* LIGAND DATABASE FILE (OPLS2005)
*
001      57    58    104    165     308
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02123    85.46173   -76.10735
    3     1 S   H    _H1_     3     1.02065    94.63773    32.33509
    4     1 S   H    _H2_     4     1.02100    33.61428   149.58720
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08519   110.56213    58.83396
   26    24 S   HC   HB22    34     1.08612   109.94660   179.13182
   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   _C12    36     1.84419    97.56269  -178.13680
   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   NT   _N4_    37     1.46989   110.98845   -46.33577
   38    37 S   H    _H3_    38     1.02148   108.76979   157.59876
   39    33 S   CT   _C11    51     1.52979   110.10216    76.99825
   40    39 S   HC   _H9_    52     1.09629   111.84232   -48.53207
   41    39 S   HC   _H10    53     1.09890   111.43091  -168.20385
   42    37 S   CT1  _C4_    39     1.46903   106.28708   -84.77109
   43    42 S   HC   _H4_    40     1.08738   110.48797    91.72286
   44    42 S   CT   _C6_    41     1.52953   107.03873   -29.96984
   45    44 S   HC   _H5_    42     1.09612   112.76565  -105.30831
   46    44 S   HC   _H6_    43     1.09468   110.27826   132.32613
   47    42 S   C    _C5_    54     1.49167   106.72896  -150.58754
   48    47 S   O    _O1_    55     1.22242   125.09510     0.96631
   49    33 S   CM   _C8_    44     1.49861   109.51628  -160.01288
   50    47 S   OH   _O33    56     1.35580   110.70639  -178.94316
   51    50 S   HO   _H7_    57     0.98036   111.96809   179.89532
   52    49 S   CM   _C7_    45     1.33812   124.91744   -93.43865
   53    52 S   HC   _H8_    46     1.08305   122.48572  -177.33068
   54    52 S   CO4  _C9_    47     1.47620   118.96479     1.60888
   55    54 S   O    _O3_    48     1.22135   122.75414   170.34184
   56    54 S   CO4  _C10    49     1.51103   118.40640   -10.67619
   57    56 S   O    _O4_    50     1.22159   118.58437   171.53012
  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  11   5   4   3
  17   2   1   1  15   6  10   5   4  10   7   9   4   3   4   2
   5   1   1   5   3   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    49    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    44    49    52    56    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    45    46    49    52    53    54    56    57    39    40    41    47  
   35    36  
   36  
    0  
   38    42    43    44    45    46    49    52    56    39    40    41    47    48    50  
   42    43    44    49    39    47  
   40    41    42    44    49    52    54    55    56    57  
   41    49    54    56    57  
   49    54    56    57  
   43    44    45    46    49    52    47    48    50    51  
   44    45    46    49    47    48    50  
   45    46    49    52    53    54    47    48    50  
   46    49    52    47  
   49    52    47  
   48    50    51    49  
   50    51  
   52    53    54    55    56  
   51  
    0  
   53    54    55    56    57  
   54    55    56  
   55    56    57  
   56    57  
   57  
    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   0.367500   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   3.3000   0.1700  -0.702500   1.8650   1.6500   0.051222218  -2.220205820
   38   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
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   382.000  1.448
   33    49   317.000  1.510
   33    39   268.000  1.529
   37    38   434.000  1.010
   37    42   305.000  1.457
   42    43   340.000  1.090
   42    44   268.000  1.529
   42    47   317.000  1.522
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    49   317.000  1.510
   49    52   549.000  1.340
   52    53   340.000  1.080
   52    54   320.000  1.462
   54    55   570.000  1.229
   54    56   250.000  1.523
   56    57   570.000  1.229
   56    39   317.000  1.522
   39    40   340.000  1.090
   39    41   340.000  1.090
   47    48   570.000  1.229
   47    50   450.000  1.364
   50    51   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    85.00000  109.00000
   29    33    49    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  109.50000
   33    37    42    51.80000  107.20000
   33    49    44    65.00000  117.92700
   33    49    52    70.00000  124.00000
   33    39    56    63.00000  111.10000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   37    42    43    50.00000  109.55000
   37    42    44    80.00000  111.22000
   37    42    47    75.00000  111.54000
   42    37    38    50.00000  111.55300
   42    44    45    37.50000  110.70000
   42    44    46    37.50000  110.70000
   42    44    49    70.00000  112.02700
   42    47    48    80.00000  120.40000
   42    47    50    80.00000  116.87500
   44    42    43    37.50000  110.70000
   44    49    52    70.00000  124.00000
   46    44    45    33.00000  107.80000
   49    33    37    75.00000  110.70900
   49    44    45    35.00000  109.50000
   49    44    46    35.00000  109.50000
   49    52    53    35.00000  120.00000
   49    52    54    65.00000  118.96000
   52    54    55    80.00000  123.72100
   52    54    56    65.00000  116.00000
   54    52    53    40.00000  117.72500
   54    56    57    80.00000  119.30300
   54    56    39    65.00000  115.45000
   56    54    55    80.00000  119.30300
   56    39    40    35.00000  109.50000
   56    39    41    35.00000  109.50000
   39    33    37    56.20000  109.47000
   39    33    49    70.00000  112.02700
   39    56    57    80.00000  120.40000
   41    39    40    33.00000  107.80000
   47    42    43    35.00000  109.50000
   47    42    44    63.00000  111.10000
   47    50    51    35.00000  113.00000
   50    47    48   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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    49  -0.62250  1.0 1.0
   24    29    33    49  -0.38450 -1.0 2.0
   24    29    33    49   0.81900  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  -0.05900  1.0 1.0
   29    33    37    38   0.08350 -1.0 2.0
   29    33    37    38   0.12500  1.0 3.0
   29    33    37    42   0.23200  1.0 1.0
   29    33    37    42   0.02100 -1.0 2.0
   29    33    37    42   0.24950  1.0 3.0
   29    33    49    44   0.30250  1.0 1.0
   29    33    49    44  -0.14950 -1.0 2.0
   29    33    49    44   0.36900  1.0 3.0
   29    33    49    52   0.42700  1.0 1.0
   29    33    49    52  -0.70350 -1.0 2.0
   29    33    49    52  -0.43150  1.0 3.0
   29    33    39    56   0.56750  1.0 1.0
   29    33    39    56  -0.07550 -1.0 2.0
   29    33    39    56   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
   33    37    42    43   0.28000  1.0 3.0
   33    37   -42    44   0.23450  1.0 1.0
   33    37   -42    44   0.02050 -1.0 2.0
   33    37   -42    44   0.25250  1.0 3.0
   33    37    42    47  -1.76800  1.0 1.0
   33    37    42    47   1.02600 -1.0 2.0
   33    37    42    47   0.19700  1.0 3.0
   33    49    52    53   7.00000 -1.0 2.0
   33    49    52    54   7.00000 -1.0 2.0
   37    33   -49    44   0.52100  1.0 1.0
   37    33   -49    44  -0.20350 -1.0 2.0
   37    33   -49    44   0.29750  1.0 3.0
   37    33    49    52   0.90200  1.0 1.0
   37    33    49    52   0.57900 -1.0 2.0
   37    33    49    52  -0.62100  1.0 3.0
   37    33    39    56  -3.56550  1.0 1.0
   37    33    39    56  -0.67500 -1.0 2.0
   37    33    39    56   1.11300  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    42    44    45   0.15000  1.0 3.0
   37    42    44    46   0.15000  1.0 3.0
   37    42   -44    49   0.59950  1.0 1.0
   37    42   -44    49  -0.21400 -1.0 2.0
   37    42   -44    49   0.56200  1.0 3.0
   37    42    47    48   0.30150 -1.0 2.0
   37    42    47    50   0.40000  1.0 3.0
   38    37    42    43   0.20000  1.0 3.0
   38    37    42    44  -0.15950  1.0 1.0
   38    37    42    44   0.34650 -1.0 2.0
   38    37    42    44   0.05750  1.0 3.0
   38    37    42    47   0.21900  1.0 1.0
   38    37    42    47  -0.24900 -1.0 2.0
   38    37    42    47   0.15200  1.0 3.0
   42    44   -49    33   0.46850  1.0 1.0
   42    44   -49    33   0.08550 -1.0 2.0
   42    44   -49    33   0.09800  1.0 3.0
   42    44    49    52   0.09850  1.0 1.0
   42    44    49    52   0.15250 -1.0 2.0
   42    44    49    52  -0.50650  1.0 3.0
   42    47    50    51   1.50000  1.0 1.0
   42    47    50    51   2.45000 -1.0 2.0
   43    42    44    45   0.15000  1.0 3.0
   43    42    44    46   0.15000  1.0 3.0
   43    42    44    49   0.15000  1.0 3.0
   43    42    47    48   0.00000  1.0 1.0
   43    42    47    50   0.00000  1.0 1.0
   44    42    47    48   0.00000  1.0 1.0
   44    42    47    50   0.50000  1.0 1.0
   44    42    47    50   0.27300 -1.0 2.0
   44    42    47    50   0.22500  1.0 3.0
   44    49    52    53   7.00000 -1.0 2.0
   44    49    52    54   7.00000 -1.0 2.0
   45    44    49    33   0.34800  1.0 3.0
   45    44    49    52   0.00000  1.0 1.0
   46    44    49    33   0.34800  1.0 3.0
   46    44    49    52   0.00000  1.0 1.0
   49    33    37    38   0.12450  1.0 1.0
   49    33    37    38  -0.40750 -1.0 2.0
   49    33    37    38   0.30300  1.0 3.0
   49    33   -37    42  -0.60800  1.0 1.0
   49    33   -37    42   1.10050 -1.0 2.0
   49    33   -37    42   0.47000  1.0 3.0
   49    33    39    56  -0.98800  1.0 1.0
   49    33    39    56   0.48800 -1.0 2.0
   49    33    39    56   0.76800  1.0 3.0
   49    33    39    40   0.15000  1.0 3.0
   49    33    39    41   0.15000  1.0 3.0
   49    52    54    55   1.00000 -1.0 2.0
   49    52   -54    56   0.50400  1.0 1.0
   49    52   -54    56   1.60000 -1.0 2.0
   49    52   -54    56  -0.01800  1.0 3.0
   52    54    56    57   0.03000  1.0 1.0
   52    54    56    57   0.58800 -1.0 2.0
   52    54    56    57   0.15550  1.0 3.0
   52    54    56    39   0.43900  1.0 1.0
   52    54    56    39  -0.18150 -1.0 2.0
   52    54    56    39  -0.03650  1.0 3.0
   53    52    54    55   0.00000  1.0 1.0
   53    52    54    56   0.92800 -1.0 2.0
   54    56   -39    33   0.65300  1.0 1.0
   54    56   -39    33  -0.03850 -1.0 2.0
   54    56   -39    33   0.33900  1.0 3.0
   54    56    39    40   0.00000  1.0 1.0
   54    56    39    41   0.00000  1.0 1.0
   55    54    56    57   0.06100 -1.0 2.0
   55    54    56    39   0.49600 -1.0 2.0
   57    56    39    33   0.30150 -1.0 2.0
   57    56    39    40   0.00000  1.0 1.0
   57    56    39    41   0.00000  1.0 1.0
   39    33    37    38  -0.15950  1.0 1.0
   39    33    37    38   0.34650 -1.0 2.0
   39    33    37    38   0.05750  1.0 3.0
   39    33    37    42   0.23450  1.0 1.0
   39    33    37    42   0.02050 -1.0 2.0
   39    33    37    42   0.25250  1.0 3.0
   39    33    49    44   0.46850  1.0 1.0
   39    33    49    44   0.08550 -1.0 2.0
   39    33    49    44   0.09800  1.0 3.0
   39    33   -49    52   0.09850  1.0 1.0
   39    33   -49    52   0.15250 -1.0 2.0
   39    33   -49    52  -0.50650  1.0 3.0
   47    42    44    45  -0.03800  1.0 3.0
   47    42    44    46  -0.03800  1.0 3.0
   47    42    44    49  -0.98800  1.0 1.0
   47    42    44    49   0.48800 -1.0 2.0
   47    42    44    49   0.76800  1.0 3.0
   48    47    50    51   0.92200  1.0 1.0
   48    47    50    51   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
   36    30    34    35  10.50000 -1.0 2.0
   33    44    49    52   1.10000 -1.0 2.0
   54    53    52    49   1.10000 -1.0 2.0
   52    56    54    55  10.50000 -1.0 2.0
   54    39    56    57  10.50000 -1.0 2.0
   42    50    47    48  10.50000 -1.0 2.0
END
