* LIGAND DATABASE FILE (OPLS2005)
*
001      76    77    137    215     415
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02094    91.84483   -66.03792
    3     1 S   H    _H1_     3     1.02056    88.67681    42.65416
    4     1 S   H    _H2_     4     1.02106    32.92756   171.40714
    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     1.04724   118.98282     8.58904
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08448   106.40438   -11.12153
   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     1.08733   110.25787    59.12705
   26    24 S   HC   HB22    34     1.08755   109.66015   178.75008
   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     1.83230    98.15764   161.78994
   34    33 S   HC   _H3_    37     1.09586   106.05973   -39.94122
   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     1.52921   110.62698  -160.00669
   39    38 S   HC   _H27    39     1.09647   113.13487   -53.95664
   40    38 S   OS   _O16    40     1.42796   110.64826  -176.98221
   41    38 S   C    _C5_    73     1.49503   112.42873    69.89979
   42    41 S   O    _O14    74     1.22236   125.03527    83.82405
   43    40 S   CO   _C15    41     1.42527   112.43578    63.09872
   44    43 S   HC   _H35    42     1.09763   110.31727    60.53783
   45    41 S   OH   _O18    75     1.35510   110.70526   -96.09174
   46    45 S   HO   _H37    76     0.98088   111.94236   179.86878
   47    43 S   CT   _C12    43     1.52783   110.06580   -62.36977
   48    47 S   HC   _H32    44     1.10397   110.14352   -67.29267
   49    43 S   OS   _O24    51     1.42717   109.79600   178.92135
   50    33 S   CT   _C10    45     1.53399   109.67942    77.67261
   51    50 S   HC   _H30    46     1.09749   111.54627    49.27683
   52    47 S   OH   _O22    49     1.42907   109.45672   175.83835
   53    52 S   HO   _H41    50     0.96893   106.32740   -62.50636
   54    49 S   CT   _C8_    52     1.43169   111.30986   -60.11480
   55    54 S   HC   _H28    53     1.09475   106.79094     0.04846
   56    50 S   OH   _O20    47     1.42862   110.05535   -69.77543
   57    56 S   HO   _H39    48     0.96882   106.39771   -61.02644
   58    54 S   CT   _C6_    54     1.52348   108.94287   120.77242
   59    58 S   HC   _H26    55     1.09053   111.35142  -176.76064
   60    58 S   OS   _O15    56     1.42607   110.44457    59.95774
   61    58 S   C    _C4_    69     1.51375   109.49458   -57.96551
   62    61 S   O    _O13    70     1.22117   125.08013    88.90193
   63    60 S   CO   _C14    57     1.42747   112.39583    63.48554
   64    63 S   HC   _H34    58     1.09832   109.77984    63.28615
   65    61 S   OH   _O17    71     1.35558   110.65073   -90.99585
   66    65 S   HO   _H36    72     0.98074   111.94202   179.88297
   67    63 S   CT   _C11    59     1.53288   111.24566   -59.65083
   68    67 S   HC   _H31    60     1.09585   110.70275   -70.75378
   69    63 S   OH   _O23    67     1.42710   109.77981  -178.95283
   70    69 S   HO   _H42    68     0.96992   106.45873   -58.64928
   71    54 S   CT   _C9_    61     1.52929   109.16266  -120.27238
   72    71 S   HC   _H29    62     1.09699   109.63375   172.45057
   73    67 S   OH   _O21    65     1.42751   108.16352   172.41571
   74    73 S   HO   _H40    66     0.96936   106.47180   -60.97970
   75    71 S   OH   _O19    63     1.42550   108.90685    55.80813
   76    75 S   HO   _H38    64     0.97002   106.55715    59.96253
  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
  15   8   2   1   1  13   6  11   5   2  13   6   1   1   9   6
  12   5   3   2   1  15   8   1   1  13   6  11   5   2  10   6
   1   1   9   6   3   1   5   3   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    47    50    51    56    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    47    48    50    51    56    57    52    41    42    45  
   38    39    40    47    50    51    56    41  
   36    37  
   37  
    0  
   39    40    43    44    47    50    51    56    49    41    42    45    46  
   40    43    50    41    42    45  
   43    44    47    48    50    52    49    54    41    42    45  
   42    45    46    43    50  
   45    46  
   44    47    48    50    51    56    52    53    49    54    55    58    71  
   47    48    50    52    49    54  
   46  
    0  
   48    50    51    56    57    52    53    49    54  
   50    51    56    52    53    49  
   54    55    58    59    60    67    71    72    75    61    50    52  
   51    56    57    52    53  
   56    57    52  
   53    56  
    0  
   55    58    59    60    63    67    68    71    72    75    76    73    61    62    65  
   58    59    60    67    71    72    75    61  
   57  
    0  
   59    60    63    64    67    71    72    75    69    61    62    65    66  
   60    63    71    61    62    65  
   63    64    67    68    71    73    69    70    61    62    65  
   62    65    66    63    71  
   65    66  
   64    67    68    71    72    75    73    74    69    70  
   67    68    71    73    69    70  
   66  
    0  
   68    71    72    75    76    73    74    69    70  
   71    72    75    73    74    69  
   70    71    73  
    0  
   72    75    76    73    74  
   75    76    73  
   74    75  
    0  
   76  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   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   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   40   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   41   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   43   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   45   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   57   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   58   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   60   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   63   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   65   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    50   268.000  1.529
   38    39   340.000  1.090
   38    40   320.000  1.410
   38    41   317.000  1.522
   40    43   320.000  1.380
   43    44   340.000  1.090
   43    47   250.000  1.527
   43    49   320.000  1.380
   47    48   340.000  1.090
   47    50   268.000  1.529
   47    52   320.000  1.410
   50    51   340.000  1.090
   50    56   320.000  1.410
   56    57   553.000  0.945
   52    53   553.000  0.945
   49    54   320.000  1.410
   54    55   340.000  1.090
   54    58   268.000  1.529
   54    71   268.000  1.529
   58    59   340.000  1.090
   58    60   320.000  1.410
   58    61   317.000  1.522
   60    63   320.000  1.380
   63    64   340.000  1.090
   63    67   250.000  1.527
   63    69   380.000  1.407
   67    68   340.000  1.090
   67    71   268.000  1.529
   67    73   320.000  1.410
   71    72   340.000  1.090
   71    75   320.000  1.410
   75    76   553.000  0.945
   73    74   553.000  0.945
   69    70   553.000  0.945
   61    62   570.000  1.229
   61    65   450.000  1.364
   65    66   553.000  0.945
   41    42   570.000  1.229
   41    45   450.000  1.364
   45    46   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    50    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    50.00000  109.50000
   33    38    41    63.00000  111.10000
   33    50    47    58.35000  112.70000
   33    50    51    37.50000  110.70000
   33    50    56    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    43    60.00000  109.50000
   38    41    42    80.00000  120.40000
   38    41    45    70.00000  108.00000
   40    38    39    35.00000  109.50000
   40    43    44    35.00000  109.50000
   40    43    47    90.00000  108.56700
   40    43    49    92.60000  111.55000
   43    47    48    45.00000  108.72000
   43    47    50    75.00000  109.43000
   43    47    52    90.00000  111.58700
   43    49    54    60.00000  109.50000
   47    43    44    45.00000  112.01100
   47    50    51    37.50000  110.70000
   47    50    56    50.00000  109.50000
   47    52    53    55.00000  108.50000
   50    33    34    37.50000  110.70000
   50    33    38    58.35000  112.70000
   50    47    48    37.50000  110.70000
   50    56    57    55.00000  108.50000
   56    50    51    35.00000  109.50000
   52    47    48    35.00000  109.50000
   52    47    50    50.00000  109.50000
   49    43    44    35.00000  109.50000
   49    43    47    90.00000  108.56700
   49    54    55    35.00000  109.50000
   49    54    58    50.00000  109.50000
   49    54    71    50.00000  109.50000
   54    58    59    37.50000  110.70000
   54    58    60    50.00000  109.50000
   54    58    61    63.00000  111.10000
   54    71    67    58.35000  112.70000
   54    71    72    37.50000  110.70000
   54    71    75    50.00000  109.50000
   58    54    55    37.50000  110.70000
   58    60    63    60.00000  109.50000
   58    61    62    80.00000  120.40000
   58    61    65    70.00000  108.00000
   60    58    59    35.00000  109.50000
   60    63    64    35.00000  109.50000
   60    63    67    90.00000  108.56700
   60    63    69   110.00000  112.08000
   63    67    68    45.00000  108.72000
   63    67    71    75.00000  109.43000
   63    67    73    90.00000  111.58700
   63    69    70    70.00000  107.92000
   67    63    64    45.00000  112.01100
   67    71    72    37.50000  110.70000
   67    71    75    50.00000  109.50000
   67    73    74    55.00000  108.50000
   71    54    55    37.50000  110.70000
   71    54    58    58.35000  112.70000
   71    67    68    37.50000  110.70000
   71    75    76    55.00000  108.50000
   75    71    72    35.00000  109.50000
   73    67    68    35.00000  109.50000
   73    67    71    50.00000  109.50000
   69    63    64    60.00000  108.02500
   69    63    67    90.00000  110.19100
   61    58    59    35.00000  109.50000
   61    58    60    90.00000  108.55600
   61    65    66    35.00000  113.00000
   65    61    62   100.00000  123.32000
   41    38    39    35.00000  109.50000
   41    38    40    90.00000  108.55600
   41    45    46    35.00000  113.00000
   45    41    42   100.00000  123.32000
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    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    50    47   0.44750  1.0 1.0
   29    33    50    47  -0.17800 -1.0 2.0
   29    33    50    47   0.20200  1.0 3.0
   29    33    50    51   0.15000  1.0 3.0
   29    33    50    56   0.56750  1.0 1.0
   29    33    50    56  -0.07550 -1.0 2.0
   29    33    50    56   0.20000  1.0 3.0
   33    38    40    43   0.06250  1.0 1.0
   33    38    40    43  -0.01100 -1.0 2.0
   33    38    40    43   0.28050  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38    41    45   0.50000  1.0 1.0
   33    38    41    45   0.27300 -1.0 2.0
   33    38    41    45   0.22500  1.0 3.0
   33    50    56    57  -0.11600  1.0 1.0
   33    50    56    57  -0.09450 -1.0 2.0
   33    50    56    57   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.23400  1.0 3.0
   34    33    38    41  -0.11250  1.0 3.0
   34    33    50    47   0.15000  1.0 3.0
   34    33    50    51   0.15000  1.0 3.0
   34    33    50    56   0.23400  1.0 3.0
   38    33    50    47   0.56750  1.0 1.0
   38    33    50    47  -0.07550 -1.0 2.0
   38    33    50    47   0.20000  1.0 3.0
   38    33    50    51   0.15000  1.0 3.0
   38    33    50    56   0.86500  1.0 1.0
   38    33    50    56  -0.17500 -1.0 2.0
   38    33    50    56   0.20800  1.0 3.0
   38    40    43    44   0.37050  1.0 3.0
   38    40   -43    47   0.06250  1.0 1.0
   38    40   -43    47  -0.01100 -1.0 2.0
   38    40   -43    47   0.28050  1.0 3.0
   38    40    43    49  -0.81800  1.0 1.0
   38    41    45    46   1.50000  1.0 1.0
   38    41    45    46   2.45000 -1.0 2.0
   39    38    40    43   0.37050  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    45   0.00000  1.0 1.0
   40    38    41    42   0.30150 -1.0 2.0
   40    38    41    45   0.40000  1.0 3.0
   40    43    47    48   0.23400  1.0 3.0
   40    43    47    50   0.62750  1.0 1.0
   40    43    47    50  -0.30950 -1.0 2.0
   40    43    47    50   0.27300  1.0 3.0
   40    43    47    52   3.69350  1.0 1.0
   40    43    47    52  -1.82950 -1.0 2.0
   40    43    49    54  -0.53350  1.0 1.0
   40    43    49    54  -0.78350 -1.0 2.0
   40    43    49    54   0.33750  1.0 3.0
   43    47   -50    33   3.97050  1.0 1.0
   43    47    50    51   0.15000  1.0 3.0
   43    47    50    56   0.86500  1.0 1.0
   43    47    50    56  -0.17500 -1.0 2.0
   43    47    50    56   0.20800  1.0 3.0
   43    47    52    53  -0.11600  1.0 1.0
   43    47    52    53  -0.09450 -1.0 2.0
   43    47    52    53   0.21250  1.0 3.0
   43    49    54    55   0.37050  1.0 3.0
   43    49    54    58   0.06250  1.0 1.0
   43    49    54    58  -0.01100 -1.0 2.0
   43    49    54    58   0.28050  1.0 3.0
   43    49    54    71   0.06250  1.0 1.0
   43    49    54    71  -0.01100 -1.0 2.0
   43    49    54    71   0.28050  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    50   0.15000  1.0 3.0
   44    43    47    52   0.23400  1.0 3.0
   44    43    49    54   0.37050  1.0 3.0
   47    43    49    54   0.06250  1.0 1.0
   47    43    49    54  -0.01100 -1.0 2.0
   47    43    49    54   0.28050  1.0 3.0
   47    50    56    57  -0.11600  1.0 1.0
   47    50    56    57  -0.09450 -1.0 2.0
   47    50    56    57   0.21250  1.0 3.0
   48    47    50    33   0.15000  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    56   0.23400  1.0 3.0
   48    47    52    53   0.19450  1.0 3.0
   50    33    38    39   0.15000  1.0 3.0
   50    33   -38    40   0.62750  1.0 1.0
   50    33   -38    40  -0.30950 -1.0 2.0
   50    33   -38    40   0.27300  1.0 3.0
   50    33    38    41  -0.95700  1.0 1.0
   50    33    38    41  -0.18200 -1.0 2.0
   50    33    38    41   0.29450  1.0 3.0
   50    47    52    53  -0.11600  1.0 1.0
   50    47    52    53  -0.09450 -1.0 2.0
   50    47    52    53   0.21250  1.0 3.0
   51    50    56    57   0.19450  1.0 3.0
   52    47    50    33   0.86500  1.0 1.0
   52    47    50    33  -0.17500 -1.0 2.0
   52    47    50    33   0.20800  1.0 3.0
   52    47    50    51   0.23400  1.0 3.0
   52    47    50    56   3.75450  1.0 1.0
   49    43    47    48   0.23400  1.0 3.0
   49    43    47    50   0.62750  1.0 1.0
   49    43    47    50  -0.30950 -1.0 2.0
   49    43    47    50   0.27300  1.0 3.0
   49    43    47    52   3.69350  1.0 1.0
   49    43    47    52  -1.82950 -1.0 2.0
   49    54    58    59   0.23400  1.0 3.0
   49    54    58    60   1.11900  1.0 1.0
   49    54    58    60  -1.16350 -1.0 2.0
   49    54    58    60  -0.34150  1.0 3.0
   49    54    58    61  -0.09450  1.0 1.0
   49    54    58    61  -1.12950 -1.0 2.0
   49    54    58    61   0.54000  1.0 3.0
   49    54    71    67   0.62750  1.0 1.0
   49    54    71    67  -0.30950 -1.0 2.0
   49    54    71    67   0.27300  1.0 3.0
   49    54    71    72   0.23400  1.0 3.0
   49    54    71    75   3.69350  1.0 1.0
   49    54    71    75  -1.82950 -1.0 2.0
   54    58    60    63   0.06250  1.0 1.0
   54    58    60    63  -0.01100 -1.0 2.0
   54    58    60    63   0.28050  1.0 3.0
   54    58    61    62   0.30150 -1.0 2.0
   54    58    61    65   0.50000  1.0 1.0
   54    58    61    65   0.27300 -1.0 2.0
   54    58    61    65   0.22500  1.0 3.0
   54    71    75    76  -0.11600  1.0 1.0
   54    71    75    76  -0.09450 -1.0 2.0
   54    71    75    76   0.21250  1.0 3.0
   55    54    58    59   0.15000  1.0 3.0
   55    54    58    60   0.23400  1.0 3.0
   55    54    58    61  -0.11250  1.0 3.0
   55    54    71    67   0.15000  1.0 3.0
   55    54    71    72   0.15000  1.0 3.0
   55    54    71    75   0.23400  1.0 3.0
   58    54    71    67   0.56750  1.0 1.0
   58    54    71    67  -0.07550 -1.0 2.0
   58    54    71    67   0.20000  1.0 3.0
   58    54    71    72   0.15000  1.0 3.0
   58    54    71    75   0.86500  1.0 1.0
   58    54    71    75  -0.17500 -1.0 2.0
   58    54    71    75   0.20800  1.0 3.0
   58    60    63    64   0.37050  1.0 3.0
   58    60   -63    67   0.06250  1.0 1.0
   58    60   -63    67  -0.01100 -1.0 2.0
   58    60   -63    67   0.28050  1.0 3.0
   58    60    63    69  -0.81800  1.0 1.0
   58    61    65    66   1.50000  1.0 1.0
   58    61    65    66   2.45000 -1.0 2.0
   59    58    60    63   0.37050  1.0 3.0
   59    58    61    62   0.00000  1.0 1.0
   59    58    61    65   0.00000  1.0 1.0
   60    58    61    62   0.30150 -1.0 2.0
   60    58    61    65   0.40000  1.0 3.0
   60    63    67    68   0.23400  1.0 3.0
   60    63    67    71   0.62750  1.0 1.0
   60    63    67    71  -0.30950 -1.0 2.0
   60    63    67    71   0.27300  1.0 3.0
   60    63    67    73   3.69350  1.0 1.0
   60    63    67    73  -1.82950 -1.0 2.0
   60    63    69    70  -0.50000  1.0 1.0
   60    63    69    70  -0.73950 -1.0 2.0
   60    63    69    70   0.17150  1.0 3.0
   63    67   -71    54   3.97050  1.0 1.0
   63    67    71    72   0.15000  1.0 3.0
   63    67    71    75   0.86500  1.0 1.0
   63    67    71    75  -0.17500 -1.0 2.0
   63    67    71    75   0.20800  1.0 3.0
   63    67    73    74  -0.11600  1.0 1.0
   63    67    73    74  -0.09450 -1.0 2.0
   63    67    73    74   0.21250  1.0 3.0
   64    63    67    68   0.15000  1.0 3.0
   64    63    67    71   0.15000  1.0 3.0
   64    63    67    73   0.23400  1.0 3.0
   64    63    69    70   0.19450  1.0 3.0
   67    63    69    70  -0.11600  1.0 1.0
   67    63    69    70  -0.09450 -1.0 2.0
   67    63    69    70   0.21250  1.0 3.0
   67    71    75    76  -0.11600  1.0 1.0
   67    71    75    76  -0.09450 -1.0 2.0
   67    71    75    76   0.21250  1.0 3.0
   68    67    71    54   0.15000  1.0 3.0
   68    67    71    72   0.15000  1.0 3.0
   68    67    71    75   0.23400  1.0 3.0
   68    67    73    74   0.19450  1.0 3.0
   71    54    58    59   0.15000  1.0 3.0
   71    54   -58    60   0.62750  1.0 1.0
   71    54   -58    60  -0.30950 -1.0 2.0
   71    54   -58    60   0.27300  1.0 3.0
   71    54    58    61  -0.95700  1.0 1.0
   71    54    58    61  -0.18200 -1.0 2.0
   71    54    58    61   0.29450  1.0 3.0
   71    67    73    74  -0.11600  1.0 1.0
   71    67    73    74  -0.09450 -1.0 2.0
   71    67    73    74   0.21250  1.0 3.0
   72    71    75    76   0.19450  1.0 3.0
   73    67    71    54   0.86500  1.0 1.0
   73    67    71    54  -0.17500 -1.0 2.0
   73    67    71    54   0.20800  1.0 3.0
   73    67    71    72   0.23400  1.0 3.0
   73    67    71    75   3.75450  1.0 1.0
   69    63    67    68   0.23400  1.0 3.0
   69    63    67    71   0.86500  1.0 1.0
   69    63    67    71  -0.17500 -1.0 2.0
   69    63    67    71   0.20800  1.0 3.0
   69    63    67    73   3.75450  1.0 1.0
   61    58    60    63  -1.11000  1.0 1.0
   61    58    60    63   0.50250 -1.0 2.0
   61    58    60    63   0.47450  1.0 3.0
   62    61    65    66   0.92200  1.0 1.0
   62    61    65    66   3.74100 -1.0 2.0
   41    38    40    43  -1.11000  1.0 1.0
   41    38    40    43   0.50250 -1.0 2.0
   41    38    40    43   0.47450  1.0 3.0
   42    41    45    46   0.92200  1.0 1.0
   42    41    45    46   3.74100 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   58    65    61    62  10.50000 -1.0 2.0
   38    45    41    42  10.50000 -1.0 2.0
END
