* LIGAND DATABASE FILE (OPLS2005)
*
001      76    76    138    212     412
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02084    88.79878   -71.03732
    3     1 S   H    _H1_     3     1.02082    91.75216    37.61699
    4     1 S   H    _H2_     4     1.02131    32.93956   160.53261
    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     1.08519   110.67109    58.72486
   26    24 S   HC   HB22    34     1.08519   110.01707   179.21765
   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   _C12    36     1.86886    96.02216  -158.11068
   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   CT   _C13    37     1.59748   111.35799   177.30739
   38    33 S   CM   _C6_    63     1.52855   104.24993    59.96873
   39    38 S   HC   _H22    64     1.08539   115.51308  -151.02391
   40    37 S   CT   _C9_    38     1.55533   109.58978   173.65640
   41    40 S   HC   _H24    39     1.09021   109.61810  -173.75396
   42    40 S   HC   _H25    40     1.09158   109.20867    69.54134
   43    37 S   CT   _C16    55     1.55031   114.73132    51.60962
   44    43 S   HC   _H32    56     1.07878   108.24984   -57.25856
   45    43 S   HC   _H33    57     1.07855   108.29804  -177.26069
   46    43 S   HC   _H34    58     1.07863   108.23521    62.69347
   47    37 S   CT   _C17    59     1.55836   112.18171   -67.86984
   48    47 S   HC   _H35    60     1.08042   108.48508    59.90439
   49    47 S   HC   _H36    61     1.07976   108.47744   -60.13019
   50    47 S   HC   _H37    62     1.07984   108.44190   179.86878
   51    38 S   CM   _C4_    65     1.34288   123.46305    28.99091
   52    51 S   HC   _H20    66     1.08988   117.32938    -0.04423
   53    40 S   CT   _C11    41     1.52771   113.92758   -52.54219
   54    53 S   HC   _H28    42     1.06655   109.91958   -66.40758
   55    51 S   CM   _C8_    67     1.46658   126.95811  -179.88465
   56    53 S   CT   _C10    43     1.52435   111.58023    56.59489
   57    56 S   HC   _H26    44     1.09694   108.18477    64.85807
   58    56 S   HC   _H27    45     1.09396   109.00384  -179.21590
   59    53 S   OH   _O17    53     1.42688   108.01311   176.48247
   60    59 S   HO   _H41    54     0.97126   106.63080    60.04769
   61    55 S   CM   _C5_    68     1.34656   117.83468   180.00000
   62    61 S   HC   _H21    69     1.08891   120.43943   179.91607
   63    55 S   CT   _C15    73     1.50753   117.05018    -0.05595
   64    63 S   HC   _H29    74     1.09090   114.01263    90.08482
   65    63 S   HC   _H30    75     1.09491   110.50594   -29.84963
   66    63 S   HC   _H31    76     1.09572   110.41196  -150.12688
   67    33 S   CT   _C14    46     1.58733   109.89501   -55.91365
   68    61 S   CO4  _C7_    70     1.47966   125.89933    -0.05595
   69    68 S   O    _O16    71     1.22678   121.60203  -150.06644
   70    68 S   HC   _H23    72     1.09758   117.44009    30.04882
   71    67 S   CT   _C18    47     1.54165   116.99971   -48.70865
   72    71 S   HC   _H38    48     1.08291   108.99220    52.91477
   73    71 S   HC   _H39    49     1.08327   108.94636   -67.00027
   74    71 S   HC   _H40    50     1.08301   108.95467   172.95901
   75    67 S   OH   _O18    51     1.44554   107.94871    68.44800
   76    75 S   HO   _H42    52     0.96599   105.92192   179.48490
  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  12   5   4   3
  28   2   1   1  21  13   4  18   7   6   9   3   2   1   5   2
   1   1  10   3   9   6   9  11   5   4   2   1   8   4   4   2
   1   1   6   2   1   1   5   3   2   1   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    67    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    56    67    71    75    43    47    38    39    51  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    42    53    56    57    58    67    71    72    73    74    75    76    43    44    45    46    47    48    49    50    38    39    51    52    55  
   35    36  
   36  
    0  
   40    41    42    53    54    56    67    71    75    59    43    44    45    46    47    48    49    50    38    39    51  
   39    51    52    55    61    63    40    43    47    56    67    71    75  
   51    52    55    67  
   41    42    53    54    56    57    58    67    59    60    43    44    45    46    47    48    49    50  
   42    53    54    56    59    43    47  
   53    54    56    59    43    47  
   44    45    46    47    48    49    50    53    67  
   45    46    47  
   46    47  
   47  
   48    49    50    53    67  
   49    50  
   50  
    0  
   52    55    61    62    68    63    64    65    66    67  
   55    61    63  
   54    56    57    58    67    71    75    59    60  
   56    57    58    67    59    60  
   61    62    68    69    70    63    64    65    66  
   57    58    67    71    72    73    74    75    76    59    60  
   58    67    71    75    59  
   67    71    75    59  
   60    67  
    0  
   62    68    69    70    63    64    65    66  
   68    69    70    63  
   64    65    66    68  
   65    66  
   66  
    0  
   71    72    73    74    75    76  
   69    70  
   70  
    0  
   72    73    74    75    76  
   73    74    75  
   74    75  
   75  
   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   0.167500   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   68   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   70   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   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   268.000  1.529
   33    67   268.000  1.529
   33    38   317.000  1.510
   37    40   268.000  1.529
   37    43   268.000  1.529
   37    47   268.000  1.529
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    53   268.000  1.529
   53    54   340.000  1.090
   53    56   268.000  1.529
   53    59   320.000  1.410
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    67   268.000  1.529
   67    71   268.000  1.529
   67    75   320.000  1.410
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   75    76   553.000  0.945
   59    60   553.000  0.945
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   38    39   340.000  1.080
   38    51   549.000  1.340
   51    52   340.000  1.080
   51    55   380.000  1.444
   55    61   549.000  1.340
   55    63   317.000  1.510
   61    62   340.000  1.080
   61    68   320.000  1.462
   68    69   570.000  1.229
   68    70   340.000  1.090
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   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  111.63000
   29    33    67    75.00000  111.63000
   29    33    38    75.00000  112.20000
   33    37    40    58.35000  112.70000
   33    37    43    58.35000  112.70000
   33    37    47    58.35000  112.70000
   33    67    56    58.35000  112.70000
   33    67    71    58.35000  112.70000
   33    67    75    50.00000  109.50000
   33    38    39    35.00000  117.00000
   33    38    51    70.00000  124.00000
   37    40    41    37.50000  110.70000
   37    40    42    37.50000  110.70000
   37    40    53    58.35000  112.70000
   37    43    44    37.50000  110.70000
   37    43    45    37.50000  110.70000
   37    43    46    37.50000  110.70000
   37    47    48    37.50000  110.70000
   37    47    49    37.50000  110.70000
   37    47    50    37.50000  110.70000
   40    53    54    37.50000  110.70000
   40    53    56    58.35000  112.70000
   40    53    59    50.00000  109.50000
   42    40    41    33.00000  107.80000
   53    40    41    37.50000  110.70000
   53    40    42    37.50000  110.70000
   53    56    57    37.50000  110.70000
   53    56    58    37.50000  110.70000
   53    56    67    58.35000  112.70000
   53    59    60    55.00000  108.50000
   56    53    54    37.50000  110.70000
   56    67    71    58.35000  112.70000
   56    67    75    50.00000  109.50000
   58    56    57    33.00000  107.80000
   67    33    37    58.35000  112.70000
   67    56    57    37.50000  110.70000
   67    56    58    37.50000  110.70000
   67    71    72    37.50000  110.70000
   67    71    73    37.50000  110.70000
   67    71    74    37.50000  110.70000
   67    75    76    55.00000  108.50000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   75    67    71    50.00000  109.50000
   59    53    54    35.00000  109.50000
   59    53    56    50.00000  109.50000
   43    37    40    58.35000  112.70000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   47    37    40    58.35000  112.70000
   47    37    43    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   38    33    37    70.00000  112.02700
   38    33    67    70.00000  112.02700
   38    51    52    35.00000  120.00000
   38    51    55    70.00000  123.01800
   51    38    39    35.00000  120.00000
   51    55    61    70.00000  123.01800
   51    55    63    70.00000  124.00000
   55    51    52    35.00000  120.00000
   55    61    62    35.00000  120.00000
   55    61    68    65.00000  118.96000
   55    63    64    35.00000  109.50000
   55    63    65    35.00000  109.50000
   55    63    66    35.00000  109.50000
   61    68    69    80.00000  123.72100
   61    68    70    40.00000  115.75000
   68    61    62    40.00000  117.72500
   70    68    69    35.00000  123.00000
   63    55    61    70.00000  124.00000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    67   0.01700  1.0 1.0
   24    29    33    67  -0.23550 -1.0 2.0
   24    29    33    67   0.21350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40   0.44750  1.0 1.0
   29    33    37    40  -0.17800 -1.0 2.0
   29    33    37    40   0.20200  1.0 3.0
   29    33    37    43   0.44750  1.0 1.0
   29    33    37    43  -0.17800 -1.0 2.0
   29    33    37    43   0.20200  1.0 3.0
   29    33    37    47   0.44750  1.0 1.0
   29    33    37    47  -0.17800 -1.0 2.0
   29    33    37    47   0.20200  1.0 3.0
   29    33    67    56   0.44750  1.0 1.0
   29    33    67    56  -0.17800 -1.0 2.0
   29    33    67    56   0.20200  1.0 3.0
   29    33    67    71   0.44750  1.0 1.0
   29    33    67    71  -0.17800 -1.0 2.0
   29    33    67    71   0.20200  1.0 3.0
   29    33    67    75   0.56750  1.0 1.0
   29    33    67    75  -0.07550 -1.0 2.0
   29    33    67    75   0.20000  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    51   0.42700  1.0 1.0
   29    33    38    51  -0.70350 -1.0 2.0
   29    33    38    51  -0.43150  1.0 3.0
   33    37    40    41   0.15000  1.0 3.0
   33    37    40    42   0.15000  1.0 3.0
   33    37    40    53   0.56750  1.0 1.0
   33    37    40    53  -0.07550 -1.0 2.0
   33    37    40    53   0.20000  1.0 3.0
   33    37    43    44   0.15000  1.0 3.0
   33    37    43    45   0.15000  1.0 3.0
   33    37    43    46   0.15000  1.0 3.0
   33    37    47    48   0.15000  1.0 3.0
   33    37    47    49   0.15000  1.0 3.0
   33    37    47    50   0.15000  1.0 3.0
   33    67    71    72   0.15000  1.0 3.0
   33    67    71    73   0.15000  1.0 3.0
   33    67    71    74   0.15000  1.0 3.0
   33    67    75    76  -0.11600  1.0 1.0
   33    67    75    76  -0.09450 -1.0 2.0
   33    67    75    76   0.21250  1.0 3.0
   33    38    51    52   7.00000 -1.0 2.0
   33    38    51    55   7.00000 -1.0 2.0
   37    33    67    56   0.56750  1.0 1.0
   37    33    67    56  -0.07550 -1.0 2.0
   37    33    67    56   0.20000  1.0 3.0
   37    33    67    71   0.56750  1.0 1.0
   37    33    67    71  -0.07550 -1.0 2.0
   37    33    67    71   0.20000  1.0 3.0
   37    33    67    75   0.86500  1.0 1.0
   37    33    67    75  -0.17500 -1.0 2.0
   37    33    67    75   0.20800  1.0 3.0
   37    33    38    39   0.00000  1.0 1.0
   37    33    38    51   0.09850  1.0 1.0
   37    33    38    51   0.15250 -1.0 2.0
   37    33    38    51  -0.50650  1.0 3.0
   37    40    53    54   0.15000  1.0 3.0
   37    40   -53    56   0.56750  1.0 1.0
   37    40   -53    56  -0.07550 -1.0 2.0
   37    40   -53    56   0.20000  1.0 3.0
   37    40    53    59   0.86500  1.0 1.0
   37    40    53    59  -0.17500 -1.0 2.0
   37    40    53    59   0.20800  1.0 3.0
   40    37    43    44   0.15000  1.0 3.0
   40    37    43    45   0.15000  1.0 3.0
   40    37    43    46   0.15000  1.0 3.0
   40    37    47    48   0.15000  1.0 3.0
   40    37    47    49   0.15000  1.0 3.0
   40    37    47    50   0.15000  1.0 3.0
   40    53    56    57   0.15000  1.0 3.0
   40    53    56    58   0.15000  1.0 3.0
   40    53    56    67   0.56750  1.0 1.0
   40    53    56    67  -0.07550 -1.0 2.0
   40    53    56    67   0.20000  1.0 3.0
   40    53    59    60  -0.11600  1.0 1.0
   40    53    59    60  -0.09450 -1.0 2.0
   40    53    59    60   0.21250  1.0 3.0
   41    40    53    54   0.15000  1.0 3.0
   41    40    53    56   0.15000  1.0 3.0
   41    40    53    59   0.23400  1.0 3.0
   42    40    53    54   0.15000  1.0 3.0
   42    40    53    56   0.15000  1.0 3.0
   42    40    53    59   0.23400  1.0 3.0
   53    56   -67    33   0.56750  1.0 1.0
   53    56   -67    33  -0.07550 -1.0 2.0
   53    56   -67    33   0.20000  1.0 3.0
   53    56    67    71   0.56750  1.0 1.0
   53    56    67    71  -0.07550 -1.0 2.0
   53    56    67    71   0.20000  1.0 3.0
   53    56    67    75   0.86500  1.0 1.0
   53    56    67    75  -0.17500 -1.0 2.0
   53    56    67    75   0.20800  1.0 3.0
   54    53    56    57   0.15000  1.0 3.0
   54    53    56    58   0.15000  1.0 3.0
   54    53    56    67   0.15000  1.0 3.0
   54    53    59    60   0.19450  1.0 3.0
   56    53    59    60  -0.11600  1.0 1.0
   56    53    59    60  -0.09450 -1.0 2.0
   56    53    59    60   0.21250  1.0 3.0
   56    67    71    72   0.15000  1.0 3.0
   56    67    71    73   0.15000  1.0 3.0
   56    67    71    74   0.15000  1.0 3.0
   56    67    75    76  -0.11600  1.0 1.0
   56    67    75    76  -0.09450 -1.0 2.0
   56    67    75    76   0.21250  1.0 3.0
   57    56    67    33   0.15000  1.0 3.0
   57    56    67    71   0.15000  1.0 3.0
   57    56    67    75   0.23400  1.0 3.0
   58    56    67    33   0.15000  1.0 3.0
   58    56    67    71   0.15000  1.0 3.0
   58    56    67    75   0.23400  1.0 3.0
   67    33   -37    40   0.56750  1.0 1.0
   67    33   -37    40  -0.07550 -1.0 2.0
   67    33   -37    40   0.20000  1.0 3.0
   67    33    37    43   0.56750  1.0 1.0
   67    33    37    43  -0.07550 -1.0 2.0
   67    33    37    43   0.20000  1.0 3.0
   67    33    37    47   0.56750  1.0 1.0
   67    33    37    47  -0.07550 -1.0 2.0
   67    33    37    47   0.20000  1.0 3.0
   67    33    38    39   0.00000  1.0 1.0
   67    33    38    51   0.09850  1.0 1.0
   67    33    38    51   0.15250 -1.0 2.0
   67    33    38    51  -0.50650  1.0 3.0
   71    67    75    76  -0.11600  1.0 1.0
   71    67    75    76  -0.09450 -1.0 2.0
   71    67    75    76   0.21250  1.0 3.0
   75    67    71    72   0.23400  1.0 3.0
   75    67    71    73   0.23400  1.0 3.0
   75    67    71    74   0.23400  1.0 3.0
   59    53    56    57   0.23400  1.0 3.0
   59    53    56    58   0.23400  1.0 3.0
   59    53    56    67   0.86500  1.0 1.0
   59    53    56    67  -0.17500 -1.0 2.0
   59    53    56    67   0.20800  1.0 3.0
   43    37    40    41   0.15000  1.0 3.0
   43    37    40    42   0.15000  1.0 3.0
   43    37    40    53   0.56750  1.0 1.0
   43    37    40    53  -0.07550 -1.0 2.0
   43    37    40    53   0.20000  1.0 3.0
   43    37    47    48   0.15000  1.0 3.0
   43    37    47    49   0.15000  1.0 3.0
   43    37    47    50   0.15000  1.0 3.0
   47    37    40    41   0.15000  1.0 3.0
   47    37    40    42   0.15000  1.0 3.0
   47    37    40    53   0.56750  1.0 1.0
   47    37    40    53  -0.07550 -1.0 2.0
   47    37    40    53   0.20000  1.0 3.0
   47    37    43    44   0.15000  1.0 3.0
   47    37    43    45   0.15000  1.0 3.0
   47    37    43    46   0.15000  1.0 3.0
   38    33    37    40   0.34400  1.0 1.0
   38    33    37    40   0.09450 -1.0 2.0
   38    33    37    40   0.11100  1.0 3.0
   38    33    37    43   0.34400  1.0 1.0
   38    33    37    43   0.09450 -1.0 2.0
   38    33    37    43   0.11100  1.0 3.0
   38    33    37    47   0.34400  1.0 1.0
   38    33    37    47   0.09450 -1.0 2.0
   38    33    37    47   0.11100  1.0 3.0
   38    33    67    56   0.34400  1.0 1.0
   38    33    67    56   0.09450 -1.0 2.0
   38    33    67    56   0.11100  1.0 3.0
   38    33    67    71   0.34400  1.0 1.0
   38    33    67    71   0.09450 -1.0 2.0
   38    33    67    71   0.11100  1.0 3.0
   38    33    67    75   1.05650  1.0 1.0
   38    33    67    75   0.15600 -1.0 2.0
   38    33    67    75   0.53150  1.0 3.0
   38    51    55    61   0.28850  1.0 1.0
   38    51    55    61   2.61350 -1.0 2.0
   38    51    55    61   0.78400  1.0 3.0
   38    51    55    63  -0.18600  1.0 3.0
   39    38    51    52   7.00000 -1.0 2.0
   39    38    51    55   7.00000 -1.0 2.0
   51    55    61    62   7.00000 -1.0 2.0
   51    55    61    68   7.00000 -1.0 2.0
   51    55    63    64   0.00000  1.0 1.0
   51    55    63    65   0.00000  1.0 1.0
   51    55    63    66   0.00000  1.0 1.0
   52    51    55    61  -0.18600  1.0 3.0
   52    51    55    63   0.00000  1.0 1.0
   55    61    68    69   1.00000 -1.0 2.0
   55    61    68    70  -0.79650  1.0 1.0
   55    61    68    70   1.60950 -1.0 2.0
   55    61    68    70  -0.26250  1.0 3.0
   61    55    63    64   0.00000  1.0 1.0
   61    55    63    65   0.00000  1.0 1.0
   61    55    63    66   0.00000  1.0 1.0
   62    61    68    69   0.00000  1.0 1.0
   62    61    68    70   0.93100 -1.0 2.0
   63    55    61    62   7.00000 -1.0 2.0
   63    55    61    68   7.00000 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    39    38    51  15.00000 -1.0 2.0
   55    52    51    38  15.00000 -1.0 2.0
   51    63    55    61  15.00000 -1.0 2.0
   68    62    61    55  15.00000 -1.0 2.0
   61    70    68    69  10.50000 -1.0 2.0
END
