* LIGAND DATABASE FILE (OPLS2005)
*
001      72    72    118    182     350
    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   _C18    36     1.80553    98.13928   159.97876
   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   _C10    37     1.52915   108.60205   179.96574
   38    37 S   HC   _H29    38     1.09447   113.94691    -0.47601
   39    33 S   CM   _C11    60     1.52025   109.06202    53.71989
   40    39 S   HC   _H30    61     1.09129   114.80489  -118.51994
   41    33 S   C    _C16    69     1.53903   107.45287   -63.91452
   42    41 S   O    _O19    70     1.22659   124.84416   123.21539
   43    37 S   CMA  _C12    39     1.36069   128.49089   177.34856
   44    43 S   OM   _O16    40     1.26482   130.56452   179.19765
   45    39 S   CM   _C14    62     1.34889   127.64426    62.35613
   46    41 S   OH   _O24    71     1.36140   113.61480   -53.98259
   47    46 S   HO   _H38    72     0.98176   114.48266   177.35780
   48    43 S   CA   _C7_    41     1.49454   110.32772     0.00000
   49    45 S   C    _C15    63     1.48385   118.12704    -0.00000
   50    49 S   O    _O18    64     1.22093   125.87511    60.02934
   51    45 S   OH   _O22    67     1.37825   124.33447  -179.59218
   52    51 S   HO   _H36    68     0.96329   109.96167    -0.03956
   53    48 S   CA   _C4_    42     1.39550   118.91388    89.97864
   54    53 S   HA   _H27    43     1.08892   120.27247     0.14265
   55    49 S   OH   _O23    65     1.35390   110.07625  -119.97157
   56    55 S   HO   _H37    66     0.98098   111.98090   179.96574
   57    53 S   CA   _C6_    44     1.39442   120.03102   179.97202
   58    57 S   CA   _C5_    45     1.39564   119.99821     0.07662
   59    58 S   HA   _H28    46     1.08784   120.24036  -179.98022
   60    57 S   C    _C13    56     1.45404   120.06912  -179.87805
   61    60 S   O    _O17    57     1.23550   125.41419  -179.92087
   62    58 S   CA   _C8_    47     1.39479   119.99194    -0.05595
   63    60 S   OH   _O21    58     1.36098   112.48253    -0.06561
   64    63 S   HO   _H35    59     0.98077   113.14536  -179.94766
   65    48 S   CA   _C9_    48     1.39466   121.11512   -89.96290
   66    62 S   OS   _O25    51     1.36189   119.40482  -180.00000
   67    65 S   OH   _O20    49     1.36510   120.64768    -0.06853
   68    67 S   HO   _H34    50     0.96949   110.01959     0.05595
   69    66 S   CT   _C17    52     1.42650   117.00541    -0.00000
   70    69 S   HC   _H31    53     1.09208   109.53012   179.97202
   71    69 S   HC   _H32    54     1.09318   109.48995    59.18183
   72    69 S   HC   _H33    55     1.09283   108.98864   -60.33911
  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
  14   2   1   1  12   5  11   4   5   2   8   3   6   1   1  10
   5   3   2   1  10   4   1   1   9   9   4   4   2   8   1   1
   4   5   1   1   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    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    39    40    45    41    42    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    48    39    40    45    49    51    41    42    46    47  
   35    36  
   36  
    0  
   38    43    44    48    53    65    39    40    45    41    42    46  
   43    44    48    39    41  
   40    45    49    50    55    51    52    41    42    46    43  
   45    49    51    41  
   42    46    47    43    45  
   46    47  
   44    48    53    54    57    62    65    67  
   48    53    65  
   49    50    55    56    51    52  
   47  
    0  
   53    54    57    58    62    65    67    68    66    60  
   50    55    56    51    52  
   55    56    51  
   52    55  
    0  
   54    57    58    59    62    65    67    60    61    63  
   57    58    65    60  
   56  
    0  
   58    59    62    65    66    60    61    63    64  
   59    62    65    67    66    69    60    61    63  
   62    65    66    60  
   61    63    64    62  
   63    64  
   65    67    68    66    69    70    71    72  
   64  
    0  
   67    68    66    69  
   69    70    71    72    67  
   68  
    0  
   70    71    72  
   71    72  
   72  
    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   0.167500   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  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   43   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   46   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   51   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   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   3.7500   0.1050   0.635000   2.1120   1.8750   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   62   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   64   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   66   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.030000   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    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    39   317.000  1.510
   33    41   317.000  1.522
   37    38   340.000  1.080
   37    43   465.000  1.376
   43    44   745.000  1.250
   43    48   320.000  1.460
   48    53   469.000  1.400
   48    65   469.000  1.400
   53    54   367.000  1.080
   53    57   469.000  1.400
   57    58   469.000  1.400
   57    60   400.000  1.490
   58    59   367.000  1.080
   58    62   469.000  1.400
   62    65   469.000  1.400
   62    66   450.000  1.364
   65    67   450.000  1.364
   67    68   553.000  0.945
   66    69   320.000  1.410
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   60    61   570.000  1.229
   60    63   450.000  1.364
   63    64   553.000  0.945
   39    40   340.000  1.080
   39    45   549.000  1.340
   45    49   410.000  1.444
   45    51   510.000  1.338
   49    50   570.000  1.229
   49    55   450.000  1.364
   55    56   553.000  0.945
   51    52   553.000  0.945
   41    42   570.000  1.229
   41    46   450.000  1.364
   46    47   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    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    39    75.00000  112.20000
   29    33    41    70.00000  112.33000
   33    37    38    35.00000  117.00000
   33    37    43    70.00000  124.00000
   33    39    40    35.00000  117.00000
   33    39    45    70.00000  124.00000
   33    41    42    80.00000  120.40000
   33    41    46    70.00000  108.00000
   37    43    44    65.00000  137.10300
   37    43    48    60.00000  123.20500
   43    37    38    40.00000  120.50800
   43    48    53    60.00000  120.93500
   43    48    65    60.00000  120.93500
   48    43    44    85.00000  114.86500
   48    53    54    35.00000  120.00000
   48    53    57    63.00000  120.00000
   48    65    62    63.00000  120.00000
   48    65    67    70.00000  120.00000
   53    57    58    63.00000  120.00000
   53    57    60    85.00000  120.00000
   57    53    54    35.00000  120.00000
   57    58    59    35.00000  120.00000
   57    58    62    63.00000  120.00000
   57    60    61    80.00000  120.40000
   57    60    63    85.00000  111.88000
   58    62    65    63.00000  120.00000
   58    62    66    70.00000  120.00000
   62    58    59    35.00000  120.00000
   62    65    67    70.00000  120.00000
   62    66    69    75.00000  111.00000
   65    48    53    63.00000  120.00000
   65    67    68    35.00000  113.00000
   66    62    65    70.00000  120.00000
   66    69    70    35.00000  109.50000
   66    69    71    35.00000  109.50000
   66    69    72    35.00000  109.50000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   60    57    58    85.00000  120.00000
   60    63    64    35.00000  113.00000
   63    60    61   100.00000  123.32000
   39    33    37    70.00000  110.12100
   39    45    49    70.00000  118.70000
   39    45    51    80.00000  121.38400
   45    39    40    35.00000  120.00000
   45    49    50    80.00000  125.30000
   45    49    55    90.00000  111.55000
   45    51    52    70.00000  107.45700
   49    55    56    35.00000  113.00000
   55    49    50   100.00000  123.32000
   51    45    49    80.00000  119.00000
   41    33    37    70.00000  115.00700
   41    33    39    70.00000  115.00700
   41    46    47    35.00000  113.00000
   46    41    42   100.00000  123.32000
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    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    43   0.42700  1.0 1.0
   29    33    37    43  -0.70350 -1.0 2.0
   29    33    37    43  -0.43150  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    45   0.42700  1.0 1.0
   29    33    39    45  -0.70350 -1.0 2.0
   29    33    39    45  -0.43150  1.0 3.0
   29    33    41    42   0.30150 -1.0 2.0
   29    33    41    46   0.40000  1.0 3.0
   33    37    43    44   7.00000 -1.0 2.0
   33    37    43    48   7.00000 -1.0 2.0
   33    39    45    49   7.00000 -1.0 2.0
   33    39    45    51   7.00000 -1.0 2.0
   33    41    46    47   1.50000  1.0 1.0
   33    41    46    47   2.45000 -1.0 2.0
   37    33    39    40   0.00000  1.0 1.0
   37    33    39    45  -0.28300  1.0 1.0
   37    33    39    45   0.26700 -1.0 2.0
   37    33    39    45  -0.63300  1.0 3.0
   37    33    41    42   0.30150 -1.0 2.0
   37    33    41    46   0.40000  1.0 3.0
   37    43    48    53   0.15800  1.0 1.0
   37    43    48    53   1.85350 -1.0 2.0
   37    43    48    53  -0.48700  1.0 3.0
   37    43    48    65   0.15800  1.0 1.0
   37    43    48    65   1.85350 -1.0 2.0
   37    43    48    65  -0.48700  1.0 3.0
   38    37    43    44   7.00000 -1.0 2.0
   38    37    43    48   7.00000 -1.0 2.0
   43    48    53    54   3.62500 -1.0 2.0
   43    48    53    57   3.62500 -1.0 2.0
   43    48    65    62   3.62500 -1.0 2.0
   43    48    65    67   3.62500 -1.0 2.0
   44    43    48    53  -0.01750  1.0 1.0
   44    43    48    53  -0.32000 -1.0 2.0
   44    43    48    53   0.00600  1.0 3.0
   44    43    48    65  -0.01750  1.0 1.0
   44    43    48    65  -0.32000 -1.0 2.0
   44    43    48    65   0.00600  1.0 3.0
   48    53    57    58   3.62500 -1.0 2.0
   48    53    57    60   3.62500 -1.0 2.0
   48    65    67    68   0.84100 -1.0 2.0
   53    48    65    62   3.62500 -1.0 2.0
   53    48    65    67   3.62500 -1.0 2.0
   53    57    58    59   3.62500 -1.0 2.0
   53    57   -58    62   3.62500 -1.0 2.0
   53    57    60    61   1.05000 -1.0 2.0
   53    57    60    63   0.36000 -1.0 2.0
   54    53    57    58   3.62500 -1.0 2.0
   54    53    57    60   3.62500 -1.0 2.0
   57    58    62    65   3.62500 -1.0 2.0
   57    58    62    66   3.62500 -1.0 2.0
   57    60    63    64   2.25750  1.0 1.0
   57    60    63    64  -1.92700 -1.0 2.0
   58    57    60    61   1.05000 -1.0 2.0
   58    57    60    63   0.36000 -1.0 2.0
   58    62   -65    48   3.62500 -1.0 2.0
   58    62    65    67   3.62500 -1.0 2.0
   58    62    66    69   1.63200 -1.0 2.0
   59    58    62    65   3.62500 -1.0 2.0
   59    58    62    66   3.62500 -1.0 2.0
   62    65    67    68   0.84100 -1.0 2.0
   62    66    69    70   0.08050  1.0 3.0
   62    66    69    71   0.08050  1.0 3.0
   62    66    69    72   0.08050  1.0 3.0
   65    48    53    54   3.62500 -1.0 2.0
   65    48   -53    57   3.62500 -1.0 2.0
   65    62    66    69   1.63200 -1.0 2.0
   66    62    65    48   3.62500 -1.0 2.0
   66    62    65    67   3.62500 -1.0 2.0
   60    57    58    59   3.62500 -1.0 2.0
   60    57    58    62   3.62500 -1.0 2.0
   61    60    63    64   0.92200  1.0 1.0
   61    60    63    64   3.74100 -1.0 2.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    43  -0.28300  1.0 1.0
   39    33    37    43   0.26700 -1.0 2.0
   39    33    37    43  -0.63300  1.0 3.0
   39    33    41    42   0.30150 -1.0 2.0
   39    33    41    46   0.40000  1.0 3.0
   39    45    49    50   1.00000 -1.0 2.0
   39    45    49    55  -0.01000  1.0 1.0
   39    45    49    55   1.29850 -1.0 2.0
   39    45    49    55  -0.09550  1.0 3.0
   39    45    51    52  -0.66100  1.0 1.0
   39    45    51    52   1.20850 -1.0 2.0
   39    45    51    52  -0.36000  1.0 3.0
   40    39    45    49   7.00000 -1.0 2.0
   40    39    45    51   7.00000 -1.0 2.0
   45    49    55    56   1.22000  1.0 1.0
   45    49    55    56   0.17300 -1.0 2.0
   49    45    51    52   2.00000 -1.0 2.0
   50    49    55    56   0.92200  1.0 1.0
   50    49    55    56   3.74100 -1.0 2.0
   51    45    49    50  -0.11900  1.0 1.0
   51    45    49    50   0.76850 -1.0 2.0
   51    45    49    50   0.14100  1.0 3.0
   51    45    49    55   1.50000 -1.0 2.0
   41    33    37    38   0.00000  1.0 1.0
   41    33    37    43  -0.51250  1.0 1.0
   41    33    37    43  -0.88800 -1.0 2.0
   41    33    37    43   0.08850  1.0 3.0
   41    33    39    40   0.00000  1.0 1.0
   41    33    39    45  -0.51250  1.0 1.0
   41    33    39    45  -0.88800 -1.0 2.0
   41    33    39    45   0.08850  1.0 3.0
   42    41    46    47   0.92200  1.0 1.0
   42    41    46    47   3.74100 -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
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    43  15.00000 -1.0 2.0
   48    44    43    37  15.00000 -1.0 2.0
   53    65    48    43   4.00000 -1.0 2.0
   57    54    53    48   1.10000 -1.0 2.0
   58    60    57    53   4.00000 -1.0 2.0
   62    59    58    57   1.10000 -1.0 2.0
   65    66    62    58   4.00000 -1.0 2.0
   62    67    65    48   4.00000 -1.0 2.0
   57    63    60    61  10.50000 -1.0 2.0
   33    40    39    45  15.00000 -1.0 2.0
   49    51    45    39  15.00000 -1.0 2.0
   45    55    49    50  10.50000 -1.0 2.0
   33    46    41    42  10.50000 -1.0 2.0
END
