* LIGAND DATABASE FILE (OPLS2005)
*
001      70    72    128    208     381
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02084    85.39086   -76.20895
    3     1 S   H    _H1_     3     1.02081    94.72657    32.17120
    4     1 S   H    _H2_     4     1.02160    33.67125   149.27329
    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   _C14    36     1.80543    98.16150   161.78140
   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   CD   _C6_    37     1.51152   108.86996    39.99743
   38    37 S   HC   _H24    38     1.10048   121.36616    48.82418
   39    33 S   CT   _C15    52     1.52762   110.52275   158.48144
   40    39 S   HC   _H29    53     1.08132   108.69729    60.98652
   41    39 S   HC   _H30    54     1.08073   108.97443   -59.64825
   42    37 S   NI   _N13    39     1.29404   115.52262  -134.10855
   43    39 S   NTH  _N17    55     1.42424   109.73843  -179.42973
   44    43 S   H    _H34    56     1.03001   110.98709   -58.74800
   45    42 S   CG   _C7_    40     1.36419   105.45894     1.74316
   46    43 S   CT   _C10    57     1.45526   112.10431  -179.17623
   47    46 S   HC   _H25    58     1.09873   109.63617    43.83499
   48    33 S   CT   _C12    41     1.54352   112.16365   -69.71875
   49    48 S   HC   _H27    42     1.09992   111.18326    25.71221
   50    46 S   CM   _C4_    59     1.50138   114.03713   -77.66518
   51    50 S   HC   _H22    60     1.08043   124.44295    41.89805
   52    48 S   C    _C8_    43     1.51836   118.76377   -98.09086
   53    52 S   O    _O18    44     1.22836   121.05990    34.07412
   54    50 S   CM   _C5_    61     1.33901   111.34149  -141.57588
   55    54 S   HC   _H23    62     1.08035   124.38196  -176.69844
   56    52 S   NI   _N14    45     1.37995   116.41726  -152.23147
   57    54 S   CT   _C11    63     1.49579   111.10449     0.00000
   58    57 S   HC   _H26    64     1.09604   109.33264   -99.06260
   59    56 S   CDX  _C9_    46     1.30069   120.18488    21.43933
   60    46 S   CT   _C13    65     1.54208   113.26650   167.06579
   61    60 S   HC   _H28    66     1.09521   112.29206   -85.15304
   62    57 S   OH   _O19    69     1.41331   111.42485   139.88692
   63    62 S   HO   _H35    70     0.97366   107.22040    60.01608
   64    45 S   NIP  _N15    47     1.27414   126.95777  -164.83968
   65    64 S   H    _H31    48     1.01976   122.62604    -3.43792
   66    59 S   NE   _N16    49     1.36896   123.69638   179.03714
   67    66 S   H    _H32    50     0.99448   118.33443     0.05234
   68    66 S   H    _H33    51     0.99410   118.35401   179.97202
   69    60 S   OH   _O20    67     1.42967   110.28999    35.00205
   70    69 S   HO   _H36    68     0.96890   106.28131    60.02885
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  16   2   1   1  11   4  13   5   4   7  11   4   9  12   7   7
   4   9   4   5   2   8   4   6   7   5   5   5   3   2   1   4
   1   2   1   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    48    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    45    48    49    52    39    40    41    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    45    48    49    52    53    56    64    39    40    41    43    44    46  
   35    36  
   36  
    0  
   38    42    45    48    49    52    64    39    40    41    43  
   42    45    48    39  
   40    41    43    44    46    47    50    60    42    45    48    49    52  
   41    43    44    46    48  
   43    44    46    48  
   45    48    49    52    59    64    65  
   44    46    47    50    51    54    57    60    61    69    48  
   46    47    50    60  
   48    49    52    53    56    59    64    65    66  
   47    50    51    54    55    57    58    60    61    69    70    62  
   50    51    54    57    60    61    69  
   49    52    53    56    59    64    65  
   52    53    56    64  
   51    54    55    57    58    60    61    69    62  
   54    55    57    60  
   53    56    59    64    66  
   56    59  
   55    57    58    60    61    69    62    63  
   57    58    60    62  
   59    64    65    66    67    68  
   58    60    61    69    70    62    63  
   60    61    69    62    63  
   64    65    66    67    68  
   61    69    70    62    63  
   69    70    62  
   63    69  
    0  
   65    66    67    68  
   66  
   67    68  
   68  
    0  
   70  
    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   0.203600   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   3.7500   0.1050   0.313400   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.040200   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.2800   0.1700  -0.512200   1.8540   1.6400   0.005000000   0.000000000
   43   3.3000   0.1700  -0.780000   1.8650   1.6500   0.051222218  -2.220205820
   44   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.7500   0.1050   0.323300   2.0020   1.7750   0.023028004  -0.852763146
   46   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.275700   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.7500   0.1050   0.723800   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.617900   1.6780   1.4800   0.001000000  -0.126889456
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.2800   0.1700  -0.795000   1.9250   1.7000   0.054801302  -2.445846770
   57   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.7500   0.1050   0.876600   2.1120   1.8750   0.001000000  -0.126889456
   60   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.2500   0.1700  -0.639000   2.1120   1.8750   0.051222218  -2.220205820
   65   0.5000   0.0300   0.480000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.2500   0.1700  -0.285000   2.1120   1.8750   0.051222218  -2.220205820
   67   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   68   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   270.000  1.508
   33    48   268.000  1.529
   33    39   268.000  1.529
   37    38   370.000  1.093
   37    42   500.000  1.261
   42    45   440.000  1.338
   45    48   290.000  1.488
   45    64   635.000  1.286
   48    49   340.000  1.090
   48    52   317.000  1.522
   52    53   570.000  1.229
   52    56   415.000  1.368
   56    59   650.000  1.285
   59    64   335.000  1.413
   59    66   445.000  1.380
   64    65   490.000  1.015
   66    67   434.000  1.010
   66    68   434.000  1.010
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    43   305.000  1.454
   43    44   500.000  1.015
   43    46   305.000  1.454
   46    47   340.000  1.090
   46    50   317.000  1.510
   46    60   268.000  1.529
   50    51   340.000  1.080
   50    54   549.000  1.340
   54    55   340.000  1.080
   54    57   317.000  1.510
   57    58   340.000  1.090
   57    60   268.000  1.529
   57    62   320.000  1.410
   60    61   340.000  1.090
   60    69   320.000  1.410
   69    70   553.000  0.945
   62    63   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  114.43000
   29    33    48    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    40.00000  113.58700
   33    37    42    65.00000  122.10100
   33    48    45    70.00000  109.02000
   33    48    49    37.50000  110.70000
   33    48    52    63.00000  111.10000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    43    80.00000  111.29100
   37    42    45    75.00000  115.59000
   42    37    38    45.00000  120.55300
   42    45    48    65.00000  123.52000
   42    45    64    85.00000  118.94000
   45    48    49    45.00000  109.33400
   45    48    52    70.00000  108.20000
   45    64    59    70.00000  118.46000
   45    64    65    45.00000  118.89500
   48    33    37    70.00000  111.76100
   48    52    53    80.00000  120.40000
   48    52    56    80.00000  113.45100
   52    48    49    35.00000  109.50000
   52    56    59    75.00000  109.13600
   56    52    53    80.00000  126.08800
   56    59    64    75.00000  124.00000
   56    59    66    75.00000  124.36500
   59    64    65    45.00000  118.00000
   59    66    67    35.00000  119.50000
   59    66    68    35.00000  119.50000
   64    45    48    70.00000  120.65200
   66    59    64    70.00000  119.00000
   68    66    67    35.00000  109.00000
   39    33    37    70.00000  111.76100
   39    33    48    58.35000  112.70000
   39    43    44    50.00000  109.23200
   39    43    46    75.00000  112.02600
   41    39    40    33.00000  107.80000
   43    39    40    50.00000  110.59500
   43    39    41    50.00000  110.59500
   43    46    47    50.00000  110.59500
   43    46    50    75.00000  110.70900
   43    46    60    80.00000  111.29100
   46    43    44    50.00000  109.23200
   46    50    51    35.00000  117.00000
   46    50    54    70.00000  124.00000
   46    60    57    58.35000  112.70000
   46    60    61    37.50000  110.70000
   46    60    69    50.00000  109.50000
   50    46    47    35.00000  109.50000
   50    54    55    35.00000  120.00000
   50    54    57    70.00000  124.00000
   54    50    51    35.00000  120.00000
   54    57    58    35.00000  109.50000
   54    57    60    70.00000  112.02700
   54    57    62    90.00000  110.39200
   57    54    55    35.00000  117.00000
   57    60    61    37.50000  110.70000
   57    60    69    50.00000  109.50000
   57    62    63    55.00000  108.50000
   60    46    47    37.50000  110.70000
   60    46    50    70.00000  112.02700
   60    57    58    37.50000  110.70000
   60    69    70    55.00000  108.50000
   69    60    61    35.00000  109.50000
   62    57    58    35.00000  109.50000
   62    57    60    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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   0.00000  1.0 1.0
   29    33    37    42   0.00000  1.0 1.0
   29    33    48    45   0.56750  1.0 1.0
   29    33    48    45  -0.07550 -1.0 2.0
   29    33    48    45   0.20000  1.0 3.0
   29    33    48    49   0.15000  1.0 3.0
   29    33    48    52   0.56750  1.0 1.0
   29    33    48    52  -0.07550 -1.0 2.0
   29    33    48    52   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    37   -42    45   6.00000 -1.0 2.0
   33    48    52    53   0.30150 -1.0 2.0
   33    48    52    56   0.00000  1.0 1.0
   33    39    43    44   0.03200  1.0 1.0
   33    39    43    44   0.33800 -1.0 2.0
   33    39    43    46  -0.35450  1.0 1.0
   33    39    43    46   0.44050 -1.0 2.0
   33    39    43    46   0.77100  1.0 3.0
   37    33   -48    45   0.31000  1.0 1.0
   37    33   -48    45   0.14700 -1.0 2.0
   37    33   -48    45   0.07550  1.0 3.0
   37    33    48    49   0.15000  1.0 3.0
   37    33    48    52  -0.98800  1.0 1.0
   37    33    48    52   0.48800 -1.0 2.0
   37    33    48    52   0.76800  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    43   0.59950  1.0 1.0
   37    33    39    43  -0.21400 -1.0 2.0
   37    33    39    43   0.56200  1.0 3.0
   37    42   -45    48   6.00000 -1.0 2.0
   37    42    45    64   6.00000 -1.0 2.0
   38    37    42    45   4.00000 -1.0 2.0
   42    45   -48    33   0.00000  1.0 1.0
   42    45    48    49   0.00000  1.0 1.0
   42    45    48    52   0.00000  1.0 1.0
   42    45    64    59   2.00000 -1.0 2.0
   42    45    64    65   2.00000 -1.0 2.0
   45    48    52    53   0.30150 -1.0 2.0
   45    48    52    56   0.00000  1.0 1.0
   48    33    37    38   0.00000  1.0 1.0
   48    33   -37    42   0.00000  1.0 1.0
   48    33    39    40   0.15000  1.0 3.0
   48    33    39    41   0.15000  1.0 3.0
   48    33    39    43   1.53400  1.0 1.0
   48    33    39    43  -0.09950 -1.0 2.0
   48    33    39    43   0.05700  1.0 3.0
   48    45    64    59   2.00000 -1.0 2.0
   48    45    64    65   2.00000 -1.0 2.0
   48    52   -56    59   1.50000 -1.0 2.0
   49    48    52    53   0.00000  1.0 1.0
   49    48    52    56   0.00000  1.0 1.0
   52    56    59    64   6.00000 -1.0 2.0
   52    56    59    66   6.00000 -1.0 2.0
   53    52    56    59   3.09300 -1.0 2.0
   56    59   -64    45   5.00000 -1.0 2.0
   56    59    64    65   5.00000 -1.0 2.0
   56    59    66    67   1.50000 -1.0 2.0
   56    59    66    68   1.50000 -1.0 2.0
   64    45    48    33   0.00000  1.0 1.0
   64    45    48    49   0.00000  1.0 1.0
   64    45   -48    52   0.00000  1.0 1.0
   64    59    66    67   1.00000 -1.0 2.0
   64    59    66    68   1.00000 -1.0 2.0
   66    59    64    45   5.00000 -1.0 2.0
   66    59    64    65   5.00000 -1.0 2.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    42   0.00000  1.0 1.0
   39    33    48    45   0.34400  1.0 1.0
   39    33    48    45   0.09450 -1.0 2.0
   39    33    48    45   0.11100  1.0 3.0
   39    33    48    49   0.15000  1.0 3.0
   39    33    48    52  -0.95700  1.0 1.0
   39    33    48    52  -0.18200 -1.0 2.0
   39    33    48    52   0.29450  1.0 3.0
   39    43    46    47   0.28000  1.0 3.0
   39    43    46    50  -0.60800  1.0 1.0
   39    43    46    50   1.10050 -1.0 2.0
   39    43    46    50   0.47000  1.0 3.0
   39    43    46    60  -0.35450  1.0 1.0
   39    43    46    60   0.44050 -1.0 2.0
   39    43    46    60   0.77100  1.0 3.0
   40    39    43    44   0.20000  1.0 3.0
   40    39    43    46   0.28000  1.0 3.0
   41    39    43    44   0.20000  1.0 3.0
   41    39    43    46   0.28000  1.0 3.0
   43    46    50    51   0.00000  1.0 1.0
   43    46    50    54   0.90200  1.0 1.0
   43    46    50    54   0.57900 -1.0 2.0
   43    46    50    54  -0.62100  1.0 3.0
   43    46    60    57   1.85550  1.0 1.0
   43    46    60    57  -0.84100 -1.0 2.0
   43    46    60    61   0.15000  1.0 3.0
   43    46    60    69   4.49050  1.0 1.0
   44    43    46    47   0.20000  1.0 3.0
   44    43    46    50   0.12450  1.0 1.0
   44    43    46    50  -0.40750 -1.0 2.0
   44    43    46    50   0.30300  1.0 3.0
   44    43    46    60   0.03200  1.0 1.0
   44    43    46    60   0.33800 -1.0 2.0
   46    50    54    55   7.00000 -1.0 2.0
   46    50   -54    57   7.00000 -1.0 2.0
   46    60    69    70  -0.11600  1.0 1.0
   46    60    69    70  -0.09450 -1.0 2.0
   46    60    69    70   0.21250  1.0 3.0
   47    46    50    51   0.33100  1.0 3.0
   47    46    50    54   0.00000  1.0 1.0
   47    46    60    57   0.15000  1.0 3.0
   47    46    60    61   0.15000  1.0 3.0
   47    46    60    69   0.23400  1.0 3.0
   50    46   -60    57   0.34400  1.0 1.0
   50    46   -60    57   0.09450 -1.0 2.0
   50    46   -60    57   0.11100  1.0 3.0
   50    46    60    61   0.15000  1.0 3.0
   50    46    60    69   1.05650  1.0 1.0
   50    46    60    69   0.15600 -1.0 2.0
   50    46    60    69   0.53150  1.0 3.0
   50    54    57    58   0.00000  1.0 1.0
   50    54   -57    60   0.09850  1.0 1.0
   50    54   -57    60   0.15250 -1.0 2.0
   50    54   -57    60  -0.50650  1.0 3.0
   50    54    57    62   0.67800  1.0 1.0
   50    54    57    62   0.47050 -1.0 2.0
   50    54    57    62  -0.62500  1.0 3.0
   51    50    54    55   7.00000 -1.0 2.0
   51    50    54    57   7.00000 -1.0 2.0
   54    57   -60    46   0.34400  1.0 1.0
   54    57   -60    46   0.09450 -1.0 2.0
   54    57   -60    46   0.11100  1.0 3.0
   54    57    60    61   0.15000  1.0 3.0
   54    57    60    69   1.05650  1.0 1.0
   54    57    60    69   0.15600 -1.0 2.0
   54    57    60    69   0.53150  1.0 3.0
   54    57    62    63  -0.07800  1.0 1.0
   54    57    62    63  -0.21500 -1.0 2.0
   54    57    62    63  -0.03150  1.0 3.0
   55    54    57    58   0.33100  1.0 3.0
   55    54    57    60   0.00000  1.0 1.0
   55    54    57    62   0.00000  1.0 1.0
   57    60    69    70  -0.11600  1.0 1.0
   57    60    69    70  -0.09450 -1.0 2.0
   57    60    69    70   0.21250  1.0 3.0
   58    57    60    46   0.15000  1.0 3.0
   58    57    60    61   0.15000  1.0 3.0
   58    57    60    69   0.23400  1.0 3.0
   58    57    62    63   0.19450  1.0 3.0
   60    46    50    51   0.00000  1.0 1.0
   60    46   -50    54   0.09850  1.0 1.0
   60    46   -50    54   0.15250 -1.0 2.0
   60    46   -50    54  -0.50650  1.0 3.0
   60    57    62    63  -0.11600  1.0 1.0
   60    57    62    63  -0.09450 -1.0 2.0
   60    57    62    63   0.21250  1.0 3.0
   61    60    69    70   0.19450  1.0 3.0
   62    57    60    46   0.86500  1.0 1.0
   62    57    60    46  -0.17500 -1.0 2.0
   62    57    60    46   0.20800  1.0 3.0
   62    57    60    61   0.23400  1.0 3.0
   62    57    60    69   3.75450  1.0 1.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    42  10.50000 -1.0 2.0
   42    48    45    64  10.50000 -1.0 2.0
   48    56    52    53  10.50000 -1.0 2.0
   64    66    59    56  10.50000 -1.0 2.0
   59    65    64    45   1.00000 -1.0 2.0
   68    59    66    67   1.00000 -1.0 2.0
   46    51    50    54   1.10000 -1.0 2.0
   57    55    54    50   1.10000 -1.0 2.0
END
