* LIGAND DATABASE FILE (OPLS2005)
*
001      65    68    121    198     348
    1     0 S   NP   _N1_     1    29.13140   100.36983   -18.59116
    2     1 S   H    _HN1     2     1.02930    54.94514    14.62783
    3     1 S   H    _H1_     3     1.02840    65.38294   149.81783
    4     1 S   H    _H2_     4     1.02766    88.32684   -99.46931
    5     1 S   CT   _CA1     5     1.50360   158.52070    66.23036
    6     5 S   HC   _HA1     6     1.09575   104.87459   134.79690
    7     5 S   CO3  _C1_     7     1.53942   112.77084    15.68994
    8     7 S   O2Z  _O11     8     1.26422   114.97918   -21.99892
    9     7 S   O2Z  _O12     9     1.26233   115.17779   156.75737
   10     5 S   CT   _CB1    10     1.53170   107.21428  -107.36757
   11    10 S   HC   HB11    11     1.09834   109.22413   -44.45601
   12    10 S   HC   HB12    12     1.09784   110.29159    72.00165
   13    10 S   CT   _CG1    13     1.53059   113.08937  -165.37577
   14    13 S   HC   HG11    14     1.09466   110.78156   -70.24686
   15    13 S   HC   HG12    15     1.09674   109.72328    48.95756
   16    13 S   C    _CD1    16     1.51944   112.32106   169.15051
   17    16 S   O    _OE1    17     1.22743   123.23236     8.60400
   18    16 S   N    _N2_    18     1.38557   111.72922  -171.51536
   19    18 S   H    _HN2    19     1.01564   118.79649     3.26351
   20    18 S   CT1  _CA2    20     1.46015   123.17044   174.33552
   21    20 S   HC   _HA2    21     1.09713   109.23610    18.87133
   22    20 S   C    _C2_    22     1.52903   106.65306   -97.95562
   23    22 S   O    _O2_    23     1.22986   123.00966   -26.75128
   24    20 S   CT   _CB2    32     1.53111   111.86983   142.51653
   25    24 S   HC   HB21    33     1.09578   109.87071    50.07187
   26    24 S   HC   HB22    34     1.09505   110.96152   169.01542
   27    22 S   N    _N3_    24     1.38476   112.59195   155.92169
   28    27 S   H    _HN3    25     1.01663   120.37741    -1.99567
   29    24 S   S    _SG2    35     1.82534   110.45205   -71.53078
   30    27 S   CT   _CA3    26     1.45356   122.46416   178.61549
   31    30 S   HC   HA31    27     1.09569   107.75030   -56.60693
   32    30 S   HC   HA32    28     1.09562   107.66422    59.71800
   33    29 S   CT   _C18    36     1.83789    99.95268   147.74702
   34    33 S   HC   _H5_    37     1.09608   108.97619   -45.50271
   35    30 S   CO3  _C3_    29     1.52885   114.33772  -178.53500
   36    35 S   O2Z  _O31    30     1.26330   116.06231    -2.09050
   37    35 S   O2Z  _O32    31     1.26435   114.40870   177.90931
   38    33 S   CM   _C17    38     1.51526   108.42519    72.91773
   39    38 S   HC   _H12    39     1.08843   116.88173   -80.69533
   40    38 S   CMA  _C16    40     1.35278   123.79809   101.06727
   41    40 S   OM   _O37    41     1.25908   130.80629   179.31901
   42    40 S   CM   _C15    42     1.46730   117.91208    -2.51762
   43    42 S   HC   _H11    43     1.08817   119.69649  -166.37947
   44    42 S   CM   _C14    44     1.34490   121.50718    12.56776
   45    44 S   HC   _H10    45     1.08578   119.10407  -179.21093
   46    33 S   C3T  _C13    46     1.52847   108.52406  -164.31237
   47    46 S   C3T  _C12    47     1.53242   123.43501    68.00789
   48    47 S   HC   _H4_    48     1.08371   118.36855  -157.49817
   49    47 S   CT   _C10    49     1.49249   124.34268    -3.29307
   50    49 S   HC   _H3_    50     1.09602   113.12048    29.97153
   51    46 S   O3T  _O36    65     1.44821   111.56115   131.97442
   52    49 S   CO4  _C11    51     1.51074   112.80725   153.11343
   53    52 S   O    _O35    52     1.21568   127.89960   -55.79917
   54    49 S   OS   _O34    62     1.45298   109.40335   -90.12277
   55    52 S   CA   _C6_    53     1.43797   107.13466   123.79848
   56    55 S   CA   _C5_    54     1.37977   131.05706   177.47478
   57    56 S   HA   _H7_    55     1.08363   121.85722    -0.43431
   58    56 S   CA   _C4_    56     1.39537   116.97922  -179.90513
   59    58 S   HA   _H6_    57     1.08659   119.34318   179.22620
   60    58 S   CA   _C9_    58     1.40692   120.12296    -0.06561
   61    60 S   CA   _C8_    59     1.39607   121.59141    -0.43115
   62    61 S   HA   _H8_    60     1.08431   121.29990   179.97202
   63    60 S   OH   _O33    63     1.36808   120.55921   179.05788
   64    63 S   HO   _H9_    64     0.97268   108.30153    -5.17082
   65    55 S   CA   _C7_    61     1.37927   105.75471    -2.76824
  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
  13   7   2   1   1   9   4   6   3   6   3   6   3   7   9   5
   9   6   2   8   4   6   8   7   4   7   3   5   4   2   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    46    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    46    47    51  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    44    45    46    47    48    49    51  
   38    39    40    44    46    47    51  
   36    37  
   37  
    0  
   39    40    41    42    43    44    46    47    51  
   40    41    42    46  
   41    42    43    44    45    46  
   42    43    44  
   43    44    45    46    47    51  
   44    45    46  
   45    46    47    48    49    51  
   46    47    51  
   47    48    49    50    52    54    51  
   48    49    50    52    53    55    65    54    51  
   49    50    52    54    51  
   50    52    53    55    56    61    65    54    51  
   52    53    55    65    54    51  
   52    54  
   53    55    56    57    58    61    65    54  
   55    56    65    54  
   55    56    60    61    62    65  
   56    57    58    59    60    61    62    65  
   57    58    59    60    61    65    63  
   58    59    60    65  
   59    60    61    62    65    63    64  
   60    61    63  
   61    62    65    63    64  
   62    65    63    64  
   65    63  
   64    65  
    0  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   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  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   47   3.5000   0.0660   0.099700   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.234500   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   2.9000   0.1400  -0.352400   1.7660   1.5600   0.020110767  -0.896042159
   52   3.7500   0.1050   0.537000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.0700  -0.115000   2.0020   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   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   61   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   63   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
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    46   275.000  1.510
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   465.000  1.376
   42    43   340.000  1.080
   42    44   549.000  1.340
   44    45   340.000  1.080
   44    46   305.000  1.480
   46    47   260.000  1.509
   46    51   335.000  1.432
   47    48   340.000  1.088
   47    49   275.000  1.510
   47    51   335.000  1.432
   49    50   340.000  1.090
   49    52   317.000  1.522
   49    54   320.000  1.410
   52    53   570.000  1.229
   52    55   310.000  1.470
   55    56   469.000  1.400
   55    65   469.000  1.400
   56    57   367.000  1.080
   56    58   469.000  1.400
   58    59   367.000  1.080
   58    60   469.000  1.400
   60    61   469.000  1.400
   60    63   450.000  1.364
   61    62   367.000  1.080
   61    65   469.000  1.400
   65    54   450.000  1.364
   63    64   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    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    46    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    46    44    65.00000  117.55000
   33    46    47    60.00000  120.94000
   33    46    51    80.00000  116.47100
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    70.00000  123.01800
   40    38    39    40.00000  120.50800
   40    42    43    40.00000  120.50800
   40    42    44    70.00000  117.34000
   42    40    41    65.00000  137.10300
   42    44    45    35.00000  120.00000
   42    44    46    55.00000  125.06700
   44    42    43    35.00000  120.00000
   44    46    47    60.00000  120.58800
   44    46    51    85.00000  114.23300
   46    33    34    45.00000  109.38400
   46    33    38    70.00000  112.02700
   46    44    45    40.00000  117.24000
   46    47    48    37.50000  117.20000
   46    47    49    60.00000  120.94000
   46    47    51    15.00000   60.43100
   46    51    47    15.00000   59.14900
   47    49    50    45.00000  109.38400
   47    49    52    63.00000  111.10000
   47    49    54    50.00000  109.50000
   49    47    48    40.00000  115.04500
   49    52    53    80.00000  120.40000
   49    52    55    65.00000  115.47100
   49    54    65    75.00000  111.00000
   52    49    50    35.00000  109.50000
   52    55    56    60.00000  119.52600
   52    55    65    60.00000  119.52600
   55    52    53    75.00000  123.78400
   55    56    57    35.00000  120.00000
   55    56    58    63.00000  120.00000
   55    65    61    63.00000  120.00000
   55    65    54    70.00000  120.00000
   56    58    59    35.00000  120.00000
   56    58    60    63.00000  120.00000
   58    56    57    35.00000  120.00000
   58    60    61    63.00000  120.00000
   58    60    63    70.00000  120.00000
   60    58    59    35.00000  120.00000
   60    61    62    35.00000  120.00000
   60    61    65    63.00000  120.00000
   60    63    64    35.00000  113.00000
   61    65    54    70.00000  120.00000
   65    55    56    63.00000  120.00000
   65    61    62    35.00000  120.00000
   54    49    50    35.00000  109.50000
   54    49    52    90.00000  108.74100
   63    60    61    70.00000  120.00000
   51    46    47    15.00000   60.43100
   51    47    48    50.00000  114.27700
   51    47    49    80.00000  116.47100
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    46   0.01700  1.0 1.0
   24    29    33    46  -0.23550 -1.0 2.0
   24    29    33    46   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    39   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    46    44   0.56750  1.0 1.0
   29    33    46    44  -0.07550 -1.0 2.0
   29    33    46    44   0.20000  1.0 3.0
   29    33    46    47   0.44750  1.0 1.0
   29    33    46    47  -0.17800 -1.0 2.0
   29    33    46    47   0.20200  1.0 3.0
   29    33    46    51   0.56750  1.0 1.0
   29    33    46    51  -0.07550 -1.0 2.0
   29    33    46    51   0.20000  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    42   7.00000 -1.0 2.0
   33    46    47    48   0.15000  1.0 3.0
   33    46    47    49   0.56750  1.0 1.0
   33    46    47    49  -0.07550 -1.0 2.0
   33    46    47    49   0.20000  1.0 3.0
   33    46   -47    51   0.02550  1.0 1.0
   33    46   -47    51  -0.02600 -1.0 2.0
   33    46   -47    51   1.20400  1.0 3.0
   33    46   -51    47   0.06250  1.0 1.0
   33    46   -51    47  -0.01100 -1.0 2.0
   33    46   -51    47   0.28050  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    46    44   0.15000  1.0 3.0
   34    33    46    47   0.15000  1.0 3.0
   34    33    46    51   0.23400  1.0 3.0
   38    33    46    44   0.31000  1.0 1.0
   38    33    46    44   0.14700 -1.0 2.0
   38    33    46    44   0.07550  1.0 3.0
   38    33    46    47   0.34400  1.0 1.0
   38    33    46    47   0.09450 -1.0 2.0
   38    33    46    47   0.11100  1.0 3.0
   38    33    46    51   0.61850  1.0 1.0
   38    33    46    51  -0.22750 -1.0 2.0
   38    33    46    51   0.15300  1.0 3.0
   38    40    42    43   7.00000 -1.0 2.0
   38    40   -42    44   7.00000 -1.0 2.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42    44    45   7.00000 -1.0 2.0
   40    42    44    46   7.00000 -1.0 2.0
   41    40    42    43   7.00000 -1.0 2.0
   41    40    42    44   7.00000 -1.0 2.0
   42    44   -46    33   0.09850  1.0 1.0
   42    44   -46    33   0.15250 -1.0 2.0
   42    44   -46    33  -0.50650  1.0 3.0
   42    44    46    47   0.09850  1.0 1.0
   42    44    46    47   0.15250 -1.0 2.0
   42    44    46    47  -0.50650  1.0 3.0
   42    44    46    51   0.39000  1.0 1.0
   42    44    46    51  -0.05800 -1.0 2.0
   42    44    46    51  -0.55150  1.0 3.0
   43    42    44    45   7.00000 -1.0 2.0
   43    42    44    46   7.00000 -1.0 2.0
   44    46    47    48   0.15000  1.0 3.0
   44    46    47    49   0.34400  1.0 1.0
   44    46    47    49   0.09450 -1.0 2.0
   44    46    47    49   0.11100  1.0 3.0
   44    46   -47    51   0.61850  1.0 1.0
   44    46   -47    51  -0.22750 -1.0 2.0
   44    46   -47    51   0.15300  1.0 3.0
   44    46   -51    47  -0.77900  1.0 1.0
   44    46   -51    47  -0.36900 -1.0 2.0
   44    46   -51    47   0.40400  1.0 3.0
   45    44    46    33   0.00000  1.0 1.0
   45    44    46    47   0.00000  1.0 1.0
   45    44    46    51   0.00000  1.0 1.0
   46    33    38    39   0.00000  1.0 1.0
   46    33   -38    40   0.09850  1.0 1.0
   46    33   -38    40   0.15250 -1.0 2.0
   46    33   -38    40  -0.50650  1.0 3.0
   46    47    49    50   0.15000  1.0 3.0
   46    47    49    52  -0.95700  1.0 1.0
   46    47    49    52  -0.18200 -1.0 2.0
   46    47    49    52   0.29450  1.0 3.0
   46    47    49    54  -0.26800  1.0 1.0
   46    47    49    54   0.69150 -1.0 2.0
   46    47    49    54  -0.48750  1.0 3.0
   47    49    52    53   0.30150 -1.0 2.0
   47    49    52    55   0.05850 -1.0 2.0
   47    49    52    55   0.17250  1.0 3.0
   47    49    54    65  -0.32850  1.0 1.0
   47    49    54    65  -0.35800 -1.0 2.0
   47    49    54    65   0.33950  1.0 3.0
   48    47    49    50   0.15000  1.0 3.0
   48    47    49    52  -0.11250  1.0 3.0
   48    47    49    54   0.23400  1.0 3.0
   48    47   -51    46   0.36800  1.0 3.0
   49    47   -51    46   0.06250  1.0 1.0
   49    47   -51    46  -0.01100 -1.0 2.0
   49    47   -51    46   0.28050  1.0 3.0
   49    52    55    56   2.26350  1.0 1.0
   49    52    55    56   0.76750 -1.0 2.0
   49    52    55    56   0.22500  1.0 3.0
   49    52   -55    65   2.26350  1.0 1.0
   49    52   -55    65   0.76750 -1.0 2.0
   49    52   -55    65   0.22500  1.0 3.0
   50    49    52    53   0.00000  1.0 1.0
   50    49    52    55   0.00000  1.0 1.0
   50    49    54    65   0.08050  1.0 3.0
   52    49   -54    65  -0.25600  1.0 1.0
   52    49   -54    65  -0.40050 -1.0 2.0
   52    49   -54    65   0.34700  1.0 3.0
   52    55    56    57   3.62500 -1.0 2.0
   52    55    56    58   3.62500 -1.0 2.0
   52    55    65    61   3.62500 -1.0 2.0
   52    55   -65    54   3.62500 -1.0 2.0
   53    52    55    56   1.05000 -1.0 2.0
   53    52    55    65   1.05000 -1.0 2.0
   55    56    58    59   3.62500 -1.0 2.0
   55    56    58    60   3.62500 -1.0 2.0
   55    65   -54    49   1.63200 -1.0 2.0
   56    55    65    61   3.62500 -1.0 2.0
   56    55    65    54   3.62500 -1.0 2.0
   56    58   -60    61   3.62500 -1.0 2.0
   56    58    60    63   3.62500 -1.0 2.0
   57    56    58    59   3.62500 -1.0 2.0
   57    56    58    60   3.62500 -1.0 2.0
   58    60    61    62   3.62500 -1.0 2.0
   58    60    61    65   3.62500 -1.0 2.0
   58    60    63    64   0.84100 -1.0 2.0
   59    58    60    61   3.62500 -1.0 2.0
   59    58    60    63   3.62500 -1.0 2.0
   60    61   -65    55   3.62500 -1.0 2.0
   60    61    65    54   3.62500 -1.0 2.0
   61    60    63    64   0.84100 -1.0 2.0
   61    65    54    49   1.63200 -1.0 2.0
   62    61    65    55   3.62500 -1.0 2.0
   62    61    65    54   3.62500 -1.0 2.0
   65    55    56    57   3.62500 -1.0 2.0
   65    55   -56    58   3.62500 -1.0 2.0
   54    49    52    53   0.30150 -1.0 2.0
   54    49   -52    55   0.65300  1.0 1.0
   54    49   -52    55  -0.03850 -1.0 2.0
   54    49   -52    55   0.33900  1.0 3.0
   63    60    61    62   3.62500 -1.0 2.0
   63    60    61    65   3.62500 -1.0 2.0
   51    46   -47    48   0.23400  1.0 3.0
   51    46   -47    49   0.02550  1.0 1.0
   51    46   -47    49  -0.02600 -1.0 2.0
   51    46   -47    49   1.20400  1.0 3.0
   51    47    49    50   0.23400  1.0 3.0
   51    47    49    52  -0.09450  1.0 1.0
   51    47    49    52  -1.12950 -1.0 2.0
   51    47    49    52   0.54000  1.0 3.0
   51    47    49    54   1.11900  1.0 1.0
   51    47    49    54  -1.16350 -1.0 2.0
   51    47    49    54  -0.34150  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
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   40    43    42    44   1.10000 -1.0 2.0
   46    45    44    42   1.10000 -1.0 2.0
   49    55    52    53  10.50000 -1.0 2.0
   56    65    55    52   4.00000 -1.0 2.0
   58    57    56    55   1.10000 -1.0 2.0
   60    59    58    56   1.10000 -1.0 2.0
   61    63    60    58   4.00000 -1.0 2.0
   65    62    61    60   1.10000 -1.0 2.0
   61    54    65    55   4.00000 -1.0 2.0
END
