* LIGAND DATABASE FILE (OPLS2005)
*
001      67    69    121    186     350
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02114    38.75122   123.21811
    3     1 S   H    _H1_     3     1.02113    75.78407   -89.46346
    4     1 S   H    _H2_     4     1.02025   101.22233    17.23190
    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   _C10    36     1.82813    98.09036   -78.19769
   34    33 S   HC   _H3_    37     1.09523   106.38128    41.87449
   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   _C9_    38     1.51804   110.65749   -80.01210
   39    38 S   HC   _H24    39     1.09473   115.35141    35.44275
   40    38 S   HC   _H25    40     1.09889   108.17532   154.85646
   41    38 S   CO   _C12    41     1.53214   104.36432   -90.45782
   42    41 S   HC   _H28    42     1.12088   111.05746  -138.74151
   43    41 S   N*   _N14    43     1.51473   113.80844   104.09523
   44    41 S   OS   _O17    57     1.44051   106.63259   -19.69435
   45    43 S   CRAB _C5_    44     1.36961   126.06848  -118.93989
   46    45 S   HA   _H23    45     1.08079   122.28056    -0.11869
   47    33 S   CT   _C11    58     1.52635   115.40771   166.00993
   48    47 S   HC   _H27    59     1.09762   108.37448  -161.61710
   49    45 S   NNA  _N13    46     1.31644   112.13816   179.82983
   50    47 S   CT   _C13    60     1.51854   117.85179   -38.77739
   51    50 S   HC   _H29    61     1.09272   110.27681    80.03291
   52    50 S   HC   _H30    62     1.09238   110.34478   -40.85280
   53    49 S   C56B _C6_    47     1.37199   104.89871     0.05595
   54    50 S   OS   _O19    63     1.41838   108.84701  -160.43971
   55    43 S   C56A _C7_    48     1.36612   126.85138    60.93570
   56    54 S   PR   _P21    64     1.62363   116.33250  -179.97202
   57    56 S   OM   _O16    65     1.46044    98.01533  -179.96044
   58    55 S   NB   _N11    49     1.34213   127.56869     0.04846
   59    56 S   OH   _O18    66     1.61873    98.14792   -80.75299
   60    59 S   HO   _H33    67     0.98103   110.35311   -99.37850
   61    58 S   CQ   _C4_    50     1.35080   110.44790  -179.95154
   62    61 S   HA   _H22    51     1.08460   115.62439  -179.96044
   63    61 S   NB   _N12    52     1.35505   128.85090     0.11869
   64    53 S   CA   _C8_    53     1.39153   132.43237  -179.96574
   65    64 S   NND  _N15    54     1.40493   120.73134    -0.02798
   66    65 S   H    _H31    55     1.00233   119.41860    -3.12894
   67    65 S   H    _H32    56     1.00268   119.45808  -176.85739
  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
  14   8   2   1   1  11   6   5  12   5  10   8   6   3   6   4
   6   6   3   2   8   4   6   3   2   4   1   1   4   2   4   3
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    47    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    44    47    48    50  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    47    48    50    51    52    54  
   38    39    40    41    44    47    48    50  
   36    37  
   37  
    0  
   39    40    41    42    43    45    55    44    47    48    50  
   40    41    42    43    44    47  
   41    42    43    44    47  
   42    43    45    46    49    53    55    58    44    47    48    50  
   43    45    55    44    47  
   45    46    49    53    55    58    61    64    44    47  
   47    48    50    51    52    54    45    55  
   46    49    53    55    58    64  
   49    53    55  
   48    50    51    52    54    56  
   50    51    52    54  
   53    55    58    63    64    65  
   51    52    54    56    57    59  
   52    54    56  
   54    56  
   55    58    61    63    64    65    66    67  
   56    57    59    60  
   58    61    62    63    64    65  
   57    59    60  
   59    60  
   61    62    63    64  
   60  
    0  
   62    63    64    65  
   63    64  
   64    65    66    67  
   65    66    67  
   66    67  
   67  
    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   3.5000   0.0660   0.450000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0500   0.100000   1.4250   1.2500   0.008598240   0.268726247
   43   3.2500   0.1700  -0.500000   1.8000   1.6000   0.001000000  -0.511443539
   44   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   45   3.5000   0.0800   0.200000   2.0020   1.7750   0.001000000  -0.843144165
   46   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   47   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   3.2500   0.1700  -0.490000   1.8000   1.6000   0.001000000  -0.511443539
   50   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0800   0.150000   2.5000   1.7750   0.001000000  -0.843144165
   54   2.9000   0.1400  -0.712500   1.7660   1.5600   0.020110767  -0.896042159
   55   3.5000   0.0800   0.380000   2.5000   1.7750   0.001000000  -0.843144165
   56   3.7400   0.2000   0.937500   2.1070   1.8700   0.005000000   0.000000000
   57   2.9800   0.2000  -0.912500   1.6890   1.4900   0.001000000  -0.126889456
   58   3.2500   0.1700  -0.550000   1.8000   1.6000   0.001000000  -0.511443539
   59   3.1200   0.1700  -0.930500   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5000   0.0800   0.220000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.5000   0.0500   0.200000   1.3810   1.2100   0.030040813   0.268726247
   63   3.2500   0.1700  -0.530000   1.8000   1.6000   0.001000000  -0.511443539
   64   3.5000   0.0800   0.440000   2.0020   1.7750   0.001000000  -0.843144165
   65   3.2500   0.1700  -0.810000   1.8650   1.6500   0.051222218  -2.220205820
   66   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
   67   0.5000   0.0300   0.370000   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    47   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   250.000  1.527
   41    42   340.000  1.090
   41    43   275.000  1.479
   41    44   320.000  1.380
   43    45   440.000  1.371
   43    55   436.000  1.374
   45    46   367.000  1.080
   45    49   529.000  1.304
   49    53   414.000  1.391
   53    55   447.000  1.419
   53    64   469.000  1.404
   55    58   461.000  1.354
   58    61   502.000  1.324
   61    62   367.000  1.080
   61    63   502.000  1.324
   63    64   483.000  1.339
   64    65   481.000  1.340
   65    66   434.000  1.010
   65    67   434.000  1.010
   44    47   320.000  1.410
   47    48   340.000  1.090
   47    50   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    54   320.000  1.410
   54    56   325.000  1.672
   56    57   325.000  1.672
   56    59   325.000  1.672
   59    60   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    47    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    75.00000  109.43000
   33    47    44    50.00000  109.50000
   33    47    48    37.50000  110.70000
   33    47    50    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    45.00000  112.01100
   38    41    43    75.00000  107.44000
   38    41    44    90.00000  108.56700
   40    38    39    33.00000  107.80000
   41    38    39    45.00000  108.72000
   41    38    40    45.00000  108.72000
   41    43    45    70.00000  128.80000
   41    43    55    70.00000  125.80000
   41    44    47    60.00000  109.50000
   43    41    42    55.00000  103.44000
   43    45    46    35.00000  123.05000
   43    45    49    70.00000  113.90000
   43    55    53    70.00000  106.20000
   43    55    58    70.00000  126.20000
   45    49    53    70.00000  103.80000
   49    45    46    35.00000  123.05000
   49    53    55    70.00000  110.40000
   49    53    64    70.00000  132.40000
   53    55    58    70.00000  127.70000
   53    64    63    70.00000  117.30000
   53    64    65    70.00000  123.50000
   55    43    45    70.00000  105.40000
   55    58    61    70.00000  111.00000
   58    61    62    35.00000  115.45000
   58    61    63    70.00000  129.10000
   61    63    64    70.00000  118.60000
   63    61    62    35.00000  115.45000
   63    64    65    70.00000  119.30000
   64    53    55    85.00000  116.20000
   64    65    66    35.00000  120.00000
   64    65    67    35.00000  120.00000
   67    65    66    35.00000  120.00000
   44    41    42    35.00000  109.50000
   44    41    43   105.00000  106.22000
   44    47    48    35.00000  109.50000
   44    47    50    50.00000  109.50000
   47    33    34    37.50000  110.70000
   47    33    38    58.35000  112.70000
   47    50    51    37.50000  110.70000
   47    50    52    37.50000  110.70000
   47    50    54    50.00000  109.50000
   50    47    48    37.50000  110.70000
   50    54    56   100.00000  120.50000
   52    50    51    33.00000  107.80000
   54    50    51    35.00000  109.50000
   54    50    52    35.00000  109.50000
   54    56    57    45.00000  102.60000
   54    56    59    45.00000  102.60000
   56    59    60    45.00000  108.50000
   59    56    57    35.00000   94.00000
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    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   0.21350  1.0 3.0
   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    41   0.44750  1.0 1.0
   29    33    38    41  -0.17800 -1.0 2.0
   29    33    38    41   0.20200  1.0 3.0
   29    33    47    44   0.56750  1.0 1.0
   29    33    47    44  -0.07550 -1.0 2.0
   29    33    47    44   0.20000  1.0 3.0
   29    33    47    48   0.15000  1.0 3.0
   29    33    47    50   0.44750  1.0 1.0
   29    33    47    50  -0.17800 -1.0 2.0
   29    33    47    50   0.20200  1.0 3.0
   33    38    41    42   0.15000  1.0 3.0
   33    38    41    43  -0.64600  1.0 1.0
   33    38    41    43   0.58400 -1.0 2.0
   33    38   -41    44   0.62750  1.0 1.0
   33    38   -41    44  -0.30950 -1.0 2.0
   33    38   -41    44   0.27300  1.0 3.0
   33    47    50    51   0.15000  1.0 3.0
   33    47    50    52   0.15000  1.0 3.0
   33    47    50    54   0.62750  1.0 1.0
   33    47    50    54  -0.30950 -1.0 2.0
   33    47    50    54   0.27300  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    41   0.15000  1.0 3.0
   34    33    47    44   0.23400  1.0 3.0
   34    33    47    48   0.15000  1.0 3.0
   34    33    47    50   0.15000  1.0 3.0
   38    33   -47    44   0.62750  1.0 1.0
   38    33   -47    44  -0.30950 -1.0 2.0
   38    33   -47    44   0.27300  1.0 3.0
   38    33    47    48   0.15000  1.0 3.0
   38    33    47    50   0.56750  1.0 1.0
   38    33    47    50  -0.07550 -1.0 2.0
   38    33    47    50   0.20000  1.0 3.0
   38    41    43    45   1.10250  1.0 1.0
   38    41    43    45   0.01650 -1.0 2.0
   38    41    43    45   0.39100  1.0 3.0
   38    41    43    55   1.10250  1.0 1.0
   38    41    43    55   0.01650 -1.0 2.0
   38    41    43    55   0.39100  1.0 3.0
   38    41   -44    47   0.06250  1.0 1.0
   38    41   -44    47  -0.01100 -1.0 2.0
   38    41   -44    47   0.28050  1.0 3.0
   39    38    41    42   0.15000  1.0 3.0
   39    38    41    43   0.15000  1.0 3.0
   39    38    41    44   0.23400  1.0 3.0
   40    38    41    42   0.15000  1.0 3.0
   40    38    41    43   0.15000  1.0 3.0
   40    38    41    44   0.23400  1.0 3.0
   41    43    45    46   3.62500 -1.0 2.0
   41    43    45    49   3.62500 -1.0 2.0
   41    43    55    53   0.81400  1.0 1.0
   41    43    55    53   1.55550 -1.0 2.0
   41    43    55    58   3.62500 -1.0 2.0
   41    44   -47    33   0.06250  1.0 1.0
   41    44   -47    33  -0.01100 -1.0 2.0
   41    44   -47    33   0.28050  1.0 3.0
   41    44    47    48   0.37050  1.0 3.0
   41    44    47    50   0.06250  1.0 1.0
   41    44    47    50  -0.01100 -1.0 2.0
   41    44    47    50   0.28050  1.0 3.0
   42    41    43    45   0.00000  1.0 1.0
   42    41    43    55   0.00000  1.0 1.0
   42    41    44    47   0.37050  1.0 3.0
   43    41    44    47  -2.37750  1.0 1.0
   43    41    44    47  -0.08150 -1.0 2.0
   43    41    44    47   0.59000  1.0 3.0
   43    45   -49    53   3.62500 -1.0 2.0
   43    55    58    61   3.62500 -1.0 2.0
   45    43   -55    53   0.70250  1.0 1.0
   45    43   -55    53   1.56150 -1.0 2.0
   45    43    55    58   3.62500 -1.0 2.0
   45    49   -53    55   3.62500 -1.0 2.0
   45    49    53    64   3.62500 -1.0 2.0
   46    45    49    53   3.62500 -1.0 2.0
   49    53   -55    43   3.62500 -1.0 2.0
   49    53    55    58   3.62500 -1.0 2.0
   49    53    64    63   3.62500 -1.0 2.0
   49    53    64    65   3.62500 -1.0 2.0
   53    55    58    61   3.62500 -1.0 2.0
   53    64    65    66   0.70000 -1.0 2.0
   53    64    65    67   0.70000 -1.0 2.0
   55    43    45    46   3.62500 -1.0 2.0
   55    43   -45    49   3.62500 -1.0 2.0
   55    53    64    63   3.62500 -1.0 2.0
   55    53    64    65   3.62500 -1.0 2.0
   55    58    61    62   3.62500 -1.0 2.0
   55    58   -61    63   3.62500 -1.0 2.0
   58    61    63    64   3.62500 -1.0 2.0
   61    63   -64    53   3.62500 -1.0 2.0
   61    63    64    65   3.62500 -1.0 2.0
   62    61    63    64   3.62500 -1.0 2.0
   63    64    65    66   0.70000 -1.0 2.0
   63    64    65    67   0.70000 -1.0 2.0
   64    53    55    43   3.00000 -1.0 2.0
   64    53   -55    58   3.62500 -1.0 2.0
   44    41    43    45   0.10350  1.0 1.0
   44    41    43    45  -0.15350 -1.0 2.0
   44    41    43    55   0.10350  1.0 1.0
   44    41    43    55  -0.15350 -1.0 2.0
   44    47    50    51   0.23400  1.0 3.0
   44    47    50    52   0.23400  1.0 3.0
   44    47    50    54   1.11900  1.0 1.0
   44    47    50    54  -1.16350 -1.0 2.0
   44    47    50    54  -0.34150  1.0 3.0
   47    33    38    39   0.15000  1.0 3.0
   47    33    38    40   0.15000  1.0 3.0
   47    33   -38    41   3.97050  1.0 1.0
   47    50    54    56  -2.65550  1.0 1.0
   47    50    54    56  -0.22350 -1.0 2.0
   47    50    54    56   0.24150  1.0 3.0
   48    47    50    51   0.15000  1.0 3.0
   48    47    50    52   0.15000  1.0 3.0
   48    47    50    54   0.23400  1.0 3.0
   50    54    56    57   0.05050  1.0 1.0
   50    54    56    57  -1.30700 -1.0 2.0
   50    54    56    57   0.91550  1.0 3.0
   50    54    56    59   0.05050  1.0 1.0
   50    54    56    59  -1.30700 -1.0 2.0
   50    54    56    59   0.91550  1.0 3.0
   51    50    54    56   0.03000  1.0 3.0
   52    50    54    56   0.03000  1.0 3.0
   54    56    59    60   0.00000  1.0 1.0
   57    56    59    60   0.00000  1.0 1.0
IPHI
    8     5     7     9  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    35    37  10.50000 -1.0 2.0
   45    55    43    41   4.00000 -1.0 2.0
   49    46    45    43   1.10000 -1.0 2.0
   55    64    53    49   4.00000 -1.0 2.0
   53    58    55    43   4.00000 -1.0 2.0
   63    62    61    58   1.10000 -1.0 2.0
   63    65    64    53   4.00000 -1.0 2.0
   67    64    65    66   1.00000 -1.0 2.0
END
