* LIGAND DATABASE FILE (OPLS2005)
*
001      68    69    124    193     368
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02077   102.54939    13.17780
    3     1 S   H    _H1_     3     1.02171    40.68249   117.39104
    4     1 S   H    _H2_     4     1.02105    73.19890   -92.84574
    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     1.08491   110.62044    58.72541
   26    24 S   HC   HB22    34     1.08584   110.00631   179.17671
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C13    36     1.86848    96.69276   161.84682
   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   _C6_    37     1.53537   106.29389   -39.98389
   38    37 S   CM   _C4_    38     1.34438   121.20933   111.64002
   39    38 S   HC   _H20    39     1.08221   124.32640   173.55004
   40    37 S   CM   _C7_    53     1.47068   117.99536   -72.33933
   41    38 S   OS   _O16    40     1.36229   127.10454    -3.56568
   42    40 S   CM   _C5_    54     1.34825   123.05910   -17.45542
   43    40 S   OH   _O17    67     1.38385   112.95304   160.58112
   44    43 S   HO   _H33    68     0.95971   109.37548  -177.92963
   45    41 S   CT   _C12    41     1.43034   114.82369   -16.58493
   46    45 S   HC   _H23    42     1.09877   107.67179   -74.78154
   47    42 S   CO4  _C8_    55     1.49729   118.69772    -3.75233
   48    47 S   O    _O14    56     1.23078   119.63350   173.31660
   49    42 S   C    _C9_    63     1.47333   121.91284   176.04636
   50    49 S   O    _O15    64     1.21431   124.36012   150.01663
   51    33 S   CT   _C11    43     1.58195   110.31201    79.38729
   52    51 S   HC   _H22    44     1.10091   106.34906   162.98273
   53    45 S   CT   _C16    49     1.52869   105.51864   170.51177
   54    53 S   HC   _H30    50     1.08848   109.73236   -65.24930
   55    53 S   HC   _H31    51     1.08806   109.73357   174.70857
   56    53 S   HC   _H32    52     1.08774   109.72040    54.73272
   57    33 S   CT   _C10    57     1.56418   111.93276  -154.70596
   58    57 S   HC   _H21    58     1.10226   107.95754   172.83511
   59    49 S   OH   _O18    65     1.34802   109.40490   -29.94265
   60    59 S   HO   _H34    66     0.98070   111.79058   179.97202
   61    51 S   CT   _C15    45     1.54129   116.02982    43.79862
   62    61 S   HC   _H27    46     1.08469   109.07493   -61.33536
   63    61 S   HC   _H28    47     1.08400   109.12308   178.74057
   64    61 S   HC   _H29    48     1.08318   109.16606    58.66680
   65    57 S   CT   _C14    59     1.53013   117.48610   -68.58605
   66    65 S   HC   _H24    60     1.08754   109.64670    59.92716
   67    65 S   HC   _H25    61     1.08794   109.65032   -60.04833
   68    65 S   HC   _H26    62     1.08744   109.69069   179.91607
  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
  24   2   1   1  16  10   3  11   9  11   3   1  12   7  11   4
   4   2  12   6   4   2   1   1   6   4   1   1   3   2   1   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    57    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    45    51    52    61    40    47    57    58    65  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    41    45    46    51    52    61    62    63    64    53    40    42    47    48    57    58    65    66    67    68    43  
   35    36  
   36  
    0  
   38    39    41    45    51    52    61    40    42    47    57    58    65    49    43    44  
   39    41    45    46    51    53    40    42    57    43  
   41    45    40  
   42    47    48    57    49    50    59    43    44    41    51  
   45    46    51    52    61    53    54    55    56  
   47    48    57    58    65    49    50    59    60    43    44  
   44    47    49  
    0  
   46    51    52    61    62    63    64    53    54    55    56    57  
   51    52    61    53    54    55    56  
   48    57    58    65    66    67    68    49    50    59    51  
   57    58    65    49  
   50    59    60    57  
   59    60  
   52    61    62    63    64    53    54    55    56    57    58    65  
   61    62    63    64    53    57  
   54    55    56    61  
   55    56  
   56  
    0  
   58    65    66    67    68    61  
   65    66    67    68  
   60  
    0  
   62    63    64  
   63    64  
   64  
    0  
   66    67    68  
   67    68  
   68  
    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   0.167500   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5500   0.0760  -0.030000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   41   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   42   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   49   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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   317.000  1.510
   33    51   268.000  1.529
   33    57   268.000  1.529
   37    38   549.000  1.340
   37    40   380.000  1.444
   38    39   340.000  1.080
   38    41   440.000  1.360
   41    45   320.000  1.410
   45    46   340.000  1.090
   45    51   268.000  1.529
   45    53   268.000  1.529
   51    52   340.000  1.090
   51    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   40    42   549.000  1.340
   40    43   510.000  1.338
   42    47   320.000  1.462
   42    49   410.000  1.444
   47    48   570.000  1.229
   47    57   317.000  1.522
   57    58   340.000  1.090
   57    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   49    50   570.000  1.229
   49    59   450.000  1.364
   59    60   553.000  0.945
   43    44   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  112.20000
   29    33    51    75.00000  111.63000
   29    33    57    75.00000  111.63000
   33    37    38    70.00000  124.00000
   33    37    40    70.00000  124.00000
   33    51    45    58.35000  112.70000
   33    51    52    37.50000  110.70000
   33    51    61    58.35000  112.70000
   33    57    47    63.00000  111.10000
   33    57    58    37.50000  110.70000
   33    57    65    58.35000  112.70000
   37    38    39    35.00000  120.00000
   37    38    41    80.00000  120.01400
   37    40    42    70.00000  123.01800
   37    40    43    80.00000  121.38400
   38    41    45    90.00000  111.18400
   41    38    39    55.00000  109.52600
   41    45    46    35.00000  109.50000
   41    45    51    50.00000  109.50000
   41    45    53    50.00000  109.50000
   45    51    52    37.50000  110.70000
   45    51    61    58.35000  112.70000
   45    53    54    37.50000  110.70000
   45    53    55    37.50000  110.70000
   45    53    56    37.50000  110.70000
   51    33    37    70.00000  112.02700
   51    45    46    37.50000  110.70000
   51    61    62    37.50000  110.70000
   51    61    63    37.50000  110.70000
   51    61    64    37.50000  110.70000
   61    51    52    37.50000  110.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   53    45    46    37.50000  110.70000
   53    45    51    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   40    37    38    70.00000  123.01800
   40    42    47    65.00000  118.96000
   40    42    49    70.00000  118.70000
   40    43    44    70.00000  107.45700
   42    47    48    80.00000  123.72100
   42    47    57    65.00000  118.62400
   42    49    50    80.00000  125.30000
   42    49    59    90.00000  111.55000
   47    57    58    35.00000  109.50000
   47    57    65    63.00000  111.10000
   57    33    37    70.00000  112.02700
   57    33    51    58.35000  112.70000
   57    47    48    80.00000  120.40000
   57    65    66    37.50000  110.70000
   57    65    67    37.50000  110.70000
   57    65    68    37.50000  110.70000
   65    57    58    37.50000  110.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   49    42    47    55.00000  123.68000
   49    59    60    35.00000  113.00000
   59    49    50   100.00000  123.32000
   43    40    42    80.00000  121.38400
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    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   0.21350  1.0 3.0
   24    29    33    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   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   0.42700  1.0 1.0
   29    33    37    38  -0.70350 -1.0 2.0
   29    33    37    38  -0.43150  1.0 3.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    51    45   0.44750  1.0 1.0
   29    33    51    45  -0.17800 -1.0 2.0
   29    33    51    45   0.20200  1.0 3.0
   29    33    51    52   0.15000  1.0 3.0
   29    33    51    61   0.44750  1.0 1.0
   29    33    51    61  -0.17800 -1.0 2.0
   29    33    51    61   0.20200  1.0 3.0
   29    33    57    47   0.56750  1.0 1.0
   29    33    57    47  -0.07550 -1.0 2.0
   29    33    57    47   0.20000  1.0 3.0
   29    33    57    58   0.15000  1.0 3.0
   29    33    57    65   0.44750  1.0 1.0
   29    33    57    65  -0.17800 -1.0 2.0
   29    33    57    65   0.20200  1.0 3.0
   33    37    38    39   7.00000 -1.0 2.0
   33    37    38    41   7.00000 -1.0 2.0
   33    37    40    42  -0.18600  1.0 3.0
   33    37    40    43   1.08500 -1.0 2.0
   33    51    61    62   0.15000  1.0 3.0
   33    51    61    63   0.15000  1.0 3.0
   33    51    61    64   0.15000  1.0 3.0
   33    57    65    66   0.15000  1.0 3.0
   33    57    65    67   0.15000  1.0 3.0
   33    57    65    68   0.15000  1.0 3.0
   37    33    51    45   0.34400  1.0 1.0
   37    33    51    45   0.09450 -1.0 2.0
   37    33    51    45   0.11100  1.0 3.0
   37    33    51    52   0.15000  1.0 3.0
   37    33    51    61   0.34400  1.0 1.0
   37    33    51    61   0.09450 -1.0 2.0
   37    33    51    61   0.11100  1.0 3.0
   37    33    57    47  -0.98800  1.0 1.0
   37    33    57    47   0.48800 -1.0 2.0
   37    33    57    47   0.76800  1.0 3.0
   37    33    57    58   0.15000  1.0 3.0
   37    33    57    65   0.34400  1.0 1.0
   37    33    57    65   0.09450 -1.0 2.0
   37    33    57    65   0.11100  1.0 3.0
   37    38   -41    45  -2.26850  1.0 1.0
   37    38   -41    45   3.39050 -1.0 2.0
   37    40   -42    47   7.00000 -1.0 2.0
   37    40    42    49   7.00000 -1.0 2.0
   37    40    43    44  -0.66100  1.0 1.0
   37    40    43    44   1.20850 -1.0 2.0
   37    40    43    44  -0.36000  1.0 3.0
   38    37    40    42   0.28850  1.0 1.0
   38    37    40    42   2.61350 -1.0 2.0
   38    37    40    42   0.78400  1.0 3.0
   38    37    40    43   0.50950  1.0 1.0
   38    37    40    43   0.56650 -1.0 2.0
   38    37    40    43   0.34050  1.0 3.0
   38    41    45    46   0.08050  1.0 3.0
   38    41    45    51  -0.46850  1.0 1.0
   38    41    45    51   0.09300 -1.0 2.0
   38    41    45    51  -0.12850  1.0 3.0
   38    41    45    53  -0.46850  1.0 1.0
   38    41    45    53   0.09300 -1.0 2.0
   38    41    45    53  -0.12850  1.0 3.0
   39    38    41    45   0.50000 -1.0 2.0
   41    45   -51    33   0.62750  1.0 1.0
   41    45   -51    33  -0.30950 -1.0 2.0
   41    45   -51    33   0.27300  1.0 3.0
   41    45    51    52   0.23400  1.0 3.0
   41    45    51    61   0.62750  1.0 1.0
   41    45    51    61  -0.30950 -1.0 2.0
   41    45    51    61   0.27300  1.0 3.0
   41    45    53    54   0.23400  1.0 3.0
   41    45    53    55   0.23400  1.0 3.0
   41    45    53    56   0.23400  1.0 3.0
   45    51    61    62   0.15000  1.0 3.0
   45    51    61    63   0.15000  1.0 3.0
   45    51    61    64   0.15000  1.0 3.0
   46    45    51    33   0.15000  1.0 3.0
   46    45    51    52   0.15000  1.0 3.0
   46    45    51    61   0.15000  1.0 3.0
   46    45    53    54   0.15000  1.0 3.0
   46    45    53    55   0.15000  1.0 3.0
   46    45    53    56   0.15000  1.0 3.0
   51    33   -37    38   0.09850  1.0 1.0
   51    33   -37    38   0.15250 -1.0 2.0
   51    33   -37    38  -0.50650  1.0 3.0
   51    33    37    40   0.98200  1.0 1.0
   51    33    37    40  -0.11900 -1.0 2.0
   51    33    37    40   0.24250  1.0 3.0
   51    33    57    47  -0.95700  1.0 1.0
   51    33    57    47  -0.18200 -1.0 2.0
   51    33    57    47   0.29450  1.0 3.0
   51    33    57    58   0.15000  1.0 3.0
   51    33    57    65   0.56750  1.0 1.0
   51    33    57    65  -0.07550 -1.0 2.0
   51    33    57    65   0.20000  1.0 3.0
   51    45    53    54   0.15000  1.0 3.0
   51    45    53    55   0.15000  1.0 3.0
   51    45    53    56   0.15000  1.0 3.0
   52    51    61    62   0.15000  1.0 3.0
   52    51    61    63   0.15000  1.0 3.0
   52    51    61    64   0.15000  1.0 3.0
   53    45    51    33   0.56750  1.0 1.0
   53    45    51    33  -0.07550 -1.0 2.0
   53    45    51    33   0.20000  1.0 3.0
   53    45    51    52   0.15000  1.0 3.0
   53    45    51    61   0.56750  1.0 1.0
   53    45    51    61  -0.07550 -1.0 2.0
   53    45    51    61   0.20000  1.0 3.0
   40    37    38    39   7.00000 -1.0 2.0
   40    37    38    41   7.00000 -1.0 2.0
   40    42    47    48   1.00000 -1.0 2.0
   40    42    47    57  -0.33500  1.0 1.0
   40    42    47    57   1.06600 -1.0 2.0
   40    42    47    57  -0.14000  1.0 3.0
   40    42    49    50   1.00000 -1.0 2.0
   40    42    49    59  -0.01000  1.0 1.0
   40    42    49    59   1.29850 -1.0 2.0
   40    42    49    59  -0.09550  1.0 3.0
   42    40    43    44  -0.66100  1.0 1.0
   42    40    43    44   1.20850 -1.0 2.0
   42    40    43    44  -0.36000  1.0 3.0
   42    47   -57    33   0.65300  1.0 1.0
   42    47   -57    33  -0.03850 -1.0 2.0
   42    47   -57    33   0.33900  1.0 3.0
   42    47    57    58   0.00000  1.0 1.0
   42    47    57    65   0.65300  1.0 1.0
   42    47    57    65  -0.03850 -1.0 2.0
   42    47    57    65   0.33900  1.0 3.0
   42    49    59    60   1.22000  1.0 1.0
   42    49    59    60   0.17300 -1.0 2.0
   47    42    49    50   2.50000 -1.0 2.0
   47    42    49    59   1.00000 -1.0 2.0
   47    57    65    66  -0.11250  1.0 3.0
   47    57    65    67  -0.11250  1.0 3.0
   47    57    65    68  -0.11250  1.0 3.0
   48    47    57    33   0.30150 -1.0 2.0
   48    47    57    58   0.00000  1.0 1.0
   48    47    57    65   0.30150 -1.0 2.0
   57    33    37    38   0.09850  1.0 1.0
   57    33    37    38   0.15250 -1.0 2.0
   57    33    37    38  -0.50650  1.0 3.0
   57    33   -37    40   0.98200  1.0 1.0
   57    33   -37    40  -0.11900 -1.0 2.0
   57    33   -37    40   0.24250  1.0 3.0
   57    33    51    45   0.56750  1.0 1.0
   57    33    51    45  -0.07550 -1.0 2.0
   57    33    51    45   0.20000  1.0 3.0
   57    33    51    52   0.15000  1.0 3.0
   57    33    51    61   0.56750  1.0 1.0
   57    33    51    61  -0.07550 -1.0 2.0
   57    33    51    61   0.20000  1.0 3.0
   58    57    65    66   0.15000  1.0 3.0
   58    57    65    67   0.15000  1.0 3.0
   58    57    65    68   0.15000  1.0 3.0
   49    42    47    48   2.50000 -1.0 2.0
   49    42    47    57   1.50000 -1.0 2.0
   50    49    59    60   0.92200  1.0 1.0
   50    49    59    60   3.74100 -1.0 2.0
   43    40    42    47   7.00000 -1.0 2.0
   43    40    42    49   7.00000 -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    40    37    38   1.10000 -1.0 2.0
   41    39    38    37   1.10000 -1.0 2.0
   37    43    40    42   1.10000 -1.0 2.0
   47    49    42    40   1.10000 -1.0 2.0
   42    57    47    48  10.50000 -1.0 2.0
   42    59    49    50  10.50000 -1.0 2.0
END
