* LIGAND DATABASE FILE (OPLS2005)
*
001      67    68    122    189     359
    1     0 S   NP   _N1_     1    29.07311    93.94417   -19.24395
    2     1 S   H    _HN1     2     1.02980   108.35985    45.32407
    3     1 S   H    _H1_     3     1.02830    30.39866   137.97779
    4     1 S   H    _H2_     4     1.02781    79.04428   -60.43648
    5     1 S   CT   _CA1     5     1.50113   132.87709  -170.66382
    6     5 S   HC   _HA1     6     1.09570   105.32956    34.40260
    7     5 S   CO3  _C1_     7     1.53835   112.28158   -85.90448
    8     7 S   O2Z  _O11     8     1.26341   115.07801   -46.25958
    9     7 S   O2Z  _O12     9     1.26239   114.93214   133.05420
   10     5 S   CT   _CB1    10     1.53052   107.33648   152.28129
   11    10 S   HC   HB11    11     1.09813   109.41034   -51.35777
   12    10 S   HC   HB12    12     1.09808   110.29170    65.06019
   13    10 S   CT   _CG1    13     1.53032   112.80593  -172.70080
   14    13 S   HC   HG11    14     1.09537   110.15850   -57.50404
   15    13 S   HC   HG12    15     1.09581   110.48381    61.60582
   16    13 S   C    _CD1    16     1.51770   111.34214  -178.59584
   17    16 S   O    _OE1    17     1.22778   122.75408   -29.64399
   18    16 S   N    _N2_    18     1.38494   112.17491   151.18295
   19    18 S   H    _HN2    19     1.01574   119.19745     2.45160
   20    18 S   CT1  _CA2    20     1.46231   123.37150  -175.09112
   21    20 S   HC   _HA2    21     1.09725   109.40585   -18.44352
   22    20 S   C    _C2_    22     1.53354   108.22975  -134.35767
   23    22 S   O    _O2_    23     1.23000   122.32222  -145.06064
   24    20 S   CT   _CB2    32     1.53581   111.02344   103.67995
   25    24 S   HC   HB21    33     1.09483   109.32595    54.39409
   26    24 S   HC   HB22    34     1.09497   110.53390   172.89146
   27    22 S   N    _N3_    24     1.38533   113.26628    42.27051
   28    27 S   H    _HN3    25     1.01539   118.91380    -0.44587
   29    24 S   S    _SG2    35     1.83073   111.59137   -67.92269
   30    27 S   CT   _CA3    26     1.45442   123.37638   175.19499
   31    30 S   HC   HA31    27     1.09529   109.14962    25.92287
   32    30 S   HC   HA32    28     1.09493   107.13931   142.90954
   33    29 S   CT   _C5_    36     1.85299   101.42712   149.50459
   34    30 S   CO3  _C3_    29     1.52930   113.19663   -97.49718
   35    34 S   O2Z  _O31    30     1.26397   115.44456   -43.72266
   36    34 S   O2Z  _O32    31     1.26363   114.95954   137.23536
   37    33 S   CT   _C6_    37     1.55281   113.15665  -176.59061
   38    37 S   HC   _H3_    38     1.10085   107.61688  -174.32729
   39    33 S   CT   _C4_    64     1.54238   106.76430    63.49090
   40    39 S   HC   _H4_    65     1.09617   111.85579   -67.82230
   41    39 S   HC   _H5_    66     1.09720   110.32334   175.67070
   42    39 S   HC   _H6_    67     1.09496   112.94875    54.81991
   43    37 S   SY   _S1_    39     1.79265   112.98735    74.15329
   44    43 S   OY   _O33    40     1.44893   110.45459   -64.80813
   45    43 S   OY   _O34    41     1.45093   107.95124   161.18984
   46    37 S   C    _C9_    49     1.53005   115.56736   -53.53299
   47    46 S   O    _O36    50     1.22727   121.75355    86.28351
   48    43 S   CT   _C7_    42     1.77255   100.48208    48.99731
   49    48 S   HC   _H7_    43     1.09244   107.90149  -174.24187
   50    48 S   HC   _H8_    44     1.09469   106.86664    68.36938
   51    46 S   N    _N4_    51     1.39191   111.85860   -93.69582
   52    51 S   H    _H11    52     1.01660   117.59054    -0.83087
   53    48 S   CT   _C8_    45     1.51157   109.85227   -52.18729
   54    53 S   HC   _H9_    46     1.09496   108.95530  -179.51949
   55    53 S   HC   _H10    47     1.09371   111.98354   -61.70867
   56    51 S   CA   _C10    53     1.41518   127.49872   179.14134
   57    33 S   OS   _O35    48     1.44571   113.10430   -50.46508
   58    56 S   CA   _C11    54     1.40313   116.82815   179.88131
   59    58 S   HA   _H12    55     1.08777   120.67213    -0.08847
   60    58 S   CA   _C12    56     1.39650   120.79224   179.91844
   61    60 S   HA   _H13    57     1.08625   119.98184   179.98022
   62    60 S   CA   _C13    58     1.39142   119.97665    -0.01978
   63    62 S   HA   _H14    59     1.08601   120.15868  -180.00000
   64    62 S   CA   _C14    60     1.39272   119.72623    -0.00000
   65    64 S   HA   _H15    61     1.08669   119.85722  -179.97202
   66    56 S   CA   _C15    62     1.39795   124.41303    -0.25411
   67    66 S   HA   _H16    63     1.08382   122.37227     0.04846
  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  11   5   4   3
  17   2   1   1  18   9   7   3   2   1  12   6   5   8   3   6
   5   4   8   3   3   2   1   9   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    57    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    53    57    46    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    45    48    53    54    55    57    46    47    51    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    45    48    49    50    53    57    46    47    51    52    56    39    40    41    42  
   43    44    45    48    57    46    47    51    39  
   40    41    42    43    46    53    57  
   41    42    57  
   42    57  
   57  
   44    45    48    49    50    53    54    55    57    46    47    51  
   45    48    49    50    53    46  
   48    49    50    53    46  
   47    51    52    56    58    66    48    57  
   51    52    56  
   49    50    53    54    55    57  
   50    53    54    55    57  
   53    54    55    57  
   52    56    58    59    60    64    66    67  
   56    58    66  
   54    55    57  
   55    57  
   57  
   58    59    60    61    62    64    65    66    67  
    0  
   59    60    61    62    63    64    66    67  
   60    61    62    66  
   61    62    63    64    65    66  
   62    63    64  
   63    64    65    66    67  
   64    65    66  
   65    66    67  
   66    67  
   67  
    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  -0.316400   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   0.348900   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.119100   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.178700   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.2500   0.940800   2.0025   1.7750   0.025682759  -1.666211680
   44   2.9600   0.1700  -0.530000   1.6780   1.4800   0.001000000  -0.126889456
   45   2.9600   0.1700  -0.530000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   48   3.5000   0.0660  -0.297800   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.178700   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.178700   1.4250   1.2500   0.008598240   0.268726247
   51   3.2500   0.1700  -0.385000   1.8100   1.6000   0.054801302  -1.445846770
   52   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   53   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   57   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   58   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   62   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    57   320.000  1.410
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    43   205.000  1.840
   37    46   317.000  1.522
   43    44   735.000  1.471
   43    45   735.000  1.471
   43    48   205.000  1.840
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    53   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    57   320.000  1.410
   46    47   570.000  1.229
   46    51   490.000  1.335
   51    52   434.000  1.010
   51    56   360.000  1.404
   56    58   469.000  1.400
   56    66   469.000  1.400
   58    59   367.000  1.080
   58    60   469.000  1.400
   60    61   367.000  1.080
   60    62   469.000  1.400
   62    63   367.000  1.080
   62    64   469.000  1.400
   64    65   367.000  1.080
   64    66   469.000  1.400
   66    67   367.000  1.080
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    57    85.00000  114.68000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    43    75.00000  110.51500
   33    37    46    63.00000  111.10000
   33    57    53    60.00000  109.50000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44   100.00000  108.55000
   37    43    45   100.00000  108.55000
   37    43    48    85.00000  101.44300
   37    46    47    80.00000  120.40000
   37    46    51    70.00000  116.60000
   43    37    38    45.00000  108.39800
   43    48    49    45.00000  108.39800
   43    48    50    45.00000  108.39800
   43    48    53    75.00000  110.51500
   45    43    44   115.00000  120.17200
   48    43    44   100.00000  108.55000
   48    43    45   100.00000  108.55000
   48    53    54    37.50000  110.70000
   48    53    55    37.50000  110.70000
   48    53    57    50.00000  109.50000
   50    48    49    33.00000  107.80000
   53    48    49    37.50000  110.70000
   53    48    50    37.50000  110.70000
   55    53    54    33.00000  107.80000
   57    33    37    50.00000  109.50000
   57    53    54    35.00000  109.50000
   57    53    55    35.00000  109.50000
   46    37    38    35.00000  109.50000
   46    37    43    75.00000  108.36600
   46    51    52    35.00000  119.80000
   46    51    56    65.00000  121.96500
   51    46    47    80.00000  122.90000
   51    56    58    70.00000  119.01900
   51    56    66    70.00000  119.01900
   56    51    52    45.00000  118.23600
   56    58    59    35.00000  120.00000
   56    58    60    63.00000  120.00000
   56    66    64    63.00000  120.00000
   56    66    67    35.00000  120.00000
   58    60    61    35.00000  120.00000
   58    60    62    63.00000  120.00000
   60    58    59    35.00000  120.00000
   60    62    63    35.00000  120.00000
   60    62    64    63.00000  120.00000
   62    60    61    35.00000  120.00000
   62    64    65    35.00000  120.00000
   62    64    66    63.00000  120.00000
   64    62    63    35.00000  120.00000
   64    66    67    35.00000  120.00000
   66    56    58    63.00000  120.00000
   66    64    65    35.00000  120.00000
   39    33    37    58.35000  112.70000
   39    33    57    50.00000  109.50000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    57   0.13850  1.0 1.0
   24    29    33    57  -1.34450 -1.0 2.0
   24    29    33    57   0.57400  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    37    38   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    37    46   0.56750  1.0 1.0
   29    33    37    46  -0.07550 -1.0 2.0
   29    33    37    46   0.20000  1.0 3.0
   29    33    57    53   0.14700  1.0 1.0
   29    33    57    53  -1.16150 -1.0 2.0
   29    33    57    53   0.48700  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    37    43    44  -0.82900  1.0 1.0
   33    37    43    44   0.81700 -1.0 2.0
   33    37    43    44  -0.10400  1.0 3.0
   33    37    43    45  -0.82900  1.0 1.0
   33    37    43    45   0.81700 -1.0 2.0
   33    37    43    45  -0.10400  1.0 3.0
   33    37    43    48  -0.27700  1.0 1.0
   33    37    43    48   0.98450 -1.0 2.0
   33    37    43    48   0.60850  1.0 3.0
   33    37    46    47   0.30150 -1.0 2.0
   33    37    46    51   1.39750  1.0 1.0
   33    37    46    51  -0.07950 -1.0 2.0
   33    37    46    51  -0.18750  1.0 3.0
   37    33    57    53   0.06250  1.0 1.0
   37    33    57    53  -0.01100 -1.0 2.0
   37    33    57    53   0.28050  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    43    48    49  -0.13900  1.0 3.0
   37    43    48    50  -0.13900  1.0 3.0
   37    43   -48    53  -0.27700  1.0 1.0
   37    43   -48    53   0.98450 -1.0 2.0
   37    43   -48    53   0.60850  1.0 3.0
   37    46    51    52   2.45000 -1.0 2.0
   37    46    51    56   0.76000  1.0 1.0
   37    46    51    56   4.11600 -1.0 2.0
   38    37    43    44   0.26000  1.0 3.0
   38    37    43    45   0.26000  1.0 3.0
   38    37    43    48  -0.13900  1.0 3.0
   38    37    46    47   0.00000  1.0 1.0
   38    37    46    51   0.00000  1.0 1.0
   43    37    46    47   0.30150 -1.0 2.0
   43    37    46    51   0.00000  1.0 1.0
   43    48    53    54   0.15000  1.0 3.0
   43    48    53    55   0.15000  1.0 3.0
   43    48    53    57   0.56750  1.0 1.0
   43    48    53    57  -0.07550 -1.0 2.0
   43    48    53    57   0.20000  1.0 3.0
   44    43    48    49   0.26000  1.0 3.0
   44    43    48    50   0.26000  1.0 3.0
   44    43    48    53  -0.82900  1.0 1.0
   44    43    48    53   0.81700 -1.0 2.0
   44    43    48    53  -0.10400  1.0 3.0
   45    43    48    49   0.26000  1.0 3.0
   45    43    48    50   0.26000  1.0 3.0
   45    43    48    53  -0.82900  1.0 1.0
   45    43    48    53   0.81700 -1.0 2.0
   45    43    48    53  -0.10400  1.0 3.0
   48    53   -57    33   0.06250  1.0 1.0
   48    53   -57    33  -0.01100 -1.0 2.0
   48    53   -57    33   0.28050  1.0 3.0
   49    48    53    54   0.15000  1.0 3.0
   49    48    53    55   0.15000  1.0 3.0
   49    48    53    57   0.23400  1.0 3.0
   50    48    53    54   0.15000  1.0 3.0
   50    48    53    55   0.15000  1.0 3.0
   50    48    53    57   0.23400  1.0 3.0
   54    53    57    33   0.37050  1.0 3.0
   55    53    57    33   0.37050  1.0 3.0
   57    33    37    38   0.23400  1.0 3.0
   57    33   -37    43   0.56750  1.0 1.0
   57    33   -37    43  -0.07550 -1.0 2.0
   57    33   -37    43   0.20000  1.0 3.0
   57    33    37    46  -0.09450  1.0 1.0
   57    33    37    46  -1.12950 -1.0 2.0
   57    33    37    46   0.54000  1.0 3.0
   57    33    39    40   0.23400  1.0 3.0
   57    33    39    41   0.23400  1.0 3.0
   57    33    39    42   0.23400  1.0 3.0
   46    37    43    44  -0.67400  1.0 1.0
   46    37    43    44   0.68950 -1.0 2.0
   46    37    43    44  -0.11550  1.0 3.0
   46    37    43    45  -0.67400  1.0 1.0
   46    37    43    45   0.68950 -1.0 2.0
   46    37    43    45  -0.11550  1.0 3.0
   46    37    43    48  -0.14800  1.0 1.0
   46    37    43    48   0.81200 -1.0 2.0
   46    37    43    48   0.62850  1.0 3.0
   46    51    56    58   1.00100  1.0 1.0
   46    51    56    58   0.85050 -1.0 2.0
   46    51    56    66   1.00100  1.0 1.0
   46    51    56    66   0.85050 -1.0 2.0
   47    46    51    52   2.45000 -1.0 2.0
   47    46    51    56   0.04000 -1.0 2.0
   51    56    58    59   3.62500 -1.0 2.0
   51    56    58    60   3.62500 -1.0 2.0
   51    56    66    64   3.62500 -1.0 2.0
   51    56    66    67   3.62500 -1.0 2.0
   52    51    56    58   0.97800 -1.0 2.0
   52    51    56    66   0.97800 -1.0 2.0
   56    58    60    61   3.62500 -1.0 2.0
   56    58    60    62   3.62500 -1.0 2.0
   58    56    66    64   3.62500 -1.0 2.0
   58    56    66    67   3.62500 -1.0 2.0
   58    60    62    63   3.62500 -1.0 2.0
   58    60   -62    64   3.62500 -1.0 2.0
   59    58    60    61   3.62500 -1.0 2.0
   59    58    60    62   3.62500 -1.0 2.0
   60    62    64    65   3.62500 -1.0 2.0
   60    62    64    66   3.62500 -1.0 2.0
   61    60    62    63   3.62500 -1.0 2.0
   61    60    62    64   3.62500 -1.0 2.0
   62    64   -66    56   3.62500 -1.0 2.0
   62    64    66    67   3.62500 -1.0 2.0
   63    62    64    65   3.62500 -1.0 2.0
   63    62    64    66   3.62500 -1.0 2.0
   65    64    66    56   3.62500 -1.0 2.0
   65    64    66    67   3.62500 -1.0 2.0
   66    56    58    59   3.62500 -1.0 2.0
   66    56   -58    60   3.62500 -1.0 2.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    43  -1.30150  1.0 1.0
   39    33    37    46  -0.95700  1.0 1.0
   39    33    37    46  -0.18200 -1.0 2.0
   39    33    37    46   0.29450  1.0 3.0
   39    33    57    53   0.06250  1.0 1.0
   39    33    57    53  -0.01100 -1.0 2.0
   39    33    57    53   0.28050  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   37    51    46    47  10.50000 -1.0 2.0
   52    46    51    56   1.00000 -1.0 2.0
   58    66    56    51   4.00000 -1.0 2.0
   60    59    58    56   1.10000 -1.0 2.0
   62    61    60    58   1.10000 -1.0 2.0
   64    63    62    60   1.10000 -1.0 2.0
   66    65    64    62   1.10000 -1.0 2.0
   64    67    66    56   1.10000 -1.0 2.0
END
