* LIGAND DATABASE FILE (OPLS2005)
*
001      74    76    144    230     430
    1     0 S   NP   _N1_     1    29.09984    92.79961   -22.34913
    2     1 S   H    _HN1     2     1.02965    94.51149    29.12415
    3     1 S   H    _H1_     3     1.02828    19.14737   161.06644
    4     1 S   H    _H2_     4     1.02773    99.32629   -80.31201
    5     1 S   CT   _CA1     5     1.50148   129.63008   150.29894
    6     5 S   HC   _HA1     6     1.09580   105.19693    62.90457
    7     5 S   CO3  _C1_     7     1.53782   112.43532   -57.14789
    8     7 S   O2Z  _O11     8     1.26352   115.01694   -41.79018
    9     7 S   O2Z  _O12     9     1.26254   114.91696   137.27841
   10     5 S   CT   _CB1    10     1.53077   107.36465  -179.29640
   11    10 S   HC   HB11    11     1.09821   109.17994   -51.37271
   12    10 S   HC   HB12    12     1.09823   110.42514    65.09431
   13    10 S   CT   _CG1    13     1.53011   112.79329  -172.59350
   14    13 S   HC   HG11    14     1.09596   110.30176   -64.87775
   15    13 S   HC   HG12    15     1.09642   110.12545    54.37178
   16    13 S   C    _CD1    16     1.51792   112.25684   174.50759
   17    16 S   O    _OE1    17     1.22742   123.23256    -7.69927
   18    16 S   N    _N2_    18     1.38684   111.74225   172.98166
   19    18 S   H    _HN2    19     1.01582   119.12568     1.32781
   20    18 S   CT1  _CA2    20     1.46059   123.18322  -179.07085
   21    20 S   HC   _HA2    21     1.09577   109.23463    -7.37624
   22    20 S   C    _C2_    22     1.53454   108.95942  -122.58878
   23    22 S   O    _O2_    23     1.23042   122.04305  -148.42506
   24    20 S   CT   _CB2    32     1.53454   111.79466   114.83433
   25    24 S   HC   HB21    33     1.09659   109.54885    64.26753
   26    24 S   HC   HB22    34     1.09576   110.80941  -178.50695
   27    22 S   N    _N3_    24     1.38454   113.56397    39.13065
   28    27 S   H    _HN3    25     1.01512   118.93234    -0.78783
   29    24 S   S    _SG2    35     1.82862   114.89051   -55.45060
   30    27 S   CT   _CA3    26     1.45446   123.46801   174.87126
   31    30 S   HC   HA31    27     1.09522   109.25601    24.23151
   32    30 S   HC   HA32    28     1.09496   107.12654   141.25268
   33    29 S   CT   _C18    36     1.82521    99.99087   -66.89368
   34    33 S   HC   _H3_    37     1.09418   107.55652   -59.86144
   35    33 S   HC   _H4_    38     1.09326   109.35850    57.93562
   36    30 S   CO3  _C3_    29     1.52925   113.07036   -99.24521
   37    36 S   O2Z  _O31    30     1.26406   115.39632   -44.62852
   38    36 S   O2Z  _O32    31     1.26352   114.98825   136.27960
   39    33 S   CT   _C11    39     1.52645   110.73260   179.39091
   40    39 S   HC   _H28    40     1.09711   112.30908    44.22543
   41    39 S   CO4  _C6_    41     1.52437   113.62389   -79.84288
   42    41 S   O    _O16    42     1.22054   126.72196    41.23444
   43    41 S   OS   _O17    43     1.37836   109.47086  -139.10121
   44    43 S   CT   _C13    44     1.42953   108.12026    -8.92971
   45    44 S   HC   _H30    45     1.09737   106.93509   -83.63429
   46    44 S   CT   _C10    46     1.54003   115.86346   152.87978
   47    46 S   HC   _H27    47     1.10205   106.15866   -57.12797
   48    39 S   CT   _C12    63     1.52182   112.11221   169.33967
   49    48 S   HC   _H29    64     1.10247   107.79945    45.22985
   50    46 S   CM   _C5_    48     1.52635   117.44848    58.47662
   51    50 S   CM   _C4_    49     1.34737   120.62496   153.90594
   52    51 S   HC   _H20    50     1.08756   119.71983   178.85653
   53    50 S   CT   _C16    71     1.50178   119.38115   -29.46181
   54    53 S   HC   _H32    72     1.09446   110.45690   -56.62947
   55    53 S   HC   _H33    73     1.09565   112.14289  -175.96158
   56    53 S   HC   _H34    74     1.09432   110.65434    64.58514
   57    51 S   CT   _C7_    51     1.50046   124.60926    -1.39128
   58    57 S   HC   _H21    52     1.09705   109.23319   127.61503
   59    57 S   HC   _H22    53     1.09747   108.59518  -117.91774
   60    57 S   CT   _C14    54     1.53545   114.39127     5.48237
   61    60 S   HC   _H31    55     1.09812   108.88205    84.62675
   62    46 S   CT   _C15    56     1.57994   108.89492  -173.52413
   63    60 S   OH   _O18    69     1.42598   109.17942  -159.05916
   64    63 S   HO   _H40    70     0.97252   107.55675   -57.09644
   65    62 S   CT   _C9_    57     1.55961   110.28514    54.41853
   66    65 S   HC   _H25    58     1.09700   110.58209  -174.97999
   67    65 S   HC   _H26    59     1.09838   108.99964    68.59367
   68    62 S   CT   _C17    65     1.55674   112.53530   -65.40828
   69    68 S   HC   _H35    66     1.09362   112.80515   -57.64439
   70    68 S   HC   _H36    67     1.09609   110.87055  -177.77930
   71    68 S   HC   _H37    68     1.09325   112.53322    62.86913
   72    65 S   CT   _C8_    60     1.53772   113.69784   -52.21412
   73    72 S   HC   _H23    61     1.09572   109.16884   173.65016
   74    72 S   HC   _H24    62     1.09526   110.72304   -69.31452
  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   7   5   4   3
  11   5   4   2   1   1  13   7   8   3   9  15   7  23   8   9
   4  13  12   5   5   2   1   1   9   5   4  12   5  12   3   1
   9   5   4   4   2   1   1   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    41    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    72    48    49  
   35    39    40    41    48  
   39    40    41    48  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    65    72    73    74    48    49  
   41    42    43    44    72    48    49  
   42    43    44    45    46    72    48    49  
   43    44    48  
   44    45    46    47    50    62    72    48    49  
   45    46    47    50    51    60    62    65    72    73    74    48    49    68    53  
   46    47    50    62    72    48    49  
   47    50    51    52    57    60    61    62    65    66    67    72    48    49    68    69    70    71    63    53    54    55    56  
   50    51    60    62    65    48    68    53  
   49    50    62    65    66    67    72    73    74  
   65    72    73    74  
   51    52    57    58    59    60    62    65    68    53    54    55    56  
   52    57    58    59    60    61    62    63    53    54    55    56  
   57    58    59    60    53  
   54    55    56    57    62  
   55    56  
   56  
    0  
   58    59    60    61    62    65    68    63    64  
   59    60    61    62    63  
   60    61    62    63  
   61    62    65    66    67    72    68    69    70    71    63    64  
   62    65    68    63    64  
   65    66    67    72    73    74    68    69    70    71    63    64  
   64    65    68  
    0  
   66    67    72    73    74    68    69    70    71  
   67    72    73    74    68  
   72    73    74    68  
   69    70    71    72  
   70    71  
   71  
    0  
   73    74  
   74  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   63   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    48   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    48   268.000  1.529
   46    47   340.000  1.090
   46    50   317.000  1.510
   46    62   268.000  1.529
   50    51   549.000  1.340
   50    53   317.000  1.510
   51    52   340.000  1.080
   51    57   317.000  1.510
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   268.000  1.529
   60    61   340.000  1.090
   60    62   268.000  1.529
   60    63   320.000  1.410
   62    65   268.000  1.529
   62    68   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    48   268.000  1.529
   48    49   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   63    64   553.000  0.945
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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    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    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    48    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    48    44    58.35000  112.70000
   39    48    72    58.35000  112.70000
   39    48    49    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    50.00000  109.50000
   43    44    48    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    50    70.00000  112.02700
   44    46    62    58.35000  112.70000
   44    48    72    58.35000  112.70000
   44    48    49    37.50000  110.70000
   46    44    45    37.50000  110.70000
   46    50    51    70.00000  124.00000
   46    50    53    65.00000  117.92700
   46    62    60    58.35000  112.70000
   46    62    65    58.35000  112.70000
   46    62    68    58.35000  112.70000
   50    46    47    35.00000  109.50000
   50    51    52    35.00000  120.00000
   50    51    57    70.00000  124.00000
   50    53    54    35.00000  109.50000
   50    53    55    35.00000  109.50000
   50    53    56    35.00000  109.50000
   51    57    58    35.00000  109.50000
   51    57    59    35.00000  109.50000
   51    57    60    70.00000  112.02700
   57    51    52    35.00000  117.00000
   57    60    61    37.50000  110.70000
   57    60    62    58.35000  112.70000
   57    60    63    50.00000  109.50000
   59    57    58    33.00000  107.80000
   60    57    58    37.50000  110.70000
   60    57    59    37.50000  110.70000
   60    62    65    58.35000  112.70000
   60    62    68    58.35000  112.70000
   60    63    64    55.00000  108.50000
   62    46    47    37.50000  110.70000
   62    46    50    70.00000  112.02700
   62    60    61    37.50000  110.70000
   62    65    66    37.50000  110.70000
   62    65    67    37.50000  110.70000
   62    65    72    58.35000  112.70000
   62    68    69    37.50000  110.70000
   62    68    70    37.50000  110.70000
   62    68    71    37.50000  110.70000
   65    72    73    37.50000  110.70000
   65    72    74    37.50000  110.70000
   65    72    48    58.35000  112.70000
   67    65    66    33.00000  107.80000
   72    65    66    37.50000  110.70000
   72    65    67    37.50000  110.70000
   72    48    49    37.50000  110.70000
   74    72    73    33.00000  107.80000
   48    39    40    37.50000  110.70000
   48    39    41    63.00000  111.10000
   48    44    45    37.50000  110.70000
   48    44    46    58.35000  112.70000
   48    72    73    37.50000  110.70000
   48    72    74    37.50000  110.70000
   68    62    65    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   63    60    61    35.00000  109.50000
   63    60    62    50.00000  109.50000
   53    50    51    70.00000  124.00000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    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    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   0.32350  1.0 3.0
   24    29    33    35   0.32350  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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    48   0.44750  1.0 1.0
   29    33    39    48  -0.17800 -1.0 2.0
   29    33    39    48   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    48    44   0.56750  1.0 1.0
   33    39    48    44  -0.07550 -1.0 2.0
   33    39    48    44   0.20000  1.0 3.0
   33    39    48    72   0.56750  1.0 1.0
   33    39    48    72  -0.07550 -1.0 2.0
   33    39    48    72   0.20000  1.0 3.0
   33    39    48    49   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    48   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    48   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    48    44   0.15000  1.0 3.0
   40    39    48    72   0.15000  1.0 3.0
   40    39    48    49   0.15000  1.0 3.0
   41    39   -48    44  -0.95700  1.0 1.0
   41    39   -48    44  -0.18200 -1.0 2.0
   41    39   -48    44   0.29450  1.0 3.0
   41    39    48    72  -0.95700  1.0 1.0
   41    39    48    72  -0.18200 -1.0 2.0
   41    39    48    72   0.29450  1.0 3.0
   41    39    48    49  -0.11250  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43    44    46  -0.25900  1.0 1.0
   41    43    44    46  -0.47000 -1.0 2.0
   41    43    44    46   0.11750  1.0 3.0
   41    43   -44    48  -0.25900  1.0 1.0
   41    43   -44    48  -0.47000 -1.0 2.0
   41    43   -44    48   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44    46    47   0.23400  1.0 3.0
   43    44    46    50   0.61850  1.0 1.0
   43    44    46    50  -0.22750 -1.0 2.0
   43    44    46    50   0.15300  1.0 3.0
   43    44    46    62   0.62750  1.0 1.0
   43    44    46    62  -0.30950 -1.0 2.0
   43    44    46    62   0.27300  1.0 3.0
   43    44   -48    39   0.62750  1.0 1.0
   43    44   -48    39  -0.30950 -1.0 2.0
   43    44   -48    39   0.27300  1.0 3.0
   43    44    48    72   0.62750  1.0 1.0
   43    44    48    72  -0.30950 -1.0 2.0
   43    44    48    72   0.27300  1.0 3.0
   43    44    48    49   0.23400  1.0 3.0
   44    46    50    51   0.09850  1.0 1.0
   44    46    50    51   0.15250 -1.0 2.0
   44    46    50    51  -0.50650  1.0 3.0
   44    46    50    53   0.46850  1.0 1.0
   44    46    50    53   0.08550 -1.0 2.0
   44    46    50    53   0.09800  1.0 3.0
   44    46    62    60   0.56750  1.0 1.0
   44    46    62    60  -0.07550 -1.0 2.0
   44    46    62    60   0.20000  1.0 3.0
   44    46    62    65   0.56750  1.0 1.0
   44    46    62    65  -0.07550 -1.0 2.0
   44    46    62    65   0.20000  1.0 3.0
   44    46    62    68   0.56750  1.0 1.0
   44    46    62    68  -0.07550 -1.0 2.0
   44    46    62    68   0.20000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    50   0.15000  1.0 3.0
   45    44    46    62   0.15000  1.0 3.0
   45    44    48    39   0.15000  1.0 3.0
   45    44    48    72   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   46    44    48    39   0.56750  1.0 1.0
   46    44    48    39  -0.07550 -1.0 2.0
   46    44    48    39   0.20000  1.0 3.0
   46    44    48    72   0.56750  1.0 1.0
   46    44    48    72  -0.07550 -1.0 2.0
   46    44    48    72   0.20000  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    50    51    52   7.00000 -1.0 2.0
   46    50    51    57   7.00000 -1.0 2.0
   46    50    53    54   0.34800  1.0 3.0
   46    50    53    55   0.34800  1.0 3.0
   46    50    53    56   0.34800  1.0 3.0
   46    62    65    66   0.15000  1.0 3.0
   46    62    65    67   0.15000  1.0 3.0
   46    62   -65    72   0.56750  1.0 1.0
   46    62   -65    72  -0.07550 -1.0 2.0
   46    62   -65    72   0.20000  1.0 3.0
   46    62    68    69   0.15000  1.0 3.0
   46    62    68    70   0.15000  1.0 3.0
   46    62    68    71   0.15000  1.0 3.0
   47    46    50    51   0.00000  1.0 1.0
   47    46    50    53   0.34800  1.0 3.0
   47    46    62    60   0.15000  1.0 3.0
   47    46    62    65   0.15000  1.0 3.0
   47    46    62    68   0.15000  1.0 3.0
   50    46    62    60   0.34400  1.0 1.0
   50    46    62    60   0.09450 -1.0 2.0
   50    46    62    60   0.11100  1.0 3.0
   50    46    62    65   0.34400  1.0 1.0
   50    46    62    65   0.09450 -1.0 2.0
   50    46    62    65   0.11100  1.0 3.0
   50    46    62    68   0.34400  1.0 1.0
   50    46    62    68   0.09450 -1.0 2.0
   50    46    62    68   0.11100  1.0 3.0
   50    51    57    58   0.00000  1.0 1.0
   50    51    57    59   0.00000  1.0 1.0
   50    51   -57    60   0.09850  1.0 1.0
   50    51   -57    60   0.15250 -1.0 2.0
   50    51   -57    60  -0.50650  1.0 3.0
   51    50    53    54   0.00000  1.0 1.0
   51    50    53    55   0.00000  1.0 1.0
   51    50    53    56   0.00000  1.0 1.0
   51    57    60    61   0.15000  1.0 3.0
   51    57    60    62   0.34400  1.0 1.0
   51    57    60    62   0.09450 -1.0 2.0
   51    57    60    62   0.11100  1.0 3.0
   51    57    60    63   1.05650  1.0 1.0
   51    57    60    63   0.15600 -1.0 2.0
   51    57    60    63   0.53150  1.0 3.0
   52    51    57    58   0.33100  1.0 3.0
   52    51    57    59   0.33100  1.0 3.0
   52    51    57    60   0.00000  1.0 1.0
   57    60   -62    46   0.56750  1.0 1.0
   57    60   -62    46  -0.07550 -1.0 2.0
   57    60   -62    46   0.20000  1.0 3.0
   57    60    62    65   0.56750  1.0 1.0
   57    60    62    65  -0.07550 -1.0 2.0
   57    60    62    65   0.20000  1.0 3.0
   57    60    62    68   0.56750  1.0 1.0
   57    60    62    68  -0.07550 -1.0 2.0
   57    60    62    68   0.20000  1.0 3.0
   57    60    63    64  -0.11600  1.0 1.0
   57    60    63    64  -0.09450 -1.0 2.0
   57    60    63    64   0.21250  1.0 3.0
   58    57    60    61   0.15000  1.0 3.0
   58    57    60    62   0.15000  1.0 3.0
   58    57    60    63   0.23400  1.0 3.0
   59    57    60    61   0.15000  1.0 3.0
   59    57    60    62   0.15000  1.0 3.0
   59    57    60    63   0.23400  1.0 3.0
   60    62    65    66   0.15000  1.0 3.0
   60    62    65    67   0.15000  1.0 3.0
   60    62    65    72   0.56750  1.0 1.0
   60    62    65    72  -0.07550 -1.0 2.0
   60    62    65    72   0.20000  1.0 3.0
   60    62    68    69   0.15000  1.0 3.0
   60    62    68    70   0.15000  1.0 3.0
   60    62    68    71   0.15000  1.0 3.0
   61    60    62    46   0.15000  1.0 3.0
   61    60    62    65   0.15000  1.0 3.0
   61    60    62    68   0.15000  1.0 3.0
   61    60    63    64   0.19450  1.0 3.0
   62    46   -50    51   0.09850  1.0 1.0
   62    46   -50    51   0.15250 -1.0 2.0
   62    46   -50    51  -0.50650  1.0 3.0
   62    46    50    53   0.46850  1.0 1.0
   62    46    50    53   0.08550 -1.0 2.0
   62    46    50    53   0.09800  1.0 3.0
   62    60    63    64  -0.11600  1.0 1.0
   62    60    63    64  -0.09450 -1.0 2.0
   62    60    63    64   0.21250  1.0 3.0
   62    65    72    73   0.15000  1.0 3.0
   62    65    72    74   0.15000  1.0 3.0
   62    65    72    48   0.56750  1.0 1.0
   62    65    72    48  -0.07550 -1.0 2.0
   62    65    72    48   0.20000  1.0 3.0
   65    62    68    69   0.15000  1.0 3.0
   65    62    68    70   0.15000  1.0 3.0
   65    62    68    71   0.15000  1.0 3.0
   65    72    48    39   0.56750  1.0 1.0
   65    72    48    39  -0.07550 -1.0 2.0
   65    72    48    39   0.20000  1.0 3.0
   65    72   -48    44   0.56750  1.0 1.0
   65    72   -48    44  -0.07550 -1.0 2.0
   65    72   -48    44   0.20000  1.0 3.0
   65    72    48    49   0.15000  1.0 3.0
   66    65    72    73   0.15000  1.0 3.0
   66    65    72    74   0.15000  1.0 3.0
   66    65    72    48   0.15000  1.0 3.0
   67    65    72    73   0.15000  1.0 3.0
   67    65    72    74   0.15000  1.0 3.0
   67    65    72    48   0.15000  1.0 3.0
   73    72    48    39   0.15000  1.0 3.0
   73    72    48    44   0.15000  1.0 3.0
   73    72    48    49   0.15000  1.0 3.0
   74    72    48    39   0.15000  1.0 3.0
   74    72    48    44   0.15000  1.0 3.0
   74    72    48    49   0.15000  1.0 3.0
   48    39    41    42   0.30150 -1.0 2.0
   48    39   -41    43   0.36750  1.0 3.0
   48    44    46    47   0.15000  1.0 3.0
   48    44    46    50   0.34400  1.0 1.0
   48    44    46    50   0.09450 -1.0 2.0
   48    44    46    50   0.11100  1.0 3.0
   48    44   -46    62   0.56750  1.0 1.0
   48    44   -46    62  -0.07550 -1.0 2.0
   48    44   -46    62   0.20000  1.0 3.0
   68    62    65    66   0.15000  1.0 3.0
   68    62    65    67   0.15000  1.0 3.0
   68    62    65    72   0.56750  1.0 1.0
   68    62    65    72  -0.07550 -1.0 2.0
   68    62    65    72   0.20000  1.0 3.0
   63    60    62    46   0.86500  1.0 1.0
   63    60    62    46  -0.17500 -1.0 2.0
   63    60    62    46   0.20800  1.0 3.0
   63    60    62    65   0.86500  1.0 1.0
   63    60    62    65  -0.17500 -1.0 2.0
   63    60    62    65   0.20800  1.0 3.0
   63    60    62    68   0.86500  1.0 1.0
   63    60    62    68  -0.17500 -1.0 2.0
   63    60    62    68   0.20800  1.0 3.0
   53    50    51    52   7.00000 -1.0 2.0
   53    50    51    57   7.00000 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   38    30    36    37  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   46    53    50    51   1.10000 -1.0 2.0
   57    52    51    50   1.10000 -1.0 2.0
END
