* LIGAND DATABASE FILE (OPLS2005)
*
001      76    77    137    209     392
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02045   105.80213    -1.68818
    3     1 S   H    _H1_     3     1.02097    48.61221    99.55684
    4     1 S   H    _H2_     4     1.02098    63.81019  -105.07484
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04724   118.98282     8.58904
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08448   106.40438   -11.12153
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08733   110.25787    59.12705
   26    24 S   HC   HB22    34     1.08755   109.66015   178.75008
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C13    36     1.80580    98.15735  -158.19208
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C4_    37     1.51780   109.39669   179.98022
   38    33 S   S    _S25    64     1.81773   110.28903   -53.62661
   39    37 S   N4   _N14    38     1.36840   108.19676   -96.19762
   40    37 S   CMA  _C8_    60     1.34017   128.61891    87.97682
   41    40 S   OM   _O16    61     1.26711   126.38904   179.98022
   42    38 S   CM   _C7_    65     1.73765    98.96332   176.34709
   43    42 S   HC   _H28    66     1.08575   117.29736    30.04221
   44    39 S   C4   _C5_    39     1.35605   130.40479  -126.37387
   45    44 S   O    _O17    40     1.20888   133.53291   -42.90146
   46    39 S   C4T  _C12    43     1.46371   113.22953    -2.72088
   47    46 S   HC   _H32    44     1.09753   111.36058   104.02373
   48    40 S   OH   _O21    62     1.40895   111.81598     0.00000
   49    48 S   HO   _H41    63     0.97435   105.56971  -180.00000
   50    42 S   CM   _C6_    67     1.33662   121.98949  -149.98498
   51    50 S   HC   _H27    68     1.08395   122.93801    -0.00000
   52    44 S   C4T  _C11    41     1.55119    90.11597   131.38838
   53    52 S   HC   _H31    42     1.09743   111.83283   111.70581
   54    33 S   CT   _C10    45     1.55297   111.14716    68.36253
   55    54 S   HC   _H29    46     1.09564   113.40572   -36.35119
   56    54 S   HC   _H30    47     1.09846   111.01156  -156.94867
   57    50 S   N    _N15    69     1.36175   122.52209  -180.00000
   58    57 S   H    _H40    70     1.01747   118.14140     0.05935
   59    52 S   CT   _C16    48     1.50997   114.72961  -120.35715
   60    59 S   HC   _H39    49     1.09898   110.07134    40.00670
   61    57 S   C    _C9_    71     1.38711   123.72521   179.92867
   62    61 S   O    _O18    72     1.22938   126.04137     0.09691
   63    59 S   CT   _C15    50     1.52571   112.31322   -81.62937
   64    63 S   HC   _H36    51     1.09501   111.06974   -57.79484
   65    63 S   HC   _H37    52     1.09547   110.70577  -178.55301
   66    63 S   HC   _H38    53     1.09489   110.87751    63.15584
   67    59 S   OS   _O23    54     1.42876   109.70395   157.46437
   68    61 S   CT   _C14    73     1.50695   112.45471  -178.54209
   69    68 S   HC   _H33    74     1.09301   109.43520    90.00978
   70    68 S   HC   _H34    75     1.09313   109.16914   -29.71313
   71    68 S   HC   _H35    76     1.09391   111.05803  -150.35954
   72    67 S   SY   _S26    55     1.63066   119.54846  -159.95570
   73    72 S   OY   _O19    56     1.45142   107.31339   -80.07925
   74    72 S   OY   _O20    57     1.45077   109.11928    51.64278
   75    72 S   OS   _O22    58     1.63241   103.61760   166.40491
   76    75 S   HO   _H42    59     0.98509   115.68573  -175.59140
  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  10   5   4   3
  16   2   1   1  15  11  13   6   2   7   3  10   4  10   6   1
   1   6   3  12   5   3   1   1   7   3  10   6   5   4   5   3
   2   1   5   3   2   1   1   4   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    54    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    39    46    54    55    56    40    38    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    39    44    52    46    47    54    55    56    40    41    48    38    42    43    50  
   35    36  
   36  
    0  
   39    44    45    52    46    47    54    55    56    40    41    48    49    38    42  
   42    43    50    51    57    39    40    46    54    55    56  
   44    45    52    53    46    47    54    55    56    59    40    41    48  
   41    48    49    44    46    54  
   48    49  
   43    50    51    57    58    61    54  
   50    51    57  
   45    52    53    46    47    54    59    60    63    67  
   52    53    46    59  
   47    54    55    56    59    60    63    67    52    53  
   54    55    56    59    52    53  
   49  
    0  
   51    57    58    61    62    68  
   57    58    61  
   53    54    55    56    59    60    63    64    65    66    67    72  
   54    59    60    63    67  
   55    56    59  
   56  
    0  
   58    61    62    68    69    70    71  
   61    62    68  
   60    63    64    65    66    67    72    73    74    75  
   63    64    65    66    67    72  
   62    68    69    70    71  
   68    69    70    71  
   64    65    66    67    72  
   65    66    67  
   66    67  
   67  
   72    73    74    75    76  
   69    70    71  
   70    71  
   71  
    0  
   73    74    75    76  
   74    75    76  
   75    76  
   76  
    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   0.335000   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   3.5500   0.0760  -0.549900   2.0020   1.7750   0.023028004  -0.852763146
   38   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   39   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5500   0.0760  -0.107500   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.665000   1.9250   1.7000   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   46   3.5000   0.0660   0.003700   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   3.0700   0.1700  -0.840200   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5500   0.0760  -0.063700   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.154800   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.061200   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.2500   0.1700  -0.351300   1.8100   1.6000   0.054801302  -1.445846770
   58   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   59   3.5000   0.0660   0.169900   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.9000   0.1400  -0.280900   1.5900   1.4000   0.020110767  -0.896042159
   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   3.5500   0.2500   1.247600   2.0025   1.7750   0.025682759  -1.666211680
   73   2.9600   0.1700  -0.514000   1.6780   1.4800   0.001000000  -0.126889456
   74   2.9600   0.1700  -0.514000   1.6780   1.4800   0.001000000  -0.126889456
   75   2.9000   0.1400  -0.541600   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.431800   0.9960   0.8600   0.030040813  -0.651083722
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   317.000  1.510
   33    54   268.000  1.529
   33    38   222.000  1.810
   37    39   400.000  1.384
   37    40   465.000  1.376
   39    44   440.000  1.369
   39    46   305.000  1.456
   44    45   930.000  1.212
   44    52   250.000  1.540
   52    53   340.000  1.090
   52    46   268.000  1.529
   52    59   260.000  1.519
   46    47   340.000  1.090
   46    54   260.000  1.519
   54    55   340.000  1.090
   54    56   340.000  1.090
   59    60   340.000  1.090
   59    63   268.000  1.529
   59    67   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   67    72   335.000  1.682
   72    73   735.000  1.471
   72    74   735.000  1.471
   72    75   335.000  1.682
   75    76   553.000  0.945
   40    41   745.000  1.250
   40    48   510.000  1.338
   48    49   553.000  0.945
   38    42   240.000  1.763
   42    43   340.000  1.080
   42    50   549.000  1.340
   50    51   340.000  1.080
   50    57   400.000  1.384
   57    58   434.000  1.010
   57    61   490.000  1.335
   61    62   570.000  1.229
   61    68   317.000  1.522
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   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  112.20000
   29    33    54    75.00000  111.63000
   29    33    38    75.00000  118.28000
   33    37    39    70.00000  113.82800
   33    37    40    70.00000  124.00000
   33    54    46    70.00000  112.98000
   33    54    55    37.50000  110.70000
   33    54    56    37.50000  110.70000
   33    38    42    85.00000  102.41200
   37    39    44    50.00000  132.10000
   37    39    46    50.00000  132.70000
   37    40    41    65.00000  137.10300
   37    40    48    80.00000  121.38400
   39    44    45    75.00000  131.60000
   39    44    52    95.00000   92.72400
   39    46    52   105.00000   87.49700
   39    46    47    50.00000  112.01000
   39    46    54    80.00000  110.05700
   44    52    53    40.00000  113.37500
   44    52    46   100.00000   86.36000
   44    52    59    63.00000  111.10000
   52    44    45    60.00000  136.58000
   52    46    47    37.50000  110.70000
   52    46    54    65.00000  119.52000
   52    59    60    45.00000  111.22300
   52    59    63    70.00000  112.98000
   52    59    67    50.00000  109.50000
   46    39    44   100.00000   93.00000
   46    52    53    37.50000  110.70000
   46    54    55    45.00000  111.22300
   46    54    56    45.00000  111.22300
   54    33    37    70.00000  112.02700
   54    46    47    45.00000  112.72800
   56    54    55    33.00000  107.80000
   59    52    53    45.00000  112.72800
   59    52    46    65.00000  119.52000
   59    63    64    37.50000  110.70000
   59    63    65    37.50000  110.70000
   59    63    66    37.50000  110.70000
   59    67    72   100.00000  113.05000
   63    59    60    37.50000  110.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   67    59    60    35.00000  109.50000
   67    59    63    50.00000  109.50000
   67    72    73   135.00000  106.70400
   67    72    74   135.00000  106.70400
   67    72    75   135.00000  103.05200
   72    75    76    65.00000  110.03400
   74    72    73   115.00000  120.17200
   75    72    73   135.00000  106.70400
   75    72    74   135.00000  106.70400
   40    37    39    75.00000  120.83300
   40    48    49    70.00000  107.45700
   48    40    41   115.00000  116.36000
   38    33    37    75.00000  112.20000
   38    33    54    75.00000  111.63000
   38    42    43    40.00000  115.49800
   38    42    50    65.00000  122.11800
   42    50    51    35.00000  120.00000
   42    50    57    75.00000  120.83300
   50    42    43    35.00000  120.00000
   50    57    58    45.00000  117.55000
   50    57    61    70.00000  120.89900
   57    50    51    45.00000  111.09300
   57    61    62    80.00000  122.90000
   57    61    68    70.00000  116.60000
   61    57    58    35.00000  119.80000
   61    68    69    35.00000  109.50000
   61    68    70    35.00000  109.50000
   61    68    71    35.00000  109.50000
   68    61    62    80.00000  120.40000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   0.21350  1.0 3.0
   24    29    33    38   0.08500  1.0 1.0
   24    29    33    38  -0.53150 -1.0 2.0
   24    29    33    38   0.48050  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    39   0.09700  1.0 1.0
   29    33    37    39   0.15600 -1.0 2.0
   29    33    37    39  -0.50800  1.0 3.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    54    46   0.44750  1.0 1.0
   29    33    54    46  -0.17800 -1.0 2.0
   29    33    54    46   0.20200  1.0 3.0
   29    33    54    55   0.15000  1.0 3.0
   29    33    54    56   0.15000  1.0 3.0
   29    33    38    42   0.08500  1.0 1.0
   29    33    38    42  -0.53150 -1.0 2.0
   29    33    38    42   0.48050  1.0 3.0
   33    37    39    44   0.00000  1.0 1.0
   33    37   -39    46   0.00000  1.0 1.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37    40    48   7.00000 -1.0 2.0
   33    38    42    43   1.00000 -1.0 2.0
   33    38    42    50   1.00000 -1.0 2.0
   37    33   -54    46   0.34400  1.0 1.0
   37    33   -54    46   0.09450 -1.0 2.0
   37    33   -54    46   0.11100  1.0 3.0
   37    33    54    55   0.15000  1.0 3.0
   37    33    54    56   0.15000  1.0 3.0
   37    33    38    42   0.00000  1.0 1.0
   37    39    44    45   3.00000 -1.0 2.0
   37    39    44    52   3.00000 -1.0 2.0
   37    39   -46    52   0.00000  1.0 1.0
   37    39    46    47   0.00000  1.0 1.0
   37    39   -46    54   0.00000  1.0 1.0
   37    40    48    49  -0.66100  1.0 1.0
   37    40    48    49   1.20850 -1.0 2.0
   37    40    48    49  -0.36000  1.0 3.0
   39    37    40    41   7.00000 -1.0 2.0
   39    37    40    48   7.00000 -1.0 2.0
   39    44    52    53   0.00000  1.0 1.0
   39    44   -52    46   3.00000 -1.0 2.0
   39    44    52    59   1.39750  1.0 1.0
   39    44    52    59  -0.07950 -1.0 2.0
   39    44    52    59  -0.18750  1.0 3.0
   39    46   -54    33   0.43900  1.0 1.0
   39    46   -54    33   0.49100 -1.0 2.0
   39    46   -54    33   0.28400  1.0 3.0
   39    46    54    55   0.15000  1.0 3.0
   39    46    54    56   0.15000  1.0 3.0
   44    39   -46    52   0.00000  1.0 1.0
   44    39    46    47   0.00000  1.0 1.0
   44    39    46    54   0.00000  1.0 1.0
   44    52   -46    39   3.00000 -1.0 2.0
   44    52   -46    47   0.15000  1.0 3.0
   44    52   -46    54  -0.95700  1.0 1.0
   44    52   -46    54  -0.18200 -1.0 2.0
   44    52   -46    54   0.29450  1.0 3.0
   44    52    59    60  -0.11250  1.0 3.0
   44    52    59    63  -0.95700  1.0 1.0
   44    52    59    63  -0.18200 -1.0 2.0
   44    52    59    63   0.29450  1.0 3.0
   44    52    59    67  -0.09450  1.0 1.0
   44    52    59    67  -1.12950 -1.0 2.0
   44    52    59    67   0.54000  1.0 3.0
   45    44    52    53   0.00000  1.0 1.0
   45    44    52    46  -0.11250  1.0 1.0
   45    44    52    46   0.11400 -1.0 2.0
   45    44    52    46  -0.28950  1.0 3.0
   45    44    52    59   0.30150 -1.0 2.0
   52    46    54    33   0.04050  1.0 1.0
   52    46    54    33   0.63700 -1.0 2.0
   52    46    54    33   0.17650  1.0 3.0
   52    46    54    55   0.00000  1.0 1.0
   52    46    54    56   0.00000  1.0 1.0
   52    59    63    64   0.15000  1.0 3.0
   52    59    63    65   0.15000  1.0 3.0
   52    59    63    66   0.15000  1.0 3.0
   52    59    67    72   0.37500  1.0 3.0
   53    52   -46    39   0.15000  1.0 3.0
   53    52    46    47   0.15000  1.0 3.0
   53    52    46    54   0.15000  1.0 3.0
   53    52    59    60   0.15000  1.0 3.0
   53    52    59    63   0.15000  1.0 3.0
   53    52    59    67   0.23400  1.0 3.0
   46    39   -44    45   3.00000 -1.0 2.0
   46    39   -44    52   3.00000 -1.0 2.0
   46    52    59    60   0.00000  1.0 1.0
   46    52    59    63   0.04050  1.0 1.0
   46    52    59    63   0.63700 -1.0 2.0
   46    52    59    63   0.17650  1.0 3.0
   46    52    59    67   0.62750  1.0 1.0
   46    52    59    67  -0.30950 -1.0 2.0
   46    52    59    67   0.27300  1.0 3.0
   47    46    54    33   0.15000  1.0 3.0
   47    46    54    55   0.15000  1.0 3.0
   47    46    54    56   0.15000  1.0 3.0
   54    33   -37    39  -0.93550  1.0 1.0
   54    33   -37    39   0.38900 -1.0 2.0
   54    33   -37    39   0.16950  1.0 3.0
   54    33    37    40   0.09850  1.0 1.0
   54    33    37    40   0.15250 -1.0 2.0
   54    33    37    40  -0.50650  1.0 3.0
   54    33    38    42   0.00000  1.0 1.0
   59    52   -46    39   0.43900  1.0 1.0
   59    52   -46    39   0.49100 -1.0 2.0
   59    52   -46    39   0.28400  1.0 3.0
   59    52    46    47   0.15000  1.0 3.0
   59    52    46    54   0.56750  1.0 1.0
   59    52    46    54  -0.07550 -1.0 2.0
   59    52    46    54   0.20000  1.0 3.0
   59    67    72    73   0.29800  1.0 3.0
   59    67    72    74   0.29800  1.0 3.0
   59    67    72    75   0.00000  1.0 1.0
   60    59    63    64   0.15000  1.0 3.0
   60    59    63    65   0.15000  1.0 3.0
   60    59    63    66   0.15000  1.0 3.0
   60    59    67    72   0.00000  1.0 1.0
   63    59    67    72   0.37500  1.0 3.0
   67    59    63    64   0.23400  1.0 3.0
   67    59    63    65   0.23400  1.0 3.0
   67    59    63    66   0.23400  1.0 3.0
   67    72    75    76   0.00000  1.0 1.0
   73    72    75    76   0.67600  1.0 1.0
   73    72    75    76   0.52900 -1.0 2.0
   73    72    75    76   0.12800  1.0 3.0
   74    72    75    76   0.67600  1.0 1.0
   74    72    75    76   0.52900 -1.0 2.0
   74    72    75    76   0.12800  1.0 3.0
   40    37    39    44   0.00000  1.0 1.0
   40    37    39    46   0.00000  1.0 1.0
   41    40    48    49   2.00000 -1.0 2.0
   38    33    37    39   0.09700  1.0 1.0
   38    33    37    39   0.15600 -1.0 2.0
   38    33    37    39  -0.50800  1.0 3.0
   38    33    37    40   0.42700  1.0 1.0
   38    33    37    40  -0.70350 -1.0 2.0
   38    33    37    40  -0.43150  1.0 3.0
   38    33    54    46   0.44750  1.0 1.0
   38    33    54    46  -0.17800 -1.0 2.0
   38    33    54    46   0.20200  1.0 3.0
   38    33    54    55   0.15000  1.0 3.0
   38    33    54    56   0.15000  1.0 3.0
   38    42    50    51   7.00000 -1.0 2.0
   38    42    50    57   7.00000 -1.0 2.0
   42    50    57    58   0.78350 -1.0 2.0
   42    50    57    61  -0.18900  1.0 1.0
   42    50    57    61   1.70900 -1.0 2.0
   43    42    50    51   7.00000 -1.0 2.0
   43    42    50    57   7.00000 -1.0 2.0
   50    57    61    62   2.67200 -1.0 2.0
   50    57    61    68   0.67100  1.0 1.0
   50    57    61    68   1.42150 -1.0 2.0
   50    57    61    68   0.18700  1.0 3.0
   51    50    57    58   0.00000  1.0 1.0
   51    50    57    61   1.44600  1.0 1.0
   57    61    68    69   0.00000  1.0 1.0
   57    61    68    70   0.00000  1.0 1.0
   57    61    68    71   0.00000  1.0 1.0
   58    57    61    62   2.45000 -1.0 2.0
   58    57    61    68   2.45000 -1.0 2.0
   62    61    68    69   0.00000  1.0 1.0
   62    61    68    70   0.00000  1.0 1.0
   62    61    68    71   0.00000  1.0 1.0
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
   36    30    34    35  10.50000 -1.0 2.0
   33    39    37    40   1.10000 -1.0 2.0
   46    44    39    37   1.00000 -1.0 2.0
   39    52    44    45  10.50000 -1.0 2.0
   41    48    40    37   1.10000 -1.0 2.0
   38    43    42    50  15.00000 -1.0 2.0
   57    51    50    42  15.00000 -1.0 2.0
   58    61    57    50   1.00000 -1.0 2.0
   57    68    61    62  10.50000 -1.0 2.0
END
