39   0.47200  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    39    40  -0.16000  1.0 1.0
   29    33    39    40  -0.03200 -1.0 2.0
   29    33    39    40   0.04500  1.0 3.0
   29    33    39    51  -0.16000  1.0 1.0
   29    33    39    51  -0.03200 -1.0 2.0
   29    33    39    51   0.04500  1.0 3.0
   33    39    40    41   3.62500 -1.0 2.0
   33    39    40    42   3.62500 -1.0 2.0
   33    39    51    47   3.62500 -1.0 2.0
   33    39    51    53   3.62500 -1.0 2.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    51   0.00000  1.0 1.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    51   0.00000  1.0 1.0
   39    40    42    43   3.62500 -1.0 2.0
   39    40    42    45   3.62500 -1.0 2.0
   39    51    53    54   0.00000  1.0 1.0
   40    39    51    47   3.62500 -1.0 2.0
   40    39    51    53   3.62500 -1.0 2.0
   40    42    43    44   3.62500 -1.0 2.0
   40    42   -43    47   3.62500 -1.0 2.0
   40    42    45    46   0.97800 -1.0 2.0
   40    42    45    49   1.00100  1.0 1.0
   40    42    45    49   0.85050 -1.0 2.0
   41    40    42    43   3.62500 -1.0 2.0
   41    40    42    45   3.62500 -1.0 2.0
   42    43    47    48   3.62500 -1.0 2.0
   42    43    47    51   3.62500 -1.0 2.0
   42    45    49    50   0.04000 -1.0 2.0
   42    45    49    52   0.76000  1.0 1.0
   42    45    49    52   4.11600 -1.0 2.0
   43    42    45    46   0.97800 -1.0 2.0
   43    42    45    49   1.00100  1.0 1.0
   43    42    45    49   0.85050 -1.0 2.0
   43    47   -51    39   3.62500 -1.0 2.0
   43    47    51    53   3.62500 -1.0 2.0
   44    43    47    48   3.62500 -1.0 2.0
   44    43    47    51   3.62500 -1.0 2.0
   47    51    53    54   0.00000  1.0 1.0
   48    47    51    39   3.62500 -1.0 2.0
   48    47    51    53   3.62500 -1.0 2.0
   51    39    40    41   3.62500 -1.0 2.0
   51    39   -40    42   3.62500 -1.0 2.0
   45    42    43    44   3.62500 -1.0 2.0
   45    42    43    47   3.62500 -1.0 2.0
   45    49    52    55   1.39750  1.0 1.0
   45    49    52    55  -0.07950 -1.0 2.0
   45    49    52    55  -0.18750  1.0 3.0
   45    49    52    59   1.39750  1.0 1.0
   45    49    52    59  -0.07950 -1.0 2.0
   45    49    52    59  -0.18750  1.0 3.0
   45    49    52    62   0.00000  1.0 1.0
   46    45    49    50   2.45000 -1.0 2.0
   46    45    49    52   2.45000 -1.0 2.0
   49    52    55    56  -0.11250  1.0 3.0
   49    52    55    57  -0.11250  1.0 3.0
   49    52    55    58  -0.11250  1.0 3.0
   49    52    59    60  -0.11250  1.0 3.0
   49    52    59    61  -0.11250  1.0 3.0
   49    52    59    64   0.56750  1.0 1.0
   49    52    59    64  -0.07550 -1.0 2.0
   49    52    59    64   0.20000  1.0 3.0
   49    52    62    63   0.91850  1.0 1.0
   49    52    62    63   0.57950  1.0 3.0
   50    49    52    55   0.30150 -1.0 2.0
   50    49    52    59   0.30150 -1.0 2.0
   50    49    52    62   0.30150 -1.0 2.0
   52    59    64    65  -0.82900  1.0 1.0
   52    59    64    65   0.81700 -1.0 2.0
   52    59    64    65  -0.10400  1.0 3.0
   52    59    64    66  -0.82900  1.0 1.0
   52    59    64    66   0.81700 -1.0 2.0
   52    59    64    66  -0.10400  1.0 3.0
   52    59    64    67  -0.87800  1.0 1.0
   52    59    64    67   0.38850 -1.0 2.0
   52    59    64    67   0.80100  1.0 3.0
   55    52    59    60   0.15000  1.0 3.0
   55    52    59    61   0.15000  1.0 3.0
   55    52    59    64  -1.30150  1.0 1.0
   55    52    62    63  -0.11600  1.0 1.0
   55    52    62    63  -0.09450 -1.0 2.0
   55    52    62    63   0.21250  1.0 3.0
   59    52    55    56   0.15000  1.0 3.0
   59    52    55    57   0.15000  1.0 3.0
   59    52    55    58   0.15000  1.0 3.0
   59    52    62    63  -0.11600  1.0 1.0
   59    52    62    63  -0.09450 -1.0 2.0
   59    52    62    63   0.21250  1.0 3.0
   59    64    67    68   0.07000  1.0 1.0
   59    64    67    68  -0.56050 -1.0 2.0
   59    64    67    68   0.52800  1.0 3.0
   59    64    67    76   0.07000  1.0 1.0
   59    64    67    76  -0.56050 -1.0 2.0
   59    64    67    76   0.52800  1.0 3.0
   60    59    64    65   0.26000  1.0 3.0
   60    59    64    66   0.26000  1.0 3.0
   60    59    64    67   0.00000  1.0 1.0
   61    59    64    65   0.26000  1.0 3.0
   61    59    64    66   0.26000  1.0 3.0
   61    59    64    67   0.00000  1.0 1.0
   64    67    68    69   3.62500 -1.0 2.0
   64    67    68    70   3.62500 -1.0 2.0
   64    67    76    74   3.62500 -1.0 2.0
   64    67    76    77   3.62500 -1.0 2.0
   65    64    67    68   0.19500  1.0 1.0
   65    64    67    68   0.12000 -1.0 2.0
   65    64    67    76   0.19500  1.0 1.0
   65    64    67    76   0.12000 -1.0 2.0
   66    64    67    68   0.19500  1.0 1.0
   66    64    67    68   0.12000 -1.0 2.0
   66    64    67    76   0.19500  1.0 1.0
   66    64    67    76   0.12000 -1.0 2.0
   67    68    70    71   3.62500 -1.0 2.0
   67    68    70    72   3.62500 -1.0 2.0
   68    67    76    74   3.62500 -1.0 2.0
   68    67    76    77   3.62500 -1.0 2.0
   68    70    72    73   3.62500 -1.0 2.0
   68    70   -72    74   3.62500 -1.0 2.0
   69    68    70    71   3.62500 -1.0 2.0
   69    68    70    72   3.62500 -1.0 2.0
   70    72    74    75   3.62500 -1.0 2.0
   70    72    74    76   3.62500 -1.0 2.0
   71    70    72    73   3.62500 -1.0 2.0
   71    70    72    74   3.62500 -1.0 2.0
   72    74   -76    67   3.62500 -1.0 2.0
   72    74    76    77   3.62500 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   73    72    74    76   3.62500 -1.0 2.0
   75    74    76    67   3.62500 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   76    67    68    69   3.62500 -1.0 2.0
   76    67   -68    70   3.62500 -1.0 2.0
   62    52    55    56   0.23400  1.0 3.0
   62    52    55    57   0.23400  1.0 3.0
   62    52    55    58   0.23400  1.0 3.0
   62    52    59    60   0.23400  1.0 3.0
   62    52    59    61   0.23400  1.0 3.0
   62    52    59    64   0.56750  1.0 1.0
   62    52    59    64  -0.07550 -1.0 2.0
   62    52    59    64   0.20000  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
   37    30    36    38  10.50000 -1.0 2.0
   40    51    39    33   4.00000 -1.0 2.0
   42    41    40    39   1.10000 -1.0 2.0
   43    45    42    40   4.00000 -1.0 2.0
   47    44    43    42   1.10000 -1.0 2.0
   51    48    47    43   1.10000 -1.0 2.0
   47    53    51    39   4.00000 -1.0 2.0
   46    49    45    42   1.00000 -1.0 2.0
   45    52    49    50  10.50000 -1.0 2.0
   68    76    67    64   4.00000 -1.0 2.0
   70    69    68    67   1.10000 -1.0 2.0
   72    71    70    68   1.10000 -1.0 2.0
   74    73    72    70   4.00000 -1.0 2.0
   76    75    74    72   1.10000 -1.0 2.0
   74    77    76    67   1.10000 -1.0 2.0
END
