* LIGAND DATABASE FILE (OPLS2005)
*
001      59    59    102    157     303
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02045   105.80213    -1.68818
    3     1 S   H    _H1_     3     1.02097    48.61221    99.55684
    4     1 S   H    _H2_     4     1.02098    63.81019  -105.07484
    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   CM   _C8_    36     1.73643    98.78703  -178.19355
   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   CM   _C7_    37     1.33803   122.82515    89.96816
   38    37 S   HC   _H9_    38     1.08506   122.05355    -0.35498
   39    37 S   NE   _N6_    39     1.38004   124.85498   179.59797
   40    39 S   CT   _C10    40     1.45849   119.38923   -13.60232
   41    40 S   HC   _H10    41     1.09499   111.26799   144.94686
   42    39 S   CT   _C6_    48     1.45507   122.14040   154.05061
   43    42 S   HC   _H6_    49     1.09522   107.37107   160.02416
   44    42 S   HC   _H7_    50     1.09521   106.90920    44.51385
   45    40 S   N    _N5_    42     1.45855   111.02206    26.31684
   46    45 S   H    _H11    43     1.01517   117.41968   153.87092
   47    40 S   OH   _O4_    46     1.42333   111.37142   -93.80439
   48    47 S   HO   _H12    47     0.96977   106.67703  -177.98763
   49    42 S   CT1  _C4_    51     1.52360   112.08005   -77.44134
   50    49 S   HC   _H5_    52     1.09556   111.96253   -42.52561
   51    33 S   C    _C9_    44     1.49466   118.74009   -86.98398
   52    51 S   O    _O3_    45     1.22864   121.96108     3.70015
   53    49 S   NT   _N4_    53     1.44299   112.01304  -161.15585
   54    53 S   H    _H3_    54     1.00549   118.98030  -154.47219
   55    53 S   H    _H4_    55     1.00487   118.95921    38.87223
   56    49 S   C    _C5_    56     1.51543   110.19795    79.76516
   57    56 S   O    _O1_    57     1.22458   125.22951    56.29490
   58    56 S   OH   _O33    58     1.35962   111.88329  -121.32519
   59    58 S   HO   _H8_    59     0.98110   115.17284   177.72936
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   7   5   4   3
   9   2   1   1  12   4  14  11   6  12   5   4   5   3   2   1
   8   6   1   1   5   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    51    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    45    51    52  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    45    46    51    52    42  
   35    36  
   36  
    0  
   38    39    40    41    45    51    52    47    42    43    44    49  
   39    40    51    42  
   40    41    45    46    51    47    48    42    43    44    49    50    53    56  
   41    45    46    51    52    47    48    42    43    44    49  
   45    46    51    47    48    42  
   43    44    49    50    53    54    55    56    57    58    45    47  
   44    49    50    53    56  
   49    50    53    56  
   46    51    52    47    48  
   51    52    47  
   48    51  
    0  
   50    53    54    55    56    57    58    59  
   53    54    55    56    57    58  
   52  
    0  
   54    55    56    57    58  
   55    56  
   56  
   57    58    59  
   58    59  
   59  
    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  -0.175000   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   3.5500   0.0760  -0.049200   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5500   0.0760  -0.097000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.2500   0.1700  -0.488600   1.9050   1.6860   0.051222218  -2.220205820
   40   3.5000   0.0660   0.640300   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.5000   0.0660   0.115300   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   46   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5000   0.0660   0.163900   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.7500   0.1050   0.556700   1.9250   1.7000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   53   3.3000   0.1700  -0.943900   1.8650   1.6500   0.051222218  -2.220205820
   54   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   55   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   56   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   58   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.450000   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   240.000  1.763
   33    37   549.000  1.340
   33    51   410.000  1.444
   37    38   340.000  1.080
   37    39   425.000  1.378
   39    40   382.000  1.448
   39    42   382.000  1.448
   40    41   340.000  1.090
   40    45   337.000  1.449
   40    47   320.000  1.410
   45    46   434.000  1.010
   45    51   490.000  1.335
   51    52   570.000  1.229
   47    48   553.000  0.945
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    49   268.000  1.529
   49    50   340.000  1.090
   49    53   305.000  1.457
   49    56   317.000  1.522
   53    54   434.000  1.010
   53    55   434.000  1.010
   56    57   570.000  1.229
   56    58   450.000  1.364
   58    59   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    85.00000  102.41200
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    65.00000  122.11800
   29    33    51    80.00000  108.38000
   33    37    38    35.00000  120.00000
   33    37    39    70.00000  124.03900
   33    51    45    80.00000  111.56200
   33    51    52    80.00000  125.30000
   37    39    40    50.00000  121.00000
   37    39    42    50.00000  121.00000
   39    37    38    50.00000  112.30800
   39    40    41    35.00000  109.50000
   39    40    45    90.00000  107.82800
   39    40    47    95.00000  114.90300
   39    42    43    35.00000  109.50000
   39    42    44    35.00000  109.50000
   39    42    49    80.00000  111.61500
   40    45    46    38.00000  118.40000
   40    45    51    50.00000  121.90000
   40    47    48    55.00000  108.50000
   45    40    41    35.00000  109.50000
   45    51    52    80.00000  122.90000
   51    33    37    70.00000  118.70000
   51    45    46    35.00000  119.80000
   47    40    41    35.00000  109.50000
   47    40    45    95.00000  111.01700
   42    39    40    50.00000  115.00000
   42    49    50    37.50000  110.70000
   42    49    53    80.00000  111.22000
   42    49    56    63.00000  111.10000
   44    42    43    33.00000  107.80000
   49    42    43    37.50000  110.70000
   49    42    44    37.50000  110.70000
   49    53    54    50.00000  111.55300
   49    53    55    50.00000  111.55300
   49    56    57    80.00000  120.40000
   49    56    58    80.00000  116.87500
   53    49    50    50.00000  109.55000
   55    53    54    43.60000  106.40000
   56    49    50    35.00000  109.50000
   56    49    53    75.00000  111.54000
   56    58    59    35.00000  113.00000
   58    56    57   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   0.00000  1.0 1.0
   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   1.00000 -1.0 2.0
   24    29    33    51   1.00000 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   7.00000 -1.0 2.0
   29    33    37    39   7.00000 -1.0 2.0
   29    33    51    45   1.50000 -1.0 2.0
   29    33    51    52  -0.52200  1.0 1.0
   29    33    51    52   0.82950 -1.0 2.0
   33    37    39    40  -0.54700  1.0 1.0
   33    37    39    40   1.23000 -1.0 2.0
   33    37    39    42  -0.54700  1.0 1.0
   33    37    39    42   1.23000 -1.0 2.0
   37    33    51    45   0.49500  1.0 1.0
   37    33    51    45   1.31600 -1.0 2.0
   37    33    51    45  -0.02300  1.0 3.0
   37    33    51    52   1.00000 -1.0 2.0
   37    39    40    41   0.00000  1.0 1.0
   37    39   -40    45  -0.12500  1.0 1.0
   37    39   -40    45  -0.12500 -1.0 2.0
   37    39   -40    45   0.25000  1.0 3.0
   37    39    40    47   0.75000  1.0 1.0
   37    39    40    47  -0.75000 -1.0 2.0
   37    39    42    43   0.00000  1.0 1.0
   37    39    42    44   0.00000  1.0 1.0
   37    39    42    49   0.25450  1.0 1.0
   37    39    42    49  -0.61700 -1.0 2.0
   37    39    42    49  -0.23550  1.0 3.0
   38    37    39    40   0.00000  1.0 1.0
   38    37    39    42   0.00000  1.0 1.0
   39    40    45    46   0.00000  1.0 1.0
   39    40    45    51  -0.50000 -1.0 2.0
   39    40    47    48   0.09550  1.0 1.0
   39    40    47    48   0.17350 -1.0 2.0
   39    40    47    48  -0.55000  1.0 3.0
   39    42    49    50   0.22950  1.0 3.0
   39    42    49    53   4.29400  1.0 1.0
   39    42    49    53   0.12050 -1.0 2.0
   39    42    49    56  -2.10200  1.0 1.0
   39    42    49    56  -0.31600 -1.0 2.0
   39    42    49    56   0.13050  1.0 3.0
   40    39    42    43   0.00000  1.0 1.0
   40    39    42    44   0.00000  1.0 1.0
   40    39    42    49   0.00000  1.0 1.0
   40    45   -51    33   1.49850  1.0 1.0
   40    45   -51    33   1.53950 -1.0 2.0
   40    45    51    52   3.04450 -1.0 2.0
   41    40    45    46   0.00000  1.0 1.0
   41    40    45    51   0.00000  1.0 1.0
   41    40    47    48   0.19450  1.0 3.0
   45    40    47    48   0.09550  1.0 1.0
   45    40    47    48   0.17350 -1.0 2.0
   45    40    47    48  -0.55000  1.0 3.0
   46    45    51    33   2.56700 -1.0 2.0
   46    45    51    52   2.45000 -1.0 2.0
   51    33    37    38   7.00000 -1.0 2.0
   51    33   -37    39   7.00000 -1.0 2.0
   47    40    45    46   0.00000  1.0 1.0
   47    40    45    51  -5.15550  1.0 1.0
   47    40    45    51  -0.87850 -1.0 2.0
   42    39    40    41   0.00000  1.0 1.0
   42    39    40    45   0.00000  1.0 1.0
   42    39    40    47   0.00000  1.0 1.0
   42    49    53    54  -0.05950  1.0 1.0
   42    49    53    54   0.08850 -1.0 2.0
   42    49    53    54   0.11750  1.0 3.0
   42    49    53    55  -0.05950  1.0 1.0
   42    49    53    55   0.08850 -1.0 2.0
   42    49    53    55   0.11750  1.0 3.0
   42    49    56    57   0.00000  1.0 1.0
   42    49    56    58   0.50000  1.0 1.0
   42    49    56    58   0.27300 -1.0 2.0
   42    49    56    58   0.22500  1.0 3.0
   43    42    49    50   0.15000  1.0 3.0
   43    42    49    53   0.15000  1.0 3.0
   43    42    49    56  -0.03800  1.0 3.0
   44    42    49    50   0.15000  1.0 3.0
   44    42    49    53   0.15000  1.0 3.0
   44    42    49    56  -0.03800  1.0 3.0
   49    56    58    59   1.50000  1.0 1.0
   49    56    58    59   2.45000 -1.0 2.0
   50    49    53    54   0.20000  1.0 3.0
   50    49    53    55   0.20000  1.0 3.0
   50    49    56    57   0.00000  1.0 1.0
   50    49    56    58   0.00000  1.0 1.0
   53    49    56    57   0.30150 -1.0 2.0
   53    49    56    58   0.40000  1.0 3.0
   56    49    53    54   0.21900  1.0 1.0
   56    49    53    54  -0.24900 -1.0 2.0
   56    49    53    54   0.15200  1.0 3.0
   56    49    53    55   0.21900  1.0 1.0
   56    49    53    55  -0.24900 -1.0 2.0
   56    49    53    55   0.15200  1.0 3.0
   57    56    58    59   0.92200  1.0 1.0
   57    56    58    59   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
   29    51    33    37   1.10000 -1.0 2.0
   39    38    37    33   1.10000 -1.0 2.0
   40    37    39    42   1.00000 -1.0 2.0
   46    51    45    40   1.00000 -1.0 2.0
   33    45    51    52  10.50000 -1.0 2.0
   49    58    56    57  10.50000 -1.0 2.0
END
