* LIGAND DATABASE FILE (OPLS2005)
*
001      77    78    140    218     421
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02077   106.20615   -23.37699
    3     1 S   H    _H1_     3     1.02111    61.56182    79.43452
    4     1 S   H    _H2_     4     1.02090    50.69029  -124.51405
    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     1.08611   110.49349    58.87219
   26    24 S   HC   HB22    34     1.08575   109.90351   179.04879
   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     1.81798    98.29352  -158.14633
   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   _C5_    37     1.52175   111.78308   179.95154
   38    37 S   HC   _H25    38     1.09815   112.46896   -45.08066
   39    33 S   OH   _O19    76     1.43107   109.99863   -59.01041
   40    39 S   HO   _H40    77     0.96724   106.24336    57.25103
   41    37 S   CO4  _C4_    39     1.50553   101.56641  -159.62814
   42    41 S   O    _O13    40     1.22084   126.24467  -156.04913
   43    37 S   OS1  _O23    53     1.40616   112.97335    80.09679
   44    41 S   OS   _O14    41     1.36996   109.02010    24.57385
   45    43 S   CO1  _C11    54     1.42669   111.31033  -156.54557
   46    45 S   HC   _H31    55     1.11523   106.30725   -29.98776
   47    33 S   CT   _C10    42     1.53173   116.08789    63.86321
   48    47 S   HC   _H30    43     1.09573   111.21849   -89.80783
   49    45 S   CT   _C8_    56     1.52924   112.55364  -148.44578
   50    49 S   HC   _H28    57     1.09774   109.51478   168.13432
   51    47 S   CT   _C15    44     1.52474   117.72753    37.73782
   52    51 S   HC   _H36    45     1.09418   110.31835   -80.05447
   53    49 S   CT   _C6_    58     1.52657   111.70708   -71.66102
   54    53 S   HC   _H26    59     1.09534   111.30565    73.51726
   55    49 S   OH5  _O18    74     1.42272   110.30565    50.23543
   56    55 S   HO   _H39    75     0.97047   106.69776    56.75209
   57    51 S   CT   _C14    46     1.52208   111.33868   157.08655
   58    57 S   HC   _H34    47     1.09445   111.29984   -79.95182
   59    57 S   HC   _H35    48     1.09519   111.13093    42.42055
   60    51 S   OH   _O22    51     1.42557   108.72048    37.69970
   61    60 S   HO   _H43    52     0.97020   106.53533   -59.97999
   62    53 S   CT   _C7_    60     1.53000   110.62196   -50.25110
   63    62 S   HC   _H27    61     1.09761   108.81443   -72.39866
   64    53 S   OH5  _O16    72     1.42955   109.11589  -169.21420
   65    64 S   HO   _H37    73     0.96874   106.35938    60.40660
   66    57 S   OH   _O21    49     1.42325   108.80165   161.23648
   67    66 S   HO   _H42    50     0.97025   106.65438  -179.98022
   68    62 S   CT   _C9_    62     1.53513   111.15718    49.74733
   69    68 S   HC   _H29    63     1.09759   110.26831    67.05722
   70    62 S   OH5  _O17    70     1.42535   108.05243   170.89379
   71    70 S   HO   _H38    71     0.96946   106.54247   -59.97718
   72    45 S   OS1  _O15    64     1.42927   112.28610    86.17789
   73    68 S   CT   _C13    65     1.52643   112.03027  -173.54247
   74    73 S   HC   _H32    66     1.09021   109.90997    59.99978
   75    73 S   HC   _H33    67     1.08963   109.92526   -60.96637
   76    73 S   OH5  _O20    68     1.41561   108.52483   179.48224
   77    76 S   HO   _H41    69     0.97235   107.09745   179.94766
  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  11   5   4   3
  15   2   1   1  14   7   7   1   7   3  10   6  13   6   9   4
  12   7   8   6  13   7   4   1   6   4   3   2   1  12   7   3
   1   1   1   9   6   3   1   4   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    47    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    44    47    48    51    43    39    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    44    47    48    51    52    57    60    43    45    39    40  
   35    36  
   36  
    0  
   38    41    42    44    47    48    51    43    45    46    49    72    39    40  
   41    42    44    47    43    45    39  
   40    41    43    44    47    48    51  
   47  
   42    44    47    48    51    43    45  
   44    47    43  
   45    46    49    50    53    68    72    55    44    47  
   47    48    51    52    57    60  
   46    49    50    53    54    62    68    69    72    73    64    55    56  
   49    50    53    68    72    55  
   48    51    52    57    58    59    66    60    61  
   51    52    57    60  
   50    53    54    62    63    68    72    70    64    65    55    56  
   53    54    62    72    64    55    56  
   52    57    58    59    66    67    60    61  
   57    58    59    66    60    61  
   54    62    63    68    69    72    73    70    71    64    65    55    56  
   62    63    68    70    64    65    55  
   56    62    64    72  
    0  
   58    59    66    67    60    61  
   59    66    67    60  
   66    67    60  
   61    66  
    0  
   63    68    69    72    73    74    75    76    70    71    64    65  
   68    69    72    73    70    71    64  
   65    68    70  
    0  
   67  
    0  
   69    72    73    74    75    76    77    70    71  
   72    73    74    75    76    70  
   71    72    73  
    0  
   73    74    75    76  
   74    75    76    77  
   75    76    77  
   76    77  
   77  
    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   0.432500   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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   39   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   40   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   45   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   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    47   268.000  1.529
   33    39   320.000  1.410
   37    38   340.000  1.090
   37    41   317.000  1.522
   37    43   335.000  1.422
   41    42   570.000  1.229
   41    44   214.000  1.327
   44    47   320.000  1.410
   47    48   340.000  1.090
   47    51   268.000  1.529
   51    52   340.000  1.090
   51    57   268.000  1.529
   51    60   320.000  1.410
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    66   320.000  1.410
   66    67   553.000  0.945
   60    61   553.000  0.945
   43    45   370.000  1.399
   45    46   360.000  1.097
   45    49   255.000  1.525
   45    72   370.000  1.399
   49    50   340.000  1.090
   49    53   268.000  1.529
   49    55   355.000  1.421
   53    54   340.000  1.090
   53    62   268.000  1.529
   53    64   355.000  1.421
   62    63   340.000  1.090
   62    68   268.000  1.529
   62    70   355.000  1.421
   68    69   340.000  1.090
   68    72   335.000  1.422
   68    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   355.000  1.421
   76    77   580.000  0.967
   70    71   580.000  0.967
   64    65   580.000  0.967
   55    56   580.000  0.967
   39    40   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  111.63000
   29    33    47    75.00000  111.63000
   29    33    39    85.00000  114.68000
   33    37    38    37.50000  110.70000
   33    37    41    63.00000  111.10000
   33    37    43    95.00000  107.88500
   33    47    44    50.00000  109.50000
   33    47    48    37.50000  110.70000
   33    47    51    58.35000  112.70000
   33    39    40    55.00000  108.50000
   37    41    42    80.00000  120.40000
   37    41    44    81.00000  111.40000
   37    43    45    90.00000  112.10700
   41    37    38    35.00000  109.50000
   41    44    47    83.00000  116.90000
   44    41    42    83.00000  123.40000
   44    47    48    35.00000  109.50000
   44    47    51    50.00000  109.50000
   47    33    37    58.35000  112.70000
   47    51    52    37.50000  110.70000
   47    51    57    58.35000  112.70000
   47    51    60    50.00000  109.50000
   51    47    48    37.50000  110.70000
   51    57    58    37.50000  110.70000
   51    57    59    37.50000  110.70000
   51    57    66    50.00000  109.50000
   51    60    61    55.00000  108.50000
   57    51    52    37.50000  110.70000
   57    66    67    55.00000  108.50000
   59    57    58    33.00000  107.80000
   66    57    58    35.00000  109.50000
   66    57    59    35.00000  109.50000
   60    51    52    35.00000  109.50000
   60    51    57    50.00000  109.50000
   43    37    38    55.00000  108.98800
   43    37    41    90.00000  108.74100
   43    45    46    60.00000  105.75400
   43    45    49    90.00000  109.70700
   43    45    72   110.00000  113.16000
   45    49    50    45.00000  109.54000
   45    49    53    70.00000  111.10000
   45    49    55    90.00000  109.42000
   45    72    68    90.00000  112.10700
   49    45    46    45.00000  111.65000
   49    53    54    37.50000  110.70000
   49    53    62    58.35000  112.70000
   49    53    64    90.00000  111.45300
   49    55    56    65.00000  108.53500
   53    49    50    37.50000  110.70000
   53    62    63    37.50000  110.70000
   53    62    68    58.35000  112.70000
   53    62    70    90.00000  111.45300
   53    64    65    65.00000  108.53500
   62    53    54    37.50000  110.70000
   62    68    69    37.50000  110.70000
   62    68    72    95.00000  107.88500
   62    68    73    58.35000  112.70000
   62    70    71    65.00000  108.53500
   68    62    63    37.50000  110.70000
   68    73    74    37.50000  110.70000
   68    73    75    37.50000  110.70000
   68    73    76    90.00000  111.45300
   72    45    46    60.00000  105.75400
   72    45    49    90.00000  109.70700
   72    68    69    55.00000  108.98800
   73    68    69    37.50000  110.70000
   73    68    72    95.00000  107.88500
   73    76    77    65.00000  108.53500
   75    73    74    33.00000  107.80000
   76    73    74    60.00000  109.39000
   76    73    75    60.00000  109.39000
   70    62    63    60.00000  109.39000
   70    62    68    90.00000  111.45300
   64    53    54    60.00000  109.39000
   64    53    62    90.00000  111.45300
   55    49    50    60.00000  109.39000
   55    49    53    90.00000  111.45300
   39    33    37    50.00000  109.50000
   39    33    47    50.00000  109.50000
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    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   0.21350  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  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   0.15000  1.0 3.0
   29    33    37    41   0.56750  1.0 1.0
   29    33    37    41  -0.07550 -1.0 2.0
   29    33    37    41   0.20000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    47    44   0.56750  1.0 1.0
   29    33    47    44  -0.07550 -1.0 2.0
   29    33    47    44   0.20000  1.0 3.0
   29    33    47    48   0.15000  1.0 3.0
   29    33    47    51   0.44750  1.0 1.0
   29    33    47    51  -0.17800 -1.0 2.0
   29    33    47    51   0.20200  1.0 3.0
   29    33    39    40   0.35600  1.0 1.0
   29    33    39    40  -0.10750 -1.0 2.0
   29    33    39    40  -0.54400  1.0 3.0
   33    37    41    42   0.30150 -1.0 2.0
   33    37   -41    44   0.36750  1.0 3.0
   33    37    43    45   0.06250  1.0 1.0
   33    37    43    45  -0.01100 -1.0 2.0
   33    37    43    45   0.28050  1.0 3.0
   33    47    51    52   0.15000  1.0 3.0
   33    47    51    57   0.56750  1.0 1.0
   33    47    51    57  -0.07550 -1.0 2.0
   33    47    51    57   0.20000  1.0 3.0
   33    47    51    60   0.86500  1.0 1.0
   33    47    51    60  -0.17500 -1.0 2.0
   33    47    51    60   0.20800  1.0 3.0
   37    33   -47    44   0.62750  1.0 1.0
   37    33   -47    44  -0.30950 -1.0 2.0
   37    33   -47    44   0.27300  1.0 3.0
   37    33    47    48   0.15000  1.0 3.0
   37    33    47    51   0.56750  1.0 1.0
   37    33    47    51  -0.07550 -1.0 2.0
   37    33    47    51   0.20000  1.0 3.0
   37    33    39    40  -0.11600  1.0 1.0
   37    33    39    40  -0.09450 -1.0 2.0
   37    33    39    40   0.21250  1.0 3.0
   37    41   -44    47   1.63150  1.0 1.0
   37    41   -44    47   2.92000 -1.0 2.0
   37    43    45    46   0.37050  1.0 3.0
   37    43    45    49   0.06250  1.0 1.0
   37    43    45    49  -0.01100 -1.0 2.0
   37    43    45    49   0.28050  1.0 3.0
   37    43    45    72  -0.12700  1.0 1.0
   37    43    45    72  -1.16200 -1.0 2.0
   37    43    45    72   0.58800  1.0 3.0
   38    37    41    42   0.00000  1.0 1.0
   38    37    41    44   0.00000  1.0 1.0
   38    37    43    45   0.37050  1.0 3.0
   41    37    43    45  -1.11000  1.0 1.0
   41    37    43    45   0.50250 -1.0 2.0
   41    37    43    45   0.47450  1.0 3.0
   41    44   -47    33  -0.25900  1.0 1.0
   41    44   -47    33  -0.47000 -1.0 2.0
   41    44   -47    33   0.11750  1.0 3.0
   41    44    47    48   0.08050  1.0 3.0
   41    44    47    51  -0.25900  1.0 1.0
   41    44    47    51  -0.47000 -1.0 2.0
   41    44    47    51   0.11750  1.0 3.0
   42    41    44    47   3.00000 -1.0 2.0
   44    47    51    52   0.23400  1.0 3.0
   44    47    51    57   0.62750  1.0 1.0
   44    47    51    57  -0.30950 -1.0 2.0
   44    47    51    57   0.27300  1.0 3.0
   44    47    51    60   3.69350  1.0 1.0
   44    47    51    60  -1.82950 -1.0 2.0
   47    33    37    38   0.15000  1.0 3.0
   47    33   -37    41  -0.95700  1.0 1.0
   47    33   -37    41  -0.18200 -1.0 2.0
   47    33   -37    41   0.29450  1.0 3.0
   47    33    37    43   0.62750  1.0 1.0
   47    33    37    43  -0.30950 -1.0 2.0
   47    33    37    43   0.27300  1.0 3.0
   47    33    39    40  -0.11600  1.0 1.0
   47    33    39    40  -0.09450 -1.0 2.0
   47    33    39    40   0.21250  1.0 3.0
   47    51    57    58   0.15000  1.0 3.0
   47    51    57    59   0.15000  1.0 3.0
   47    51    57    66   0.86500  1.0 1.0
   47    51    57    66  -0.17500 -1.0 2.0
   47    51    57    66   0.20800  1.0 3.0
   47    51    60    61  -0.11600  1.0 1.0
   47    51    60    61  -0.09450 -1.0 2.0
   47    51    60    61   0.21250  1.0 3.0
   48    47    51    52   0.15000  1.0 3.0
   48    47    51    57   0.15000  1.0 3.0
   48    47    51    60   0.23400  1.0 3.0
   51    57    66    67  -0.11600  1.0 1.0
   51    57    66    67  -0.09450 -1.0 2.0
   51    57    66    67   0.21250  1.0 3.0
   52    51    57    58   0.15000  1.0 3.0
   52    51    57    59   0.15000  1.0 3.0
   52    51    57    66   0.23400  1.0 3.0
   52    51    60    61   0.19450  1.0 3.0
   57    51    60    61  -0.11600  1.0 1.0
   57    51    60    61  -0.09450 -1.0 2.0
   57    51    60    61   0.21250  1.0 3.0
   58    57    66    67   0.19450  1.0 3.0
   59    57    66    67   0.19450  1.0 3.0
   60    51    57    58   0.23400  1.0 3.0
   60    51    57    59   0.23400  1.0 3.0
   60    51    57    66   3.75450  1.0 1.0
   43    37    41    42   0.30150 -1.0 2.0
   43    37    41    44   0.40000  1.0 3.0
   43    45    49    50   0.23400  1.0 3.0
   43    45    49    53   0.62750  1.0 1.0
   43    45    49    53  -0.30950 -1.0 2.0
   43    45    49    53   0.27300  1.0 3.0
   43    45    49    55   1.51850  1.0 1.0
   43    45    72    68  -0.70400  1.0 1.0
   43    45    72    68  -0.90350 -1.0 2.0
   45    49    53    54   0.15000  1.0 3.0
   45    49    53    62   0.56750  1.0 1.0
   45    49    53    62  -0.07550 -1.0 2.0
   45    49    53    62   0.20000  1.0 3.0
   45    49    53    64  -0.47750  1.0 1.0
   45    49    55    56   0.29150  1.0 1.0
   45    49    55    56  -0.28350 -1.0 2.0
   45    49    55    56   0.43600  1.0 3.0
   46    45    49    50   0.15000  1.0 3.0
   46    45    49    53   0.15000  1.0 3.0
   46    45    49    55   0.23400  1.0 3.0
   46    45    72    68   0.37050  1.0 3.0
   49    45    72    68   0.06250  1.0 1.0
   49    45    72    68  -0.01100 -1.0 2.0
   49    45    72    68   0.28050  1.0 3.0
   49    53    62    63   0.15000  1.0 3.0
   49    53   -62    68   0.56750  1.0 1.0
   49    53   -62    68  -0.07550 -1.0 2.0
   49    53   -62    68   0.20000  1.0 3.0
   49    53    62    70  -0.47750  1.0 1.0
   49    53    64    65   0.29150  1.0 1.0
   49    53    64    65  -0.28350 -1.0 2.0
   49    53    64    65   0.43600  1.0 3.0
   50    49    53    54   0.15000  1.0 3.0
   50    49    53    62   0.15000  1.0 3.0
   50    49    53    64   0.23400  1.0 3.0
   50    49    55    56   0.19450  1.0 3.0
   53    49    55    56   0.29150  1.0 1.0
   53    49    55    56  -0.28350 -1.0 2.0
   53    49    55    56   0.43600  1.0 3.0
   53    62    68    69   0.15000  1.0 3.0
   53    62    68    72   0.62750  1.0 1.0
   53    62    68    72  -0.30950 -1.0 2.0
   53    62    68    72   0.27300  1.0 3.0
   53    62    68    73   0.56750  1.0 1.0
   53    62    68    73  -0.07550 -1.0 2.0
   53    62    68    73   0.20000  1.0 3.0
   53    62    70    71   0.29150  1.0 1.0
   53    62    70    71  -0.28350 -1.0 2.0
   53    62    70    71   0.43600  1.0 3.0
   54    53    62    63   0.15000  1.0 3.0
   54    53    62    68   0.15000  1.0 3.0
   54    53    62    70   0.23400  1.0 3.0
   54    53    64    65   0.19450  1.0 3.0
   62    53    64    65   0.29150  1.0 1.0
   62    53    64    65  -0.28350 -1.0 2.0
   62    53    64    65   0.43600  1.0 3.0
   62    68   -72    45   0.06250  1.0 1.0
   62    68   -72    45  -0.01100 -1.0 2.0
   62    68   -72    45   0.28050  1.0 3.0
   62    68    73    74   0.15000  1.0 3.0
   62    68    73    75   0.15000  1.0 3.0
   62    68    73    76  -0.47750  1.0 1.0
   63    62    68    69   0.15000  1.0 3.0
   63    62    68    72   0.23400  1.0 3.0
   63    62    68    73   0.15000  1.0 3.0
   63    62    70    71   0.19450  1.0 3.0
   68    62    70    71   0.29150  1.0 1.0
   68    62    70    71  -0.28350 -1.0 2.0
   68    62    70    71   0.43600  1.0 3.0
   68    73    76    77   0.29150  1.0 1.0
   68    73    76    77  -0.28350 -1.0 2.0
   68    73    76    77   0.43600  1.0 3.0
   69    68    72    45   0.37050  1.0 3.0
   69    68    73    74   0.15000  1.0 3.0
   69    68    73    75   0.15000  1.0 3.0
   69    68    73    76   0.23400  1.0 3.0
   72    45    49    50   0.23400  1.0 3.0
   72    45   -49    53   0.62750  1.0 1.0
   72    45   -49    53  -0.30950 -1.0 2.0
   72    45   -49    53   0.27300  1.0 3.0
   72    45    49    55   1.51850  1.0 1.0
   72    68    73    74   0.23400  1.0 3.0
   72    68    73    75   0.23400  1.0 3.0
   72    68    73    76   1.51850  1.0 1.0
   73    68    72    45   0.06250  1.0 1.0
   73    68    72    45  -0.01100 -1.0 2.0
   73    68    72    45   0.28050  1.0 3.0
   74    73    76    77   0.19450  1.0 3.0
   75    73    76    77   0.19450  1.0 3.0
   70    62    68    69   0.23400  1.0 3.0
   70    62    68    72   1.51850  1.0 1.0
   70    62    68    73  -0.47750  1.0 1.0
   64    53    62    63   0.23400  1.0 3.0
   64    53    62    68  -0.47750  1.0 1.0
   64    53    62    70   3.77950  1.0 1.0
   55    49    53    54   0.23400  1.0 3.0
   55    49    53    62  -0.47750  1.0 1.0
   55    49    53    64   3.77950  1.0 1.0
   39    33    37    38   0.23400  1.0 3.0
   39    33    37    41  -0.09450  1.0 1.0
   39    33    37    41  -1.12950 -1.0 2.0
   39    33    37    41   0.54000  1.0 3.0
   39    33    37    43   3.69350  1.0 1.0
   39    33    37    43  -1.82950 -1.0 2.0
   39    33    47    44   3.69350  1.0 1.0
   39    33    47    44  -1.82950 -1.0 2.0
   39    33    47    48   0.23400  1.0 3.0
   39    33    47    51   0.86500  1.0 1.0
   39    33    47    51  -0.17500 -1.0 2.0
   39    33    47    51   0.20800  1.0 3.0
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
   37    44    41    42  10.50000 -1.0 2.0
END
