* LIGAND DATABASE FILE (OPLS2005)
*
001      75    77    149    239     447
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02112    62.19031  -107.25941
    3     1 S   H    _H1_     3     1.02117   106.14652    -4.31239
    4     1 S   H    _H2_     4     1.02094    50.09623    96.84492
    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   110.61667    58.77943
   26    24 S   HC   HB22    34     1.08547   109.95733   179.17291
   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   _C14    36     1.85491    97.01212  -158.13507
   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   _C10    37     1.53250   107.51371   -40.02200
   38    37 S   HC   _H29    38     1.09778   113.94259   -28.59501
   39    37 S   HC   _H30    39     1.09541   113.32109    95.03198
   40    33 S   CT   _C13    53     1.61156   113.73851    87.11074
   41    37 S   OS   _O17    40     1.43904   105.54232  -145.13675
   42    40 S   CT   _C8_    54     1.55269   111.28181   -44.41006
   43    42 S   HC   _H25    55     1.10079   112.95339    54.56639
   44    42 S   HC   _H26    56     1.10515   110.11793   -59.28799
   45    40 S   CT   _C16    72     1.55894   110.58278  -164.69694
   46    45 S   HC   _H33    73     1.07767   108.09664   -57.92472
   47    45 S   HC   _H34    74     1.07812   108.08466  -177.87256
   48    45 S   HC   _H35    75     1.07743   108.13443    62.12868
   49    41 S   CO4  _C4_    41     1.37025   109.85706    21.31445
   50    49 S   O    _O16    42     1.22147   124.49741   179.34389
   51    42 S   CT   _C5_    57     1.52528   115.56756   179.06080
   52    51 S   HC   _H19    58     1.11872   108.49866    97.27580
   53    51 S   HC   _H20    59     1.11918   109.63433  -150.37523
   54    33 S   CT   _C11    43     1.53623   106.77760  -146.46463
   55    54 S   HC   _H31    44     1.10075   111.31096    35.63784
   56    51 S   CT   _C9_    60     1.52199   115.79032   -25.50711
   57    56 S   HC   _H27    61     1.11943   107.90360   100.35955
   58    56 S   HC   _H28    62     1.11952   108.54585  -149.25952
   59    54 S   CT   _C6_    45     1.52322   116.55768   -87.44847
   60    59 S   HC   _H21    46     1.09899   110.34466  -161.74657
   61    59 S   HC   _H22    47     1.09996   108.11668    83.32730
   62    74 S   CT   _C15    63     1.58819   115.31792   167.15747
   63    59 S   CT   _C7_    48     1.52667   115.99808   -37.41750
   64    63 S   HC   _H23    49     1.09497   107.47177   168.45220
   65    63 S   HC   _H24    50     1.09294   108.93297   -76.96246
   66    62 S   CT   _C17    64     1.54606   113.45902    10.13091
   67    66 S   HC   _H36    65     1.08331   109.04757   -52.71180
   68    66 S   HC   _H37    66     1.08307   109.02273  -172.80042
   69    66 S   HC   _H38    67     1.08425   108.94933    67.27784
   70    62 S   CT   _C18    68     1.55235   107.68361  -107.51927
   71    70 S   HC   _H39    69     1.07967   108.50383    55.94179
   72    70 S   HC   _H40    70     1.08025   108.50722   -64.04598
   73    70 S   HC   _H41    71     1.07963   108.45517   175.91788
   74    63 S   CT   _C12    51     1.54048   112.37765    47.01544
   75    74 S   HC   _H32    52     1.11013   105.01090    53.32701
  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  13   5   4   3
  24   2   1   1  12   5   4  24   5  17   7   6   9   3   2   1
   7   3   9   5   4   8   4  14   5   4   8   5   4  13   6   3
   2   9   4   3   2   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    54    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    41    49    54    55    59    74    40    42    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    41    49    50    54    55    59    60    61    63    74    75    40    42    43    44    51    62    45    46    47    48  
   35    36  
   36  
    0  
   38    39    41    49    50    54    55    59    74    40    42    45  
   39    41    49    54    40  
   41    49    54    40  
   42    43    44    51    52    53    56    62    66    70    45    46    47    48    41    49    54    55    59    63    64    65    74    75  
   49    50    54    55    59  
   43    44    51    52    53    56    57    58    62    45    46    47    48    54    63    74    75  
   44    51    52    53    56    45    74  
   51    52    53    56    45    74  
   46    47    48    51    54    62    63    74    75  
   47    48    74  
   48    74  
   74  
   50    54    55    59    60    61    63  
   54    55    59  
   52    53    56    57    58    62    66    70    74  
   53    56    57    58    62  
   56    57    58    62  
   55    59    60    61    63    64    65    74  
   59    60    61    63  
   57    58    62    66    67    68    69    70    71    72    73    63    74    75  
   58    62    66    70    74  
   62    66    70    74  
   60    61    63    64    65    74    75    62  
   61    63    64    65    74  
   63    64    65    74  
   66    67    68    69    70    71    72    73    63    64    65    74    75  
   64    65    74    75    66    70  
   65    74    75  
   74    75  
   67    68    69    70    71    72    73    74    75  
   68    69    70    74  
   69    70    74  
   70    74  
   71    72    73    74    75  
   72    73    74  
   73    74  
   74  
   75  
    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   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   39   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   63   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    54   268.000  1.529
   33    40   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    41   320.000  1.410
   41    49   214.000  1.327
   49    50   570.000  1.229
   49    54   317.000  1.522
   54    55   340.000  1.090
   54    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    74   268.000  1.529
   74    75   340.000  1.090
   74    40   268.000  1.529
   74    62   268.000  1.529
   40    42   268.000  1.529
   40    45   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    62   268.000  1.529
   62    66   268.000  1.529
   62    70   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   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    54    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    41    50.00000  109.50000
   33    54    49    63.00000  111.10000
   33    54    55    37.50000  110.70000
   33    54    59    58.35000  112.70000
   33    40    74    58.35000  112.70000
   33    40    42    58.35000  112.70000
   33    40    45    58.35000  112.70000
   37    41    49    83.00000  116.90000
   39    37    38    33.00000  107.80000
   41    37    38    35.00000  109.50000
   41    37    39    35.00000  109.50000
   41    49    50    83.00000  123.40000
   41    49    54    81.00000  111.40000
   49    54    55    35.00000  109.50000
   49    54    59    63.00000  111.10000
   54    33    37    58.35000  112.70000
   54    49    50    80.00000  120.40000
   54    59    60    37.50000  110.70000
   54    59    61    37.50000  110.70000
   54    59    63    58.35000  112.70000
   59    54    55    37.50000  110.70000
   59    63    64    37.50000  110.70000
   59    63    65    37.50000  110.70000
   59    63    74    58.35000  112.70000
   61    59    60    33.00000  107.80000
   63    59    60    37.50000  110.70000
   63    59    61    37.50000  110.70000
   63    74    75    37.50000  110.70000
   63    74    40    58.35000  112.70000
   63    74    62    58.35000  112.70000
   65    63    64    33.00000  107.80000
   74    63    64    37.50000  110.70000
   74    63    65    37.50000  110.70000
   74    40    42    58.35000  112.70000
   74    40    45    58.35000  112.70000
   74    62    56    58.35000  112.70000
   74    62    66    58.35000  112.70000
   74    62    70    58.35000  112.70000
   40    33    37    58.35000  112.70000
   40    33    54    58.35000  112.70000
   40    74    75    37.50000  110.70000
   40    42    43    37.50000  110.70000
   40    42    44    37.50000  110.70000
   40    42    51    58.35000  112.70000
   40    45    46    37.50000  110.70000
   40    45    47    37.50000  110.70000
   40    45    48    37.50000  110.70000
   42    51    52    37.50000  110.70000
   42    51    53    37.50000  110.70000
   42    51    56    58.35000  112.70000
   44    42    43    33.00000  107.80000
   51    42    43    37.50000  110.70000
   51    42    44    37.50000  110.70000
   51    56    57    37.50000  110.70000
   51    56    58    37.50000  110.70000
   51    56    62    58.35000  112.70000
   53    51    52    33.00000  107.80000
   56    51    52    37.50000  110.70000
   56    51    53    37.50000  110.70000
   56    62    66    58.35000  112.70000
   56    62    70    58.35000  112.70000
   58    56    57    33.00000  107.80000
   62    74    75    37.50000  110.70000
   62    74    40    58.35000  112.70000
   62    56    57    37.50000  110.70000
   62    56    58    37.50000  110.70000
   62    66    67    37.50000  110.70000
   62    66    68    37.50000  110.70000
   62    66    69    37.50000  110.70000
   62    70    71    37.50000  110.70000
   62    70    72    37.50000  110.70000
   62    70    73    37.50000  110.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   70    62    66    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   45    40    42    58.35000  112.70000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    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    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   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    54    49   0.56750  1.0 1.0
   29    33    54    49  -0.07550 -1.0 2.0
   29    33    54    49   0.20000  1.0 3.0
   29    33    54    55   0.15000  1.0 3.0
   29    33    54    59   0.44750  1.0 1.0
   29    33    54    59  -0.17800 -1.0 2.0
   29    33    54    59   0.20200  1.0 3.0
   29    33    40    74   0.44750  1.0 1.0
   29    33    40    74  -0.17800 -1.0 2.0
   29    33    40    74   0.20200  1.0 3.0
   29    33    40    42   0.44750  1.0 1.0
   29    33    40    42  -0.17800 -1.0 2.0
   29    33    40    42   0.20200  1.0 3.0
   29    33    40    45   0.44750  1.0 1.0
   29    33    40    45  -0.17800 -1.0 2.0
   29    33    40    45   0.20200  1.0 3.0
   33    37   -41    49  -0.25900  1.0 1.0
   33    37   -41    49  -0.47000 -1.0 2.0
   33    37   -41    49   0.11750  1.0 3.0
   33    54    59    60   0.15000  1.0 3.0
   33    54    59    61   0.15000  1.0 3.0
   33    54    59    63   0.56750  1.0 1.0
   33    54    59    63  -0.07550 -1.0 2.0
   33    54    59    63   0.20000  1.0 3.0
   33    40    42    43   0.15000  1.0 3.0
   33    40    42    44   0.15000  1.0 3.0
   33    40    42    51   0.56750  1.0 1.0
   33    40    42    51  -0.07550 -1.0 2.0
   33    40    42    51   0.20000  1.0 3.0
   33    40    45    46   0.15000  1.0 3.0
   33    40    45    47   0.15000  1.0 3.0
   33    40    45    48   0.15000  1.0 3.0
   37    33   -54    49  -0.95700  1.0 1.0
   37    33   -54    49  -0.18200 -1.0 2.0
   37    33   -54    49   0.29450  1.0 3.0
   37    33    54    55   0.15000  1.0 3.0
   37    33    54    59   0.56750  1.0 1.0
   37    33    54    59  -0.07550 -1.0 2.0
   37    33    54    59   0.20000  1.0 3.0
   37    33    40    74   0.56750  1.0 1.0
   37    33    40    74  -0.07550 -1.0 2.0
   37    33    40    74   0.20000  1.0 3.0
   37    33    40    42   0.56750  1.0 1.0
   37    33    40    42  -0.07550 -1.0 2.0
   37    33    40    42   0.20000  1.0 3.0
   37    33    40    45   0.56750  1.0 1.0
   37    33    40    45  -0.07550 -1.0 2.0
   37    33    40    45   0.20000  1.0 3.0
   37    41    49    50   3.00000 -1.0 2.0
   37    41   -49    54   1.63150  1.0 1.0
   37    41   -49    54   2.92000 -1.0 2.0
   38    37    41    49   0.08050  1.0 3.0
   39    37    41    49   0.08050  1.0 3.0
   41    49   -54    33   0.36750  1.0 3.0
   41    49    54    55   0.00000  1.0 1.0
   41    49    54    59   0.36750  1.0 3.0
   49    54    59    60  -0.11250  1.0 3.0
   49    54    59    61  -0.11250  1.0 3.0
   49    54    59    63  -0.95700  1.0 1.0
   49    54    59    63  -0.18200 -1.0 2.0
   49    54    59    63   0.29450  1.0 3.0
   50    49    54    33   0.30150 -1.0 2.0
   50    49    54    55   0.00000  1.0 1.0
   50    49    54    59   0.30150 -1.0 2.0
   54    33    37    38   0.15000  1.0 3.0
   54    33    37    39   0.15000  1.0 3.0
   54    33   -37    41   0.62750  1.0 1.0
   54    33   -37    41  -0.30950 -1.0 2.0
   54    33   -37    41   0.27300  1.0 3.0
   54    33    40    74   0.56750  1.0 1.0
   54    33    40    74  -0.07550 -1.0 2.0
   54    33    40    74   0.20000  1.0 3.0
   54    33    40    42   0.56750  1.0 1.0
   54    33    40    42  -0.07550 -1.0 2.0
   54    33    40    42   0.20000  1.0 3.0
   54    33    40    45   0.56750  1.0 1.0
   54    33    40    45  -0.07550 -1.0 2.0
   54    33    40    45   0.20000  1.0 3.0
   54    59    63    64   0.15000  1.0 3.0
   54    59    63    65   0.15000  1.0 3.0
   54    59   -63    74   0.56750  1.0 1.0
   54    59   -63    74  -0.07550 -1.0 2.0
   54    59   -63    74   0.20000  1.0 3.0
   55    54    59    60   0.15000  1.0 3.0
   55    54    59    61   0.15000  1.0 3.0
   55    54    59    63   0.15000  1.0 3.0
   59    63    74    75   0.15000  1.0 3.0
   59    63    74    40   0.56750  1.0 1.0
   59    63    74    40  -0.07550 -1.0 2.0
   59    63    74    40   0.20000  1.0 3.0
   59    63    74    62   0.56750  1.0 1.0
   59    63    74    62  -0.07550 -1.0 2.0
   59    63    74    62   0.20000  1.0 3.0
   60    59    63    64   0.15000  1.0 3.0
   60    59    63    65   0.15000  1.0 3.0
   60    59    63    74   0.15000  1.0 3.0
   61    59    63    64   0.15000  1.0 3.0
   61    59    63    65   0.15000  1.0 3.0
   61    59    63    74   0.15000  1.0 3.0
   63    74   -40    33   0.56750  1.0 1.0
   63    74   -40    33  -0.07550 -1.0 2.0
   63    74   -40    33   0.20000  1.0 3.0
   63    74    40    42   0.56750  1.0 1.0
   63    74    40    42  -0.07550 -1.0 2.0
   63    74    40    42   0.20000  1.0 3.0
   63    74    40    45   0.56750  1.0 1.0
   63    74    40    45  -0.07550 -1.0 2.0
   63    74    40    45   0.20000  1.0 3.0
   63    74    62    56   0.56750  1.0 1.0
   63    74    62    56  -0.07550 -1.0 2.0
   63    74    62    56   0.20000  1.0 3.0
   63    74    62    66   0.56750  1.0 1.0
   63    74    62    66  -0.07550 -1.0 2.0
   63    74    62    66   0.20000  1.0 3.0
   63    74    62    70   0.56750  1.0 1.0
   63    74    62    70  -0.07550 -1.0 2.0
   63    74    62    70   0.20000  1.0 3.0
   64    63    74    75   0.15000  1.0 3.0
   64    63    74    40   0.15000  1.0 3.0
   64    63    74    62   0.15000  1.0 3.0
   65    63    74    75   0.15000  1.0 3.0
   65    63    74    40   0.15000  1.0 3.0
   65    63    74    62   0.15000  1.0 3.0
   74    40    42    43   0.15000  1.0 3.0
   74    40    42    44   0.15000  1.0 3.0
   74    40    42    51   0.56750  1.0 1.0
   74    40    42    51  -0.07550 -1.0 2.0
   74    40    42    51   0.20000  1.0 3.0
   74    40    45    46   0.15000  1.0 3.0
   74    40    45    47   0.15000  1.0 3.0
   74    40    45    48   0.15000  1.0 3.0
   74    62    66    67   0.15000  1.0 3.0
   74    62    66    68   0.15000  1.0 3.0
   74    62    66    69   0.15000  1.0 3.0
   74    62    70    71   0.15000  1.0 3.0
   74    62    70    72   0.15000  1.0 3.0
   74    62    70    73   0.15000  1.0 3.0
   75    74    40    33   0.15000  1.0 3.0
   75    74    40    42   0.15000  1.0 3.0
   75    74    40    45   0.15000  1.0 3.0
   75    74    62    56   0.15000  1.0 3.0
   75    74    62    66   0.15000  1.0 3.0
   75    74    62    70   0.15000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    41   0.62750  1.0 1.0
   40    33    37    41  -0.30950 -1.0 2.0
   40    33    37    41   0.27300  1.0 3.0
   40    33    54    49  -0.95700  1.0 1.0
   40    33    54    49  -0.18200 -1.0 2.0
   40    33    54    49   0.29450  1.0 3.0
   40    33    54    55   0.15000  1.0 3.0
   40    33   -54    59   0.56750  1.0 1.0
   40    33   -54    59  -0.07550 -1.0 2.0
   40    33   -54    59   0.20000  1.0 3.0
   40    74    62    56   0.56750  1.0 1.0
   40    74    62    56  -0.07550 -1.0 2.0
   40    74    62    56   0.20000  1.0 3.0
   40    74    62    66   0.56750  1.0 1.0
   40    74    62    66  -0.07550 -1.0 2.0
   40    74    62    66   0.20000  1.0 3.0
   40    74    62    70   0.56750  1.0 1.0
   40    74    62    70  -0.07550 -1.0 2.0
   40    74    62    70   0.20000  1.0 3.0
   40    42    51    52   0.15000  1.0 3.0
   40    42    51    53   0.15000  1.0 3.0
   40    42   -51    56   0.56750  1.0 1.0
   40    42   -51    56  -0.07550 -1.0 2.0
   40    42   -51    56   0.20000  1.0 3.0
   42    40    45    46   0.15000  1.0 3.0
   42    40    45    47   0.15000  1.0 3.0
   42    40    45    48   0.15000  1.0 3.0
   42    51    56    57   0.15000  1.0 3.0
   42    51    56    58   0.15000  1.0 3.0
   42    51    56    62   0.56750  1.0 1.0
   42    51    56    62  -0.07550 -1.0 2.0
   42    51    56    62   0.20000  1.0 3.0
   43    42    51    52   0.15000  1.0 3.0
   43    42    51    53   0.15000  1.0 3.0
   43    42    51    56   0.15000  1.0 3.0
   44    42    51    52   0.15000  1.0 3.0
   44    42    51    53   0.15000  1.0 3.0
   44    42    51    56   0.15000  1.0 3.0
   51    56   -62    74   0.56750  1.0 1.0
   51    56   -62    74  -0.07550 -1.0 2.0
   51    56   -62    74   0.20000  1.0 3.0
   51    56    62    66   0.56750  1.0 1.0
   51    56    62    66  -0.07550 -1.0 2.0
   51    56    62    66   0.20000  1.0 3.0
   51    56    62    70   0.56750  1.0 1.0
   51    56    62    70  -0.07550 -1.0 2.0
   51    56    62    70   0.20000  1.0 3.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    58   0.15000  1.0 3.0
   52    51    56    62   0.15000  1.0 3.0
   53    51    56    57   0.15000  1.0 3.0
   53    51    56    58   0.15000  1.0 3.0
   53    51    56    62   0.15000  1.0 3.0
   56    62    66    67   0.15000  1.0 3.0
   56    62    66    68   0.15000  1.0 3.0
   56    62    66    69   0.15000  1.0 3.0
   56    62    70    71   0.15000  1.0 3.0
   56    62    70    72   0.15000  1.0 3.0
   56    62    70    73   0.15000  1.0 3.0
   57    56    62    74   0.15000  1.0 3.0
   57    56    62    66   0.15000  1.0 3.0
   57    56    62    70   0.15000  1.0 3.0
   58    56    62    74   0.15000  1.0 3.0
   58    56    62    66   0.15000  1.0 3.0
   58    56    62    70   0.15000  1.0 3.0
   62    74    40    33   0.56750  1.0 1.0
   62    74    40    33  -0.07550 -1.0 2.0
   62    74    40    33   0.20000  1.0 3.0
   62    74   -40    42   0.56750  1.0 1.0
   62    74   -40    42  -0.07550 -1.0 2.0
   62    74   -40    42   0.20000  1.0 3.0
   62    74    40    45   0.56750  1.0 1.0
   62    74    40    45  -0.07550 -1.0 2.0
   62    74    40    45   0.20000  1.0 3.0
   66    62    70    71   0.15000  1.0 3.0
   66    62    70    72   0.15000  1.0 3.0
   66    62    70    73   0.15000  1.0 3.0
   70    62    66    67   0.15000  1.0 3.0
   70    62    66    68   0.15000  1.0 3.0
   70    62    66    69   0.15000  1.0 3.0
   45    40    42    43   0.15000  1.0 3.0
   45    40    42    44   0.15000  1.0 3.0
   45    40    42    51   0.56750  1.0 1.0
   45    40    42    51  -0.07550 -1.0 2.0
   45    40    42    51   0.20000  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
   41    54    49    50  10.50000 -1.0 2.0
END
