* LIGAND DATABASE FILE (OPLS2005)
*
001      78    78    136    211     409
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02042   100.69312   -47.37081
    3     1 S   H    _H1_     3     1.02052    76.73623    59.49766
    4     1 S   H    _H2_     4     1.02118    38.16110  -154.02871
    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     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   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     1.08610   110.54789    58.81774
   26    24 S   HC   HB22    34     1.08575   109.89770   179.12800
   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   _C8_    36     1.83125    97.86996   161.85576
   34    33 S   HC   _H3_    37     1.09805   105.73960   -42.19459
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C4_    38     1.51150   110.02402  -159.99735
   39    38 S   OS   _O19    39     1.38706   118.09496  -101.54987
   40    38 S   CMA  _C5_    75     1.33998   122.57230    85.29274
   41    40 S   OM   _O17    76     1.26741   126.39077  -179.96044
   42    39 S   CT   _C11    40     1.43122   113.62389    33.14455
   43    42 S   HC   _H28    41     1.09968   108.51156    59.20940
   44    40 S   OH   _O20    77     1.40933   111.82972     0.06853
   45    44 S   HO   _H41    78     0.97299   105.61226   180.00000
   46    42 S   CT   _C10    42     1.54016   111.63390   -63.56017
   47    46 S   HC   _H27    43     1.09674   109.64356   -87.42183
   48    42 S   CT   _C14    62     1.52711   107.19225   174.26325
   49    48 S   HC   _H34    63     1.09432   108.51059  -177.68404
   50    33 S   CT   _C9_    44     1.53886   111.57686    75.84801
   51    50 S   HC   _H26    45     1.09781   109.96713   -48.61381
   52    46 S   N    _N15    54     1.44843   109.85413   158.07448
   53    52 S   H    _H39    55     1.01333   118.50225   -32.41179
   54    48 S   CT   _C15    64     1.53275   112.81414   -55.51187
   55    54 S   HC   _H35    65     1.09558   110.56846    59.97801
   56    48 S   OH   _O22    73     1.42529   107.75835    66.76169
   57    56 S   HO   _H43    74     0.96927   106.58526   179.92087
   58    50 S   NE   _N16    46     1.45868   108.34305  -163.87561
   59    58 S   H    _H40    47     1.01060   114.93388   -92.04293
   60    52 S   C    _C6_    56     1.37943   122.98524   147.62872
   61    60 S   O    _O18    57     1.22500   126.60208    -0.02798
   62    54 S   CT   _C13    66     1.52686   114.34508  -175.29997
   63    62 S   HC   _H32    67     1.09314   111.75178    59.94810
   64    62 S   HC   _H33    68     1.09462   111.42284   -63.00223
   65    54 S   OH   _O23    71     1.43253   107.96878   -56.19845
   66    65 S   HO   _H44    72     0.96743   106.16645   176.39891
   67    58 S   CDX  _C7_    48     1.37099   126.51926    87.85194
   68    60 S   CT   _C12    58     1.49256   113.87257   179.92338
   69    68 S   HC   _H29    59     1.10141   112.47395    89.97396
   70    68 S   HC   _H30    60     1.10174   112.46388  -151.35186
   71    68 S   HC   _H31    61     1.10201   115.32081   -30.67209
   72    62 S   OH   _O21    69     1.42527   108.75297   178.64390
   73    72 S   HO   _H42    70     0.96946   106.57297   179.95577
   74    67 S   NI   _N13    49     1.30686   120.72903     0.03956
   75    74 S   H    _H36    50     1.02577   108.56132    -0.03426
   76    67 S   NE   _N14    51     1.37157   117.49582   180.00000
   77    76 S   H    _H37    52     1.01378   122.33022  -179.88131
   78    76 S   H    _H38    53     1.01403   121.01897    -0.02798
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  15   7   2   1   1  12  13   5   2  17   8   1   1  15   7  13
   6   9   4   8   3  10   7   3   1   7   3   5   4   6   4   3
   2   1   5   3   2   1   1   1   1   4   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    46    50    51    58    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    46    47    50    51    58    59    67    52    40    41    44  
   38    39    46    50    51    58    40  
   36    37  
   37  
    0  
   39    42    43    46    50    51    58    48    40    41    44    45  
   42    43    46    47    50    52    48    49    54    56    40    41    44  
   41    44    45    42    50  
   44    45  
   43    46    47    50    51    58    52    53    60    48    49    54    55    62    65    56    57  
   46    47    50    52    48    49    54    56  
   45  
    0  
   47    50    51    58    59    67    52    53    60    61    68    48    49    54    56  
   50    51    58    52    53    60    48  
   49    54    55    62    63    64    72    65    66    56    57    50    52  
   54    55    62    65    56    57  
   51    58    59    67    74    76    52    53    60  
   58    59    67    52  
   53    60    61    68    69    70    71    58  
   60    61    68  
   55    62    63    64    72    73    65    66    56    57  
   62    63    64    72    65    66    56  
   57    62    65  
    0  
   59    67    74    75    76    77    78  
   67    74    76  
   61    68    69    70    71  
   68    69    70    71  
   63    64    72    73    65    66  
   64    72    73    65  
   72    73    65  
   66    72  
    0  
   74    75    76    77    78  
   69    70    71  
   70    71  
   71  
    0  
   73  
    0  
   75    76    77    78  
   76  
   77    78  
   78  
    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   0.177500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.516200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.8500   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   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   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   44   3.0700   0.1700  -0.840200   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660   0.019000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   53   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   54   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.2500   0.1700  -0.604000   2.1120   1.8750   0.051222218  -2.220205820
   59   0.5000   0.0300   0.410000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   62   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.7500   0.1050   0.399000   2.1120   1.8750   0.001000000  -0.126889456
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.2800   0.1700  -0.785000   1.9250   1.7000   0.054801302  -2.445846770
   75   0.5000   0.0300   0.426000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.2500   0.1700  -0.785000   2.1120   1.8750   0.051222218  -2.220205820
   77   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   78   0.5000   0.0300   0.360000   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    50   268.000  1.529
   38    39   440.000  1.360
   38    40   465.000  1.376
   39    42   320.000  1.410
   42    43   340.000  1.090
   42    46   268.000  1.529
   42    48   268.000  1.529
   46    47   340.000  1.090
   46    50   268.000  1.529
   46    52   337.000  1.449
   50    51   340.000  1.090
   50    58   382.000  1.448
   58    59   434.000  1.010
   58    67   445.000  1.380
   67    74   650.000  1.285
   67    76   445.000  1.380
   74    75   434.000  1.010
   76    77   434.000  1.010
   76    78   434.000  1.010
   52    53   434.000  1.010
   52    60   490.000  1.335
   60    61   570.000  1.229
   60    68   317.000  1.522
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   48    49   340.000  1.090
   48    54   268.000  1.529
   48    56   320.000  1.410
   54    55   340.000  1.090
   54    62   268.000  1.529
   54    65   320.000  1.410
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    72   320.000  1.410
   72    73   553.000  0.945
   65    66   553.000  0.945
   56    57   553.000  0.945
   40    41   745.000  1.250
   40    44   510.000  1.338
   44    45   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    50    75.00000  111.63000
   33    38    39    85.00000  112.85300
   33    38    40    70.00000  124.00000
   33    50    46    58.35000  112.70000
   33    50    51    37.50000  110.70000
   33    50    58    80.00000  111.61500
   38    33    34    35.00000  109.50000
   38    39    42    90.00000  111.18400
   38    40    41    65.00000  137.10300
   38    40    44    80.00000  121.38400
   39    42    43    35.00000  109.50000
   39    42    46    50.00000  109.50000
   39    42    48    50.00000  109.50000
   42    46    47    37.50000  110.70000
   42    46    50    58.35000  112.70000
   42    46    52    70.00000  110.72300
   42    48    49    37.50000  110.70000
   42    48    54    58.35000  112.70000
   42    48    56    50.00000  109.50000
   46    42    43    37.50000  110.70000
   46    50    51    37.50000  110.70000
   46    50    58    80.00000  111.61500
   46    52    53    38.00000  118.40000
   46    52    60    50.00000  121.90000
   50    33    34    37.50000  110.70000
   50    33    38    70.00000  112.02700
   50    46    47    37.50000  110.70000
   50    58    59    35.00000  112.50000
   50    58    67    50.00000  119.50000
   58    50    51    35.00000  109.50000
   58    67    74    75.00000  124.36500
   58    67    76    85.00000  116.27000
   67    58    59    35.00000  119.50000
   67    74    75    55.00000  110.29700
   67    76    77    35.00000  119.50000
   67    76    78    35.00000  119.50000
   76    67    74    75.00000  124.36500
   78    76    77    35.00000  109.00000
   52    46    47    35.00000  109.50000
   52    46    50    70.00000  110.72300
   52    60    61    80.00000  122.90000
   52    60    68    70.00000  116.60000
   60    52    53    35.00000  119.80000
   60    68    69    35.00000  109.50000
   60    68    70    35.00000  109.50000
   60    68    71    35.00000  109.50000
   68    60    61    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
   48    42    43    37.50000  110.70000
   48    42    46    58.35000  112.70000
   48    54    55    37.50000  110.70000
   48    54    62    58.35000  112.70000
   48    54    65    50.00000  109.50000
   48    56    57    55.00000  108.50000
   54    48    49    37.50000  110.70000
   54    62    63    37.50000  110.70000
   54    62    64    37.50000  110.70000
   54    62    72    50.00000  109.50000
   54    65    66    55.00000  108.50000
   62    54    55    37.50000  110.70000
   62    72    73    55.00000  108.50000
   64    62    63    33.00000  107.80000
   72    62    63    35.00000  109.50000
   72    62    64    35.00000  109.50000
   65    54    55    35.00000  109.50000
   65    54    62    50.00000  109.50000
   56    48    49    35.00000  109.50000
   56    48    54    50.00000  109.50000
   40    38    39    80.00000  120.01400
   40    44    45    70.00000  107.45700
   44    40    41   115.00000  116.36000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.09700  1.0 1.0
   29    33    38    39   0.15600 -1.0 2.0
   29    33    38    39  -0.50800  1.0 3.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    50    46   0.44750  1.0 1.0
   29    33    50    46  -0.17800 -1.0 2.0
   29    33    50    46   0.20200  1.0 3.0
   29    33    50    51   0.15000  1.0 3.0
   29    33    50    58   0.56750  1.0 1.0
   29    33    50    58  -0.07550 -1.0 2.0
   29    33    50    58   0.20000  1.0 3.0
   33    38    39    42   2.00000 -1.0 2.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    44   7.00000 -1.0 2.0
   33    50    58    59   0.00000  1.0 1.0
   33    50    58    67   0.38950  1.0 1.0
   33    50    58    67  -0.47050 -1.0 2.0
   33    50    58    67   0.83150  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    50    46   0.15000  1.0 3.0
   34    33    50    51   0.15000  1.0 3.0
   34    33    50    58   0.22950  1.0 3.0
   38    33    50    46   0.34400  1.0 1.0
   38    33    50    46   0.09450 -1.0 2.0
   38    33    50    46   0.11100  1.0 3.0
   38    33    50    51   0.15000  1.0 3.0
   38    33    50    58   0.21700  1.0 1.0
   38    33    50    58   0.68550 -1.0 2.0
   38    33    50    58  -0.27950  1.0 3.0
   38    39    42    43   0.08050  1.0 3.0
   38    39   -42    46  -0.46850  1.0 1.0
   38    39   -42    46   0.09300 -1.0 2.0
   38    39   -42    46  -0.12850  1.0 3.0
   38    39    42    48  -0.46850  1.0 1.0
   38    39    42    48   0.09300 -1.0 2.0
   38    39    42    48  -0.12850  1.0 3.0
   38    40    44    45  -0.66100  1.0 1.0
   38    40    44    45   1.20850 -1.0 2.0
   38    40    44    45  -0.36000  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    44   7.00000 -1.0 2.0
   39    42    46    47   0.23400  1.0 3.0
   39    42    46    50   0.62750  1.0 1.0
   39    42    46    50  -0.30950 -1.0 2.0
   39    42    46    50   0.27300  1.0 3.0
   39    42    46    52   1.12100  1.0 1.0
   39    42    46    52  -0.16500 -1.0 2.0
   39    42    48    49   0.23400  1.0 3.0
   39    42    48    54   0.62750  1.0 1.0
   39    42    48    54  -0.30950 -1.0 2.0
   39    42    48    54   0.27300  1.0 3.0
   39    42    48    56   3.69350  1.0 1.0
   39    42    48    56  -1.82950 -1.0 2.0
   42    46   -50    33   0.56750  1.0 1.0
   42    46   -50    33  -0.07550 -1.0 2.0
   42    46   -50    33   0.20000  1.0 3.0
   42    46    50    51   0.15000  1.0 3.0
   42    46    50    58   0.86200  1.0 1.0
   42    46    50    58   0.12850 -1.0 2.0
   42    46    50    58   0.15950  1.0 3.0
   42    46    52    53   0.00000  1.0 1.0
   42    46    52    60  -0.43950  1.0 1.0
   42    46    52    60  -0.08100 -1.0 2.0
   42    46    52    60   0.03350  1.0 3.0
   42    48    54    55   0.15000  1.0 3.0
   42    48    54    62   0.56750  1.0 1.0
   42    48    54    62  -0.07550 -1.0 2.0
   42    48    54    62   0.20000  1.0 3.0
   42    48    54    65   0.86500  1.0 1.0
   42    48    54    65  -0.17500 -1.0 2.0
   42    48    54    65   0.20800  1.0 3.0
   42    48    56    57  -0.11600  1.0 1.0
   42    48    56    57  -0.09450 -1.0 2.0
   42    48    56    57   0.21250  1.0 3.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    50   0.15000  1.0 3.0
   43    42    46    52   0.15000  1.0 3.0
   43    42    48    49   0.15000  1.0 3.0
   43    42    48    54   0.15000  1.0 3.0
   43    42    48    56   0.23400  1.0 3.0
   46    42    48    49   0.15000  1.0 3.0
   46    42    48    54   0.56750  1.0 1.0
   46    42    48    54  -0.07550 -1.0 2.0
   46    42    48    54   0.20000  1.0 3.0
   46    42    48    56   0.86500  1.0 1.0
   46    42    48    56  -0.17500 -1.0 2.0
   46    42    48    56   0.20800  1.0 3.0
   46    50    58    59   0.00000  1.0 1.0
   46    50    58    67   0.38950  1.0 1.0
   46    50    58    67  -0.47050 -1.0 2.0
   46    50    58    67   0.83150  1.0 3.0
   46    52    60    61   3.04450 -1.0 2.0
   46    52    60    68   1.49850  1.0 1.0
   46    52    60    68   1.53950 -1.0 2.0
   47    46    50    33   0.15000  1.0 3.0
   47    46    50    51   0.15000  1.0 3.0
   47    46    50    58   0.22950  1.0 3.0
   47    46    52    53   0.00000  1.0 1.0
   47    46    52    60   0.00000  1.0 1.0
   50    33   -38    39   0.09700  1.0 1.0
   50    33   -38    39   0.15600 -1.0 2.0
   50    33   -38    39  -0.50800  1.0 3.0
   50    33    38    40   0.09850  1.0 1.0
   50    33    38    40   0.15250 -1.0 2.0
   50    33    38    40  -0.50650  1.0 3.0
   50    46    52    53   0.00000  1.0 1.0
   50    46    52    60  -0.43950  1.0 1.0
   50    46    52    60  -0.08100 -1.0 2.0
   50    46    52    60   0.03350  1.0 3.0
   50    58    67    74  -0.86000  1.0 1.0
   50    58    67    74   0.84650 -1.0 2.0
   50    58    67    76   1.17450  1.0 1.0
   50    58    67    76   0.83550 -1.0 2.0
   51    50    58    59   0.00000  1.0 1.0
   51    50    58    67   0.00000  1.0 1.0
   58    67    74    75  -1.91600  1.0 1.0
   58    67    74    75   8.35800 -1.0 2.0
   58    67    76    77   1.00000 -1.0 2.0
   58    67    76    78   1.00000 -1.0 2.0
   59    58    67    74   1.50000 -1.0 2.0
   59    58    67    76   1.00000 -1.0 2.0
   74    67    76    77   1.50000 -1.0 2.0
   74    67    76    78   1.50000 -1.0 2.0
   76    67    74    75  -1.91600  1.0 1.0
   76    67    74    75   8.35800 -1.0 2.0
   52    46    50    33  -0.27100  1.0 1.0
   52    46    50    33  -0.01700 -1.0 2.0
   52    46    50    33  -0.48600  1.0 3.0
   52    46    50    51   0.15000  1.0 3.0
   52    46    50    58   2.20050  1.0 1.0
   52    46    50    58   0.63450 -1.0 2.0
   52    46    50    58  -0.91300  1.0 3.0
   52    60    68    69   0.00000  1.0 1.0
   52    60    68    70   0.00000  1.0 1.0
   52    60    68    71   0.00000  1.0 1.0
   53    52    60    61   2.45000 -1.0 2.0
   53    52    60    68   2.45000 -1.0 2.0
   61    60    68    69   0.00000  1.0 1.0
   61    60    68    70   0.00000  1.0 1.0
   61    60    68    71   0.00000  1.0 1.0
   48    42    46    47   0.15000  1.0 3.0
   48    42    46    50   0.56750  1.0 1.0
   48    42    46    50  -0.07550 -1.0 2.0
   48    42    46    50   0.20000  1.0 3.0
   48    42    46    52   0.43900  1.0 1.0
   48    42    46    52   0.49100 -1.0 2.0
   48    42    46    52   0.28400  1.0 3.0
   48    54    62    63   0.15000  1.0 3.0
   48    54    62    64   0.15000  1.0 3.0
   48    54    62    72   0.86500  1.0 1.0
   48    54    62    72  -0.17500 -1.0 2.0
   48    54    62    72   0.20800  1.0 3.0
   48    54    65    66  -0.11600  1.0 1.0
   48    54    65    66  -0.09450 -1.0 2.0
   48    54    65    66   0.21250  1.0 3.0
   49    48    54    55   0.15000  1.0 3.0
   49    48    54    62   0.15000  1.0 3.0
   49    48    54    65   0.23400  1.0 3.0
   49    48    56    57   0.19450  1.0 3.0
   54    48    56    57  -0.11600  1.0 1.0
   54    48    56    57  -0.09450 -1.0 2.0
   54    48    56    57   0.21250  1.0 3.0
   54    62    72    73  -0.11600  1.0 1.0
   54    62    72    73  -0.09450 -1.0 2.0
   54    62    72    73   0.21250  1.0 3.0
   55    54    62    63   0.15000  1.0 3.0
   55    54    62    64   0.15000  1.0 3.0
   55    54    62    72   0.23400  1.0 3.0
   55    54    65    66   0.19450  1.0 3.0
   62    54    65    66  -0.11600  1.0 1.0
   62    54    65    66  -0.09450 -1.0 2.0
   62    54    65    66   0.21250  1.0 3.0
   63    62    72    73   0.19450  1.0 3.0
   64    62    72    73   0.19450  1.0 3.0
   65    54    62    63   0.23400  1.0 3.0
   65    54    62    64   0.23400  1.0 3.0
   65    54    62    72   3.75450  1.0 1.0
   56    48    54    55   0.23400  1.0 3.0
   56    48    54    62   0.86500  1.0 1.0
   56    48    54    62  -0.17500 -1.0 2.0
   56    48    54    62   0.20800  1.0 3.0
   56    48    54    65   3.75450  1.0 1.0
   40    38    39    42  -2.26850  1.0 1.0
   40    38    39    42   3.39050 -1.0 2.0
   41    40    44    45   2.00000 -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
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   59    67    58    50   1.00000 -1.0 2.0
   58    76    67    74  10.50000 -1.0 2.0
   78    67    76    77   1.00000 -1.0 2.0
   53    60    52    46   1.00000 -1.0 2.0
   52    68    60    61  10.50000 -1.0 2.0
   41    44    40    38   1.10000 -1.0 2.0
END
