* LIGAND DATABASE FILE (OPLS2005)
*
001      64    64    114    177     342
    1     0 S   NP   _N1_     1    28.69471    96.90051   -23.77073
    2     1 S   H    _HN1     2     1.02949    68.13540    12.30363
    3     1 S   H    _H1_     3     1.02828    40.84195   173.72749
    4     1 S   H    _H2_     4     1.02785   108.89721   -90.49882
    5     1 S   CT   _CA1     5     1.50118   136.49475   109.35108
    6     5 S   HC   _HA1     6     1.09574   105.17943    98.31494
    7     5 S   CO3  _C1_     7     1.53778   112.48686   -21.88691
    8     7 S   O2Z  _O11     8     1.26371   115.00349   -41.88323
    9     7 S   O2Z  _O12     9     1.26241   114.94653   137.21462
   10     5 S   CT   _CB1    10     1.53076   107.41363  -143.71484
   11    10 S   HC   HB11    11     1.09835   109.33036   -49.72343
   12    10 S   HC   HB12    12     1.09812   110.46056    66.87469
   13    10 S   CT   _CG1    13     1.52997   112.62920  -170.70263
   14    13 S   HC   HG11    14     1.09578   110.64801   -66.53199
   15    13 S   HC   HG12    15     1.09672   109.76141    52.70108
   16    13 S   C    _CD1    16     1.51808   112.19363   173.13350
   17    16 S   O    _OE1    17     1.22734   123.27424     8.16602
   18    16 S   N    _N2_    18     1.38669   111.69833  -171.85939
   19    18 S   H    _HN2    19     1.01577   118.90710     1.58152
   20    18 S   CT1  _CA2    20     1.46186   123.36507   176.86107
   21    20 S   HC   _HA2    21     1.09739   109.35715     3.83819
   22    20 S   C    _C2_    22     1.53586   108.66817  -111.62997
   23    22 S   O    _O2_    23     1.23068   122.24515  -148.14675
   24    20 S   CT   _CB2    32     1.53299   111.63827   125.90204
   25    24 S   HC   HB21    33     1.09544   110.15926    56.10461
   26    24 S   HC   HB22    34     1.09530   110.06697   175.19050
   27    22 S   N    _N3_    24     1.38310   113.75622    39.28591
   28    27 S   H    _HN3    25     1.01576   119.59853    -3.25546
   29    24 S   S    _SG2    35     1.82713   111.57825   -65.21482
   30    27 S   CT   _CA3    26     1.45287   123.24541   177.17950
   31    30 S   HC   HA31    27     1.09548   107.50175   -64.86632
   32    30 S   HC   HA32    28     1.09555   108.00246    51.58408
   33    29 S   CT   _C13    36     1.83607    99.51793  -178.97035
   34    33 S   HC   _H3_    37     1.09159   107.39068    31.23993
   35    30 S   CO3  _C3_    29     1.52970   114.05802   173.57865
   36    35 S   O2Z  _O31    30     1.26381   116.06338    -0.91813
   37    35 S   O2Z  _O32    31     1.26428   114.41426   179.14820
   38    33 S   CT   _C10    38     1.56547   114.50448   151.91908
   39    38 S   HC   _H25    39     1.10154   106.26040   169.50941
   40    33 S   NT   _N11    62     1.46695   109.70917   -83.24795
   41    40 S   H    _H28    63     1.02112   108.62264   -62.89349
   42    40 S   H    _H29    64     1.01847   109.10260    51.91128
   43    38 S   CO4  _C4_    40     1.53596   112.05591    58.15552
   44    43 S   O    _O33    41     1.22974   122.55297    23.98988
   45    43 S   OS   _O14    42     1.35285   117.59360  -163.44050
   46    45 S   CT   _C9_    43     1.43257   123.09886    25.86284
   47    46 S   HC   _H23    44     1.09515   107.18947  -158.08852
   48    46 S   HC   _H24    45     1.09557   107.88637    87.09662
   49    46 S   CT   _C8_    46     1.51252   113.25181   -37.18544
   50    49 S   HC   _H21    47     1.09495   107.37215   175.49794
   51    49 S   HC   _H22    48     1.09634   109.39787   -67.63739
   52    38 S   CT   _C11    49     1.56331   114.73229   -73.60637
   53    52 S   CT   _C12    50     1.56447   113.28079   -56.90560
   54    53 S   HC   _H26    51     1.09755   108.71023    65.08848
   55    52 S   OH   _O15    60     1.43425   108.28431    61.61721
   56    55 S   HO   _H30    61     0.97267   108.50031   175.08418
   57    53 S   CM   _C6_    52     1.51366   115.07611  -175.78481
   58    57 S   HC   _H19    53     1.08780   118.15230    66.43588
   59    53 S   CO4  _C7_    57     1.52270   112.49473   -52.03466
   60    59 S   O    _O13    58     1.22720   124.94990   -90.30967
   61    59 S   HC   _H20    59     1.10419   115.01805    87.28429
   62    57 S   CM   _C5_    54     1.33892   123.98518  -114.70068
   63    62 S   HC   _H17    55     1.08492   120.44422  -179.38579
   64    62 S   HC   _H18    56     1.08462   121.74580     0.65909
  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   9   5   4   3
  13   7   2   1   1  18   8   4   1   1   9   3   7   8   5   4
   9   4   3  10  11   7   3   1   7   4   3   1   1   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    52    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    45    49    52    53    55    40    41    42  
   38    39    43    52    40    41    42  
   36    37  
   37  
    0  
   39    43    44    45    46    49    50    51    52    53    54    57    59    55    56    40    41    42  
   43    44    45    49    52    53    55    40  
   41    42    43    52  
   42  
    0  
   44    45    46    47    48    49    52    53    55  
   45    46    52  
   46    47    48    49    50    51    52  
   47    48    49    50    51    52    53    55  
   48    49    50    51    52  
   49    50    51    52  
   50    51    52    53    54    57    59    55    56  
   51    52    53    55  
   52    53    55  
   53    54    57    58    62    59    60    61    55    56  
   54    57    58    62    63    64    59    60    61    55    56  
   57    58    62    59    60    61    55  
   56    57    59  
    0  
   58    62    63    64    59    60    61  
   62    63    64    59  
   60    61    62  
   61  
    0  
   63    64  
   64  
    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   0.287500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0150   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.3000   0.1700  -0.900000   1.8650   1.6500   0.051222218  -2.220205820
   41   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   42   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   43   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   46   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   48   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   61   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   2.4200   0.0300   0.115000   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    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    40   382.000  1.448
   38    39   340.000  1.090
   38    43   317.000  1.522
   38    52   268.000  1.529
   43    44   570.000  1.229
   43    45   214.000  1.327
   45    46   320.000  1.410
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   268.000  1.529
   52    53   268.000  1.529
   52    55   320.000  1.410
   53    54   340.000  1.090
   53    57   317.000  1.510
   53    59   317.000  1.522
   57    58   340.000  1.080
   57    62   549.000  1.340
   62    63   340.000  1.080
   62    64   340.000  1.080
   59    60   570.000  1.229
   59    61   340.000  1.090
   55    56   553.000  0.945
   40    41   434.000  1.010
   40    42   434.000  1.010
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    40    85.00000  109.00000
   33    38    39    37.50000  110.70000
   33    38    43    63.00000  111.10000
   33    38    52    58.35000  112.70000
   33    40    41    35.00000  109.50000
   33    40    42    35.00000  109.50000
   38    33    34    37.50000  110.70000
   38    43    44    80.00000  120.40000
   38    43    45    81.00000  111.40000
   38    52    49    58.35000  112.70000
   38    52    53    58.35000  112.70000
   38    52    55    50.00000  109.50000
   43    38    39    35.00000  109.50000
   43    45    46    83.00000  116.90000
   45    43    44    83.00000  123.40000
   45    46    47    35.00000  109.50000
   45    46    48    35.00000  109.50000
   45    46    49    50.00000  109.50000
   46    49    50    37.50000  110.70000
   46    49    51    37.50000  110.70000
   46    49    52    58.35000  112.70000
   48    46    47    33.00000  107.80000
   49    46    47    37.50000  110.70000
   49    46    48    37.50000  110.70000
   49    52    53    58.35000  112.70000
   49    52    55    50.00000  109.50000
   51    49    50    33.00000  107.80000
   52    38    39    37.50000  110.70000
   52    38    43    63.00000  111.10000
   52    49    50    37.50000  110.70000
   52    49    51    37.50000  110.70000
   52    53    54    37.50000  110.70000
   52    53    57    70.00000  112.02700
   52    53    59    63.00000  111.10000
   52    55    56    55.00000  108.50000
   53    57    58    35.00000  117.00000
   53    57    62    70.00000  124.00000
   53    59    60    80.00000  120.40000
   53    59    61    35.00000  115.00000
   57    53    54    35.00000  109.50000
   57    62    63    35.00000  120.00000
   57    62    64    35.00000  120.00000
   62    57    58    35.00000  120.00000
   64    62    63    35.00000  117.00000
   59    53    54    35.00000  109.50000
   59    53    57    70.00000  109.06800
   61    59    60    35.00000  123.00000
   55    52    53    50.00000  109.50000
   40    33    34    35.00000  109.50000
   40    33    38    56.20000  109.47000
   42    40    41    43.60000  106.40000
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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    38    52   0.44750  1.0 1.0
   29    33    38    52  -0.17800 -1.0 2.0
   29    33    38    52   0.20200  1.0 3.0
   29    33    40    41  -0.05900  1.0 1.0
   29    33    40    41   0.08350 -1.0 2.0
   29    33    40    41   0.12500  1.0 3.0
   29    33    40    42  -0.05900  1.0 1.0
   29    33    40    42   0.08350 -1.0 2.0
   29    33    40    42   0.12500  1.0 3.0
   33    38    43    44   0.30150 -1.0 2.0
   33    38    43    45   0.36750  1.0 3.0
   33    38    52    49   0.56750  1.0 1.0
   33    38    52    49  -0.07550 -1.0 2.0
   33    38    52    49   0.20000  1.0 3.0
   33    38    52    53   0.56750  1.0 1.0
   33    38    52    53  -0.07550 -1.0 2.0
   33    38    52    53   0.20000  1.0 3.0
   33    38    52    55   0.86500  1.0 1.0
   33    38    52    55  -0.17500 -1.0 2.0
   33    38    52    55   0.20800  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    43  -0.11250  1.0 3.0
   34    33    38    52   0.15000  1.0 3.0
   34    33    40    41   0.20000  1.0 3.0
   34    33    40    42   0.20000  1.0 3.0
   38    33    40    41  -0.05950  1.0 1.0
   38    33    40    41   0.08850 -1.0 2.0
   38    33    40    41   0.11750  1.0 3.0
   38    33    40    42  -0.05950  1.0 1.0
   38    33    40    42   0.08850 -1.0 2.0
   38    33    40    42   0.11750  1.0 3.0
   38    43    45    46   1.63150  1.0 1.0
   38    43    45    46   2.92000 -1.0 2.0
   38    52    53    54   0.15000  1.0 3.0
   38    52    53    57   0.34400  1.0 1.0
   38    52    53    57   0.09450 -1.0 2.0
   38    52    53    57   0.11100  1.0 3.0
   38    52    53    59  -0.95700  1.0 1.0
   38    52    53    59  -0.18200 -1.0 2.0
   38    52    53    59   0.29450  1.0 3.0
   38    52    55    56  -0.11600  1.0 1.0
   38    52    55    56  -0.09450 -1.0 2.0
   38    52    55    56   0.21250  1.0 3.0
   39    38    43    44   0.00000  1.0 1.0
   39    38    43    45   0.00000  1.0 1.0
   39    38    52    49   0.15000  1.0 3.0
   39    38    52    53   0.15000  1.0 3.0
   39    38    52    55   0.23400  1.0 3.0
   43    38    52    49  -0.95700  1.0 1.0
   43    38    52    49  -0.18200 -1.0 2.0
   43    38    52    49   0.29450  1.0 3.0
   43    38    52    53  -0.95700  1.0 1.0
   43    38    52    53  -0.18200 -1.0 2.0
   43    38    52    53   0.29450  1.0 3.0
   43    38    52    55  -0.09450  1.0 1.0
   43    38    52    55  -1.12950 -1.0 2.0
   43    38    52    55   0.54000  1.0 3.0
   43    45    46    47   0.08050  1.0 3.0
   43    45    46    48   0.08050  1.0 3.0
   43    45   -46    49  -0.25900  1.0 1.0
   43    45   -46    49  -0.47000 -1.0 2.0
   43    45   -46    49   0.11750  1.0 3.0
   44    43    45    46   3.00000 -1.0 2.0
   45    46    49    50   0.23400  1.0 3.0
   45    46    49    51   0.23400  1.0 3.0
   45    46    49    52   0.62750  1.0 1.0
   45    46    49    52  -0.30950 -1.0 2.0
   45    46    49    52   0.27300  1.0 3.0
   46    49   -52    38   0.56750  1.0 1.0
   46    49   -52    38  -0.07550 -1.0 2.0
   46    49   -52    38   0.20000  1.0 3.0
   46    49    52    53   0.56750  1.0 1.0
   46    49    52    53  -0.07550 -1.0 2.0
   46    49    52    53   0.20000  1.0 3.0
   46    49    52    55   0.86500  1.0 1.0
   46    49    52    55  -0.17500 -1.0 2.0
   46    49    52    55   0.20800  1.0 3.0
   47    46    49    50   0.15000  1.0 3.0
   47    46    49    51   0.15000  1.0 3.0
   47    46    49    52   0.15000  1.0 3.0
   48    46    49    50   0.15000  1.0 3.0
   48    46    49    51   0.15000  1.0 3.0
   48    46    49    52   0.15000  1.0 3.0
   49    52    53    54   0.15000  1.0 3.0
   49    52    53    57   0.34400  1.0 1.0
   49    52    53    57   0.09450 -1.0 2.0
   49    52    53    57   0.11100  1.0 3.0
   49    52    53    59  -0.95700  1.0 1.0
   49    52    53    59  -0.18200 -1.0 2.0
   49    52    53    59   0.29450  1.0 3.0
   49    52    55    56  -0.11600  1.0 1.0
   49    52    55    56  -0.09450 -1.0 2.0
   49    52    55    56   0.21250  1.0 3.0
   50    49    52    38   0.15000  1.0 3.0
   50    49    52    53   0.15000  1.0 3.0
   50    49    52    55   0.23400  1.0 3.0
   51    49    52    38   0.15000  1.0 3.0
   51    49    52    53   0.15000  1.0 3.0
   51    49    52    55   0.23400  1.0 3.0
   52    38    43    44   0.30150 -1.0 2.0
   52    38   -43    45   0.36750  1.0 3.0
   52    53    57    58   0.00000  1.0 1.0
   52    53    57    62   0.09850  1.0 1.0
   52    53    57    62   0.15250 -1.0 2.0
   52    53    57    62  -0.50650  1.0 3.0
   52    53    59    60   0.30150 -1.0 2.0
   52    53    59    61   0.74550  1.0 1.0
   52    53    59    61  -0.00500 -1.0 2.0
   53    52    55    56  -0.11600  1.0 1.0
   53    52    55    56  -0.09450 -1.0 2.0
   53    52    55    56   0.21250  1.0 3.0
   53    57    62    63   7.00000 -1.0 2.0
   53    57    62    64   7.00000 -1.0 2.0
   54    53    57    58   0.33100  1.0 3.0
   54    53    57    62   0.00000  1.0 1.0
   54    53    59    60   0.00000  1.0 1.0
   54    53    59    61   0.00000  1.0 1.0
   57    53    59    60   0.30150 -1.0 2.0
   57    53    59    61   0.81450  1.0 1.0
   57    53    59    61  -0.29600 -1.0 2.0
   57    53    59    61   0.60450  1.0 3.0
   58    57    62    63   7.00000 -1.0 2.0
   58    57    62    64   7.00000 -1.0 2.0
   59    53    57    58   0.00000  1.0 1.0
   59    53    57    62  -0.51250  1.0 1.0
   59    53    57    62  -0.88800 -1.0 2.0
   59    53    57    62   0.08850  1.0 3.0
   55    52    53    54   0.23400  1.0 3.0
   55    52    53    57   1.05650  1.0 1.0
   55    52    53    57   0.15600 -1.0 2.0
   55    52    53    57   0.53150  1.0 3.0
   55    52    53    59  -0.09450  1.0 1.0
   55    52    53    59  -1.12950 -1.0 2.0
   55    52    53    59   0.54000  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    43  -3.56550  1.0 1.0
   40    33    38    43  -0.67500 -1.0 2.0
   40    33    38    43   1.11300  1.0 3.0
   40    33    38    52   1.53400  1.0 1.0
   40    33    38    52  -0.09950 -1.0 2.0
   40    33    38    52   0.05700  1.0 3.0
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
   37    30    35    36  10.50000 -1.0 2.0
   38    45    43    44  10.50000 -1.0 2.0
   53    58    57    62  15.00000 -1.0 2.0
   63    64    62    57  15.00000 -1.0 2.0
   53    61    59    60  10.50000 -1.0 2.0
END
