* LIGAND DATABASE FILE (OPLS2005)
*
001      75    76    145    227     426
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02031   105.20366   -30.63023
    3     1 S   H    _H1_     3     1.02121    66.08547    73.39984
    4     1 S   H    _H2_     4     1.02086    46.57615  -132.10262
    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     1.08584   110.00631   179.17671
   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   _C13    36     1.86552    96.81719   161.87495
   34    33 S   HC   _H3_    37     1.09278   102.38998   -33.66389
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CT   _C7_    38     1.55392   105.15098    79.95631
   39    38 S   HC   _H22    39     1.09774   109.99345    77.20160
   40    38 S   HC   _H23    40     1.10009   109.12458   -37.58405
   41    33 S   CT   _C15    59     1.57644   113.02796  -149.61933
   42    41 S   OM   _O16    60     1.32659   109.80117   -68.48171
   43    38 S   CT   _C6_    41     1.53453   118.37394  -158.10472
   44    43 S   HC   _H20    42     1.08895   111.78556   -67.86142
   45    43 S   HC   _H21    43     1.10005   106.85031   179.76930
   46    41 S   CT   _C18    61     1.55508   111.61532    49.46749
   47    46 S   HC   _H39    62     1.07920   108.41852   -53.82084
   48    46 S   HC   _H40    63     1.08012   108.35786  -173.82492
   49    46 S   HC   _H41    64     1.07954   108.42062    66.25880
   50    43 S   CM   _C4_    44     1.50651   114.25055    59.83215
   51    50 S   C4T  _C11    45     1.49166   120.49035   -84.71475
   52    51 S   HC   _H30    46     1.09965   110.16644   102.91780
   53    50 S   CM   _C5_    73     1.34249   121.28884    93.66564
   54    53 S   HC   _H18    74     1.07914   120.33483   179.94065
   55    53 S   HC   _H19    75     1.07927   120.39887    -0.05935
   56    51 S   C4T  _C10    47     1.55731   116.23049  -129.14678
   57    56 S   HC   _H28    48     1.09500   115.48467   -95.27497
   58    56 S   HC   _H29    49     1.09772   114.68448    31.62449
   59    51 S   C4T  _C12    51     1.56672   118.20195   -29.01918
   60    59 S   HC   _H31    52     1.10075   113.86814   -34.17390
   61    56 S   C4T  _C14    50     1.53894    87.08101   147.01928
   62    59 S   CT   _C8_    53     1.52653   118.95722   100.14983
   63    62 S   HC   _H24    54     1.09860   107.74571   150.79615
   64    62 S   HC   _H25    55     1.09325   111.15981    34.85161
   65    62 S   CT   _C9_    56     1.53788   112.55650   -91.53789
   66    65 S   HC   _H26    57     1.10324   105.75392  -133.85532
   67    65 S   HC   _H27    58     1.09551   110.66316   -22.72445
   68    61 S   CT   _C16    65     1.51708   112.87569  -147.11047
   69    68 S   HC   _H33    66     1.09170   110.32451  -180.00000
   70    68 S   HC   _H34    67     1.09180   110.28040    60.05093
   71    68 S   HC   _H35    68     1.09196   110.32862   -59.95169
   72    61 S   CT   _C17    69     1.51316   113.39180    87.04778
   73    72 S   HC   _H36    70     1.09393   110.50927  -179.97202
   74    72 S   HC   _H37    71     1.09353   110.53850    60.01535
   75    72 S   HC   _H38    72     1.09324   110.53356   -60.01957
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  18   8   2   1   1  12   6   5  13   8  10   4   3   7   3   2
   1  12  16   8   4   1   1  14   5   4  16   7  12   7   4   3
   2   1   1   7   3   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    65    41    42    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    45    50    62    65    66    67    41    42    46    47    48    49  
   38    39    40    43    65    41    42    46  
   36    37  
   37  
    0  
   39    40    43    44    45    50    51    65    41    42    46    53  
   40    43    44    45    50    41  
   43    44    45    50    41  
   42    46    47    48    49    43    59    62    63    64    65    66    67  
   46    47    48    49    62    65    66    67  
   44    45    50    51    52    56    59    53    54    55  
   45    50    51    53  
   50    51    53  
   47    48    49    62    65    66    67  
   48    49    65  
   49    65  
   65  
   51    52    56    57    58    61    59    60    62    53    54    55  
   52    56    57    58    61    59    60    62    63    64    65    68    72    53    54    55  
   56    57    58    61    59    60    62    53  
   54    55    56    59  
   55  
    0  
   57    58    61    59    60    62    68    69    70    71    72    73    74    75  
   58    61    59    68    72  
   61    59    68    72  
   60    62    63    64    65    66    67    68    69    70    71    72    73    74    75    61  
   62    63    64    65    68    72    61  
   62    63    64    65    68    69    70    71    72    73    74    75  
   63    64    65    66    67    68    72  
   64    65    66    67  
   65    66    67  
   66    67  
   67  
    0  
   69    70    71    72    73    74    75  
   70    71    72  
   71    72  
   72  
   73    74    75  
   74    75  
   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   4.2000   0.3000  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   2.4200   0.0300   0.115000   1.4250   1.2500   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  -0.118800   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.117600   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5000   0.0660  -0.061200   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.121200   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.121200   1.9750   1.7500   0.005000000  -0.741685710
   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   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    50   317.000  1.510
   50    51   317.000  1.510
   50    53   549.000  1.340
   51    52   340.000  1.090
   51    56   268.000  1.529
   51    59   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    61   268.000  1.529
   61    59   268.000  1.529
   61    68   260.000  1.519
   61    72   260.000  1.519
   59    60   340.000  1.090
   59    62   260.000  1.519
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    41   268.000  1.529
   41    42   570.000  1.307
   41    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   53    54   340.000  1.080
   53    55   340.000  1.080
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    58.35000  112.70000
   33    41    65    58.35000  112.70000
   33    41    42    50.00000  109.50000
   33    41    46    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    43    44    37.50000  110.70000
   38    43    45    37.50000  110.70000
   38    43    50    70.00000  112.02700
   40    38    39    33.00000  107.80000
   43    38    39    37.50000  110.70000
   43    38    40    37.50000  110.70000
   43    50    51    65.00000  117.92700
   43    50    53    70.00000  124.00000
   45    43    44    33.00000  107.80000
   50    43    44    35.00000  109.50000
   50    43    45    35.00000  109.50000
   50    51    52    35.00000  109.50000
   50    51    56    70.00000  112.02700
   50    51    59    70.00000  112.02700
   50    53    54    35.00000  120.00000
   50    53    55    35.00000  120.00000
   51    56    57    37.50000  110.70000
   51    56    58    37.50000  110.70000
   51    56    61    63.00000   92.00000
   51    59    61    63.00000   92.00000
   51    59    60    37.50000  110.70000
   51    59    62    65.00000  119.52000
   56    51    52    37.50000  110.70000
   56    61    59    63.00000   92.00000
   56    61    68    65.00000  119.52000
   56    61    72    65.00000  119.52000
   58    56    57    33.00000  107.80000
   61    56    57    37.50000  110.70000
   61    56    58    37.50000  110.70000
   61    59    60    37.50000  110.70000
   61    59    62    65.00000  119.52000
   61    68    69    45.00000  111.22300
   61    68    70    45.00000  111.22300
   61    68    71    45.00000  111.22300
   61    72    73    45.00000  111.22300
   61    72    74    45.00000  111.22300
   61    72    75    45.00000  111.22300
   59    51    52    37.50000  110.70000
   59    51    56    63.00000   92.00000
   59    62    63    45.00000  111.22300
   59    62    64    45.00000  111.22300
   59    62    65    70.00000  112.98000
   62    59    60    45.00000  112.72800
   62    65    66    37.50000  110.70000
   62    65    67    37.50000  110.70000
   62    65    41    58.35000  112.70000
   64    62    63    33.00000  107.80000
   65    62    63    37.50000  110.70000
   65    62    64    37.50000  110.70000
   65    41    42    50.00000  109.50000
   65    41    46    58.35000  112.70000
   67    65    66    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    65    66    37.50000  110.70000
   41    65    67    37.50000  110.70000
   41    46    47    37.50000  110.70000
   41    46    48    37.50000  110.70000
   41    46    49    37.50000  110.70000
   46    41    42    50.00000  109.50000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
   68    61    59    65.00000  119.52000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   72    61    59    65.00000  119.52000
   72    61    68    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   53    50    51    70.00000  124.00000
   55    53    54    35.00000  117.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    43   0.44750  1.0 1.0
   29    33    38    43  -0.17800 -1.0 2.0
   29    33    38    43   0.20200  1.0 3.0
   29    33    41    65   0.44750  1.0 1.0
   29    33    41    65  -0.17800 -1.0 2.0
   29    33    41    65   0.20200  1.0 3.0
   29    33    41    42   0.56750  1.0 1.0
   29    33    41    42  -0.07550 -1.0 2.0
   29    33    41    42   0.20000  1.0 3.0
   29    33    41    46   0.44750  1.0 1.0
   29    33    41    46  -0.17800 -1.0 2.0
   29    33    41    46   0.20200  1.0 3.0
   33    38    43    44   0.15000  1.0 3.0
   33    38    43    45   0.15000  1.0 3.0
   33    38    43    50   0.34400  1.0 1.0
   33    38    43    50   0.09450 -1.0 2.0
   33    38    43    50   0.11100  1.0 3.0
   33    41    46    47   0.15000  1.0 3.0
   33    41    46    48   0.15000  1.0 3.0
   33    41    46    49   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    43   0.15000  1.0 3.0
   34    33    41    65   0.15000  1.0 3.0
   34    33    41    42   0.23400  1.0 3.0
   34    33    41    46   0.15000  1.0 3.0
   38    33    41    65   0.56750  1.0 1.0
   38    33    41    65  -0.07550 -1.0 2.0
   38    33    41    65   0.20000  1.0 3.0
   38    33    41    42   0.62750  1.0 1.0
   38    33    41    42  -0.30950 -1.0 2.0
   38    33    41    42   0.27300  1.0 3.0
   38    33    41    46   0.56750  1.0 1.0
   38    33    41    46  -0.07550 -1.0 2.0
   38    33    41    46   0.20000  1.0 3.0
   38    43    50    51   0.46850  1.0 1.0
   38    43    50    51   0.08550 -1.0 2.0
   38    43    50    51   0.09800  1.0 3.0
   38    43    50    53   0.09850  1.0 1.0
   38    43    50    53   0.15250 -1.0 2.0
   38    43    50    53  -0.50650  1.0 3.0
   39    38    43    44   0.15000  1.0 3.0
   39    38    43    45   0.15000  1.0 3.0
   39    38    43    50   0.15000  1.0 3.0
   40    38    43    44   0.15000  1.0 3.0
   40    38    43    45   0.15000  1.0 3.0
   40    38    43    50   0.15000  1.0 3.0
   43    50    51    52   0.34800  1.0 3.0
   43    50    51    56   0.46850  1.0 1.0
   43    50    51    56   0.08550 -1.0 2.0
   43    50    51    56   0.09800  1.0 3.0
   43    50    51    59   0.46850  1.0 1.0
   43    50    51    59   0.08550 -1.0 2.0
   43    50    51    59   0.09800  1.0 3.0
   43    50    53    54   7.00000 -1.0 2.0
   43    50    53    55   7.00000 -1.0 2.0
   44    43    50    51   0.34800  1.0 3.0
   44    43    50    53   0.00000  1.0 1.0
   45    43    50    51   0.34800  1.0 3.0
   45    43    50    53   0.00000  1.0 1.0
   50    51    56    57   0.15000  1.0 3.0
   50    51    56    58   0.15000  1.0 3.0
   50    51    56    61   0.34400  1.0 1.0
   50    51    56    61   0.09450 -1.0 2.0
   50    51    56    61   0.11100  1.0 3.0
   50    51   -59    61   0.34400  1.0 1.0
   50    51   -59    61   0.09450 -1.0 2.0
   50    51   -59    61   0.11100  1.0 3.0
   50    51    59    60   0.15000  1.0 3.0
   50    51    59    62   0.34400  1.0 1.0
   50    51    59    62   0.09450 -1.0 2.0
   50    51    59    62   0.11100  1.0 3.0
   51    50    53    54   7.00000 -1.0 2.0
   51    50    53    55   7.00000 -1.0 2.0
   51    56   -61    59   0.00000  1.0 1.0
   51    56    61    68  -0.70950  1.0 1.0
   51    56    61    68   0.38400 -1.0 2.0
   51    56    61    72  -0.70950  1.0 1.0
   51    56    61    72   0.38400 -1.0 2.0
   51    59    62    63   0.00000  1.0 1.0
   51    59    62    64   0.00000  1.0 1.0
   51    59    62    65   0.04050  1.0 1.0
   51    59    62    65   0.63700 -1.0 2.0
   51    59    62    65   0.17650  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    61   0.15000  1.0 3.0
   52    51   -59    61   0.15000  1.0 3.0
   52    51    59    60   0.15000  1.0 3.0
   52    51    59    62   0.15000  1.0 3.0
   56    51   -59    61   0.00000  1.0 1.0
   56    51    59    60   0.15000  1.0 3.0
   56    51    59    62  -0.70950  1.0 1.0
   56    51    59    62   0.38400 -1.0 2.0
   56    61   -59    51   0.00000  1.0 1.0
   56    61   -59    60   0.15000  1.0 3.0
   56    61   -59    62  -0.70950  1.0 1.0
   56    61   -59    62   0.38400 -1.0 2.0
   56    61    68    69   0.00000  1.0 1.0
   56    61    68    70   0.00000  1.0 1.0
   56    61    68    71   0.00000  1.0 1.0
   56    61    72    73   0.00000  1.0 1.0
   56    61    72    74   0.00000  1.0 1.0
   56    61    72    75   0.00000  1.0 1.0
   57    56    61    59   0.15000  1.0 3.0
   57    56    61    68   0.15000  1.0 3.0
   57    56    61    72   0.15000  1.0 3.0
   58    56    61    59   0.15000  1.0 3.0
   58    56    61    68   0.15000  1.0 3.0
   58    56    61    72   0.15000  1.0 3.0
   61    59    62    63   0.00000  1.0 1.0
   61    59    62    64   0.00000  1.0 1.0
   61    59    62    65   0.04050  1.0 1.0
   61    59    62    65   0.63700 -1.0 2.0
   61    59    62    65   0.17650  1.0 3.0
   59    51   -56    57   0.15000  1.0 3.0
   59    51   -56    58   0.15000  1.0 3.0
   59    51   -56    61   0.00000  1.0 1.0
   59    61    68    69   0.00000  1.0 1.0
   59    61    68    70   0.00000  1.0 1.0
   59    61    68    71   0.00000  1.0 1.0
   59    61    72    73   0.00000  1.0 1.0
   59    61    72    74   0.00000  1.0 1.0
   59    61    72    75   0.00000  1.0 1.0
   59    62    65    66   0.15000  1.0 3.0
   59    62    65    67   0.15000  1.0 3.0
   59    62    65    41   0.31550 -1.0 2.0
   59    62    65    41   0.11250  1.0 3.0
   60    59    62    63   0.15000  1.0 3.0
   60    59    62    64   0.15000  1.0 3.0
   60    59    62    65   0.15000  1.0 3.0
   62    65    41    33   0.56750  1.0 1.0
   62    65    41    33  -0.07550 -1.0 2.0
   62    65    41    33   0.20000  1.0 3.0
   62    65    41    42   0.62750  1.0 1.0
   62    65    41    42  -0.30950 -1.0 2.0
   62    65    41    42   0.27300  1.0 3.0
   62    65    41    46   0.56750  1.0 1.0
   62    65    41    46  -0.07550 -1.0 2.0
   62    65    41    46   0.20000  1.0 3.0
   63    62    65    66   0.15000  1.0 3.0
   63    62    65    67   0.15000  1.0 3.0
   63    62    65    41   0.15000  1.0 3.0
   64    62    65    66   0.15000  1.0 3.0
   64    62    65    67   0.15000  1.0 3.0
   64    62    65    41   0.15000  1.0 3.0
   65    41    46    47   0.15000  1.0 3.0
   65    41    46    48   0.15000  1.0 3.0
   65    41    46    49   0.15000  1.0 3.0
   66    65    41    33   0.15000  1.0 3.0
   66    65    41    42   0.23400  1.0 3.0
   66    65    41    46   0.15000  1.0 3.0
   67    65    41    33   0.15000  1.0 3.0
   67    65    41    42   0.23400  1.0 3.0
   67    65    41    46   0.15000  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    43   0.56750  1.0 1.0
   41    33    38    43  -0.07550 -1.0 2.0
   41    33    38    43   0.20000  1.0 3.0
   42    41    46    47   0.23400  1.0 3.0
   42    41    46    48   0.23400  1.0 3.0
   42    41    46    49   0.23400  1.0 3.0
   68    61   -59    51  -0.70950  1.0 1.0
   68    61   -59    51   0.38400 -1.0 2.0
   68    61    59    60   0.15000  1.0 3.0
   68    61    59    62   0.56750  1.0 1.0
   68    61    59    62  -0.07550 -1.0 2.0
   68    61    59    62   0.20000  1.0 3.0
   68    61    72    73   0.15000  1.0 3.0
   68    61    72    74   0.15000  1.0 3.0
   68    61    72    75   0.15000  1.0 3.0
   72    61   -59    51  -0.70950  1.0 1.0
   72    61   -59    51   0.38400 -1.0 2.0
   72    61    59    60   0.15000  1.0 3.0
   72    61    59    62   0.56750  1.0 1.0
   72    61    59    62  -0.07550 -1.0 2.0
   72    61    59    62   0.20000  1.0 3.0
   72    61    68    69   0.15000  1.0 3.0
   72    61    68    70   0.15000  1.0 3.0
   72    61    68    71   0.15000  1.0 3.0
   53    50    51    52   0.00000  1.0 1.0
   53    50    51    56   0.09850  1.0 1.0
   53    50    51    56   0.15250 -1.0 2.0
   53    50    51    56  -0.50650  1.0 3.0
   53    50    51    59   0.09850  1.0 1.0
   53    50    51    59   0.15250 -1.0 2.0
   53    50    51    59  -0.50650  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
   37    30    35    36  10.50000 -1.0 2.0
   43    51    50    53   1.10000 -1.0 2.0
   54    55    53    50   1.10000 -1.0 2.0
END
