* LIGAND DATABASE FILE (OPLS2005)
*
001      75    76    142    220     422
    1     0 S   NP   _N1_     1    31.24288    90.07380   -24.46341
    2     1 S   H    _HN1     2     1.02840    24.04737   -85.04291
    3     1 S   H    _H1_     3     1.02774   131.81730   -79.12360
    4     1 S   H    _H2_     4     1.02958    93.81191    39.76059
    5     1 S   CT   _CA1     5     1.50115    98.09051   151.00612
    6     5 S   HC   _HA1     6     1.09575   105.22453    80.39778
    7     5 S   CO3  _C1_     7     1.53786   112.37686   -39.80315
    8     7 S   O2Z  _O11     8     1.26360   114.99470   -43.77556
    9     7 S   O2Z  _O12     9     1.26236   114.91924   135.39317
   10     5 S   CT   _CB1    10     1.53105   107.45165  -161.68065
   11    10 S   HC   HB11    11     1.09826   109.33912   -50.64812
   12    10 S   HC   HB12    12     1.09818   110.42869    65.91485
   13    10 S   CT   _CG1    13     1.53017   112.65537  -171.73053
   14    13 S   HC   HG11    14     1.09594   110.46492   -63.97875
   15    13 S   HC   HG12    15     1.09654   109.95178    55.24265
   16    13 S   C    _CD1    16     1.51807   112.33141   175.60546
   17    16 S   O    _OE1    17     1.22728   123.24286    -1.36859
   18    16 S   N    _N2_    18     1.38655   111.63704   179.14614
   19    18 S   H    _HN2    19     1.01564   118.98067     2.72793
   20    18 S   CT1  _CA2    20     1.46254   123.52821  -179.62154
   21    20 S   HC   _HA2    21     1.09321   108.83608     6.11917
   22    20 S   C    _C2_    22     1.53580   108.81038  -109.39119
   23    22 S   O    _O2_    23     1.23040   122.15987  -143.81360
   24    20 S   CT   _CB2    32     1.53285   111.48175   128.14522
   25    24 S   HC   HB21    33     1.09670   109.38602    57.68086
   26    24 S   HC   HB22    34     1.09477   111.55140   174.98882
   27    22 S   N    _N3_    24     1.38548   113.70635    43.26301
   28    27 S   H    _HN3    25     1.01449   119.00247    -2.20921
   29    24 S   S    _SG2    35     1.82868   113.27674   -60.97774
   30    27 S   CT   _CA3    26     1.45417   123.49199   175.92898
   31    30 S   HC   HA31    27     1.09507   110.11133    15.31232
   32    30 S   HC   HA32    28     1.09524   107.03652   132.17215
   33    29 S   CT   _C5_    36     1.83733   100.71302   -94.51788
   34    33 S   HC   _H3_    37     1.09497   106.12526   -48.15093
   35    30 S   CO3  _C3_    29     1.52597   111.91017  -107.44943
   36    35 S   O2Z  _O31    30     1.26391   115.07550   -88.59069
   37    35 S   O2Z  _O32    31     1.26331   115.38925    90.85658
   38    33 S   CM   _C6_    38     1.53373   112.53722    74.21108
   39    33 S   CT   _C4_    72     1.53205   108.39628  -161.45646
   40    39 S   HC   _H8_    73     1.09582   112.64117   -58.63597
   41    39 S   HC   _H9_    74     1.09614   110.55645  -179.14774
   42    39 S   HC   _H10    75     1.09638   110.93274    62.17088
   43    38 S   CMA  _C7_    39     1.36873   122.16212  -117.70271
   44    43 S   OM   _O33    40     1.26867   125.32180     1.42601
   45    38 S   CT   _C16    68     1.51999   115.43093    64.62400
   46    45 S   HC   _H22    69     1.09373   111.26365   -50.25477
   47    45 S   HC   _H23    70     1.09374   113.68966  -169.55208
   48    45 S   HC   _H24    71     1.09451   110.18945    70.00178
   49    43 S   OS   _O34    41     1.41605   111.62920  -175.88153
   50    49 S   CT   _C8_    42     1.43804   117.35319  -144.25504
   51    50 S   HC   _H11    43     1.09617   110.23507   -47.19192
   52    50 S   CT   _C9_    44     1.54083   110.48199    74.74184
   53    52 S   HC   _H12    45     1.09802   109.35813    35.73060
   54    52 S   HC   _H13    46     1.09585   109.37046   -79.30534
   55    50 S   CT   _C14    55     1.54198   106.54588  -163.39118
   56    55 S   HC   _H14    56     1.09718   109.09587    76.00034
   57    55 S   HC   _H15    57     1.09895   109.42502   -38.39872
   58    52 S   CT   _C10    47     1.53493   113.39458   157.96373
   59    58 S   HC   _H4_    48     1.09295   110.69342  -176.05454
   60    58 S   CT   _C11    49     1.53777   114.73219    54.41072
   61    60 S   HC   _H5_    50     1.09700   109.27849   156.59905
   62    60 S   CT   _C12    51     1.54366   105.18954   -87.06988
   63    62 S   HC   _H6_    52     1.09694   108.52189  -117.16675
   64    60 S   OH   _O36    66     1.41501   113.02982    36.79237
   65    64 S   HO   _H21    67     0.97694   107.27677    62.95215
   66    62 S   CT   _C13    53     1.53831   105.20859    -0.31837
   67    66 S   HC   _H7_    54     1.09510   112.83002  -144.57633
   68    62 S   OH   _O35    64     1.41546   113.17310   123.51255
   69    68 S   HO   _H20    65     0.97213   107.94981   179.60435
   70    58 S   NP   _N4_    58     1.51829   106.06866   -58.63026
   71    70 S   H    _H16    59     1.02989   109.29978   -39.80620
   72    70 S   CT   _C15    60     1.49938   114.95868  -158.74682
   73    72 S   HC   _H17    61     1.09197   109.90846   -59.03178
   74    72 S   HC   _H18    62     1.09296   107.69147    61.73444
   75    72 S   HC   _H19    63     1.09291   107.64150  -179.72094
  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  12   5   2   1   1  10   3   4   2   1   1
  10  14   8  15   6   5  12   5   4  16   8  12   7  10   6   4
   1   9   4   2   1   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    43    45    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    44    49    45    46    47    48    39    40    41    42  
   38    43    45    39    40    41    42  
   36    37  
   37  
    0  
   43    44    49    50    45    46    47    48    39    40    41    42  
   40    41    42    43    45  
   41    42  
   42  
    0  
   44    49    50    51    52    55    45    46    47    48  
   49    50    45  
   46    47    48    49  
   47    48  
   48  
    0  
   50    51    52    53    54    58    66    55    56    57  
   51    52    53    54    58    59    60    62    66    67    55    56    57    70  
   52    53    54    58    66    55    56    57  
   53    54    58    59    60    61    62    66    55    56    57    70    71    72    64  
   54    58    59    60    55    70  
   58    59    60    55    70  
   56    57    70    71    72    68    58    60    62    63    66    67  
   57    70    62    66    67  
   70    62    66    67  
   59    60    61    62    63    66    67    70    71    72    73    74    75    68    64    65  
   60    61    62    66    70    71    72    64  
   61    62    63    66    67    70    71    72    68    69    64    65  
   62    63    66    70    68    64    65  
   63    66    67    70    71    72    68    69    64    65  
   66    67    70    68    69    64  
   65    66    68    70  
    0  
   67    70    71    72    73    74    75    68    69  
   70    71    72    68  
   69    70  
    0  
   71    72    73    74    75  
   72    73    74    75  
   73    74    75  
   74    75  
   75  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   58   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   60   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   62   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   64   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   65   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5000   0.0660   0.210000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.2500   0.1700  -0.100000   2.1950   1.9500   0.003973653   1.685851020
   71   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.6450   1.4500   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   317.000  1.510
   33    39   268.000  1.529
   38    43   465.000  1.376
   38    45   317.000  1.510
   43    44   745.000  1.250
   43    49   440.000  1.360
   49    50   320.000  1.410
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    55   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    58   268.000  1.529
   58    59   340.000  1.090
   58    60   268.000  1.529
   58    70   367.000  1.471
   60    61   340.000  1.090
   60    62   268.000  1.529
   60    64   320.000  1.410
   62    63   340.000  1.090
   62    66   268.000  1.529
   62    68   320.000  1.410
   66    67   340.000  1.090
   66    55   268.000  1.529
   66    70   367.000  1.471
   55    56   340.000  1.090
   55    57   340.000  1.090
   70    71   434.000  1.010
   70    72   367.000  1.471
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   68    69   553.000  0.945
   64    65   553.000  0.945
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
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  112.20000
   29    33    39    75.00000  111.63000
   33    38    43    70.00000  124.00000
   33    38    45    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    65.00000  137.10300
   38    43    49    80.00000  120.01400
   38    45    46    35.00000  109.50000
   38    45    47    35.00000  109.50000
   38    45    48    35.00000  109.50000
   43    49    50    90.00000  111.18400
   49    43    44    65.00000  121.00000
   49    50    51    35.00000  109.50000
   49    50    52    50.00000  109.50000
   49    50    55    50.00000  109.50000
   50    52    53    37.50000  110.70000
   50    52    54    37.50000  110.70000
   50    52    58    58.35000  112.70000
   50    55    66    58.35000  112.70000
   50    55    56    37.50000  110.70000
   50    55    57    37.50000  110.70000
   52    50    51    37.50000  110.70000
   52    58    59    37.50000  110.70000
   52    58    60    58.35000  112.70000
   52    58    70    80.00000  111.20000
   54    52    53    33.00000  107.80000
   58    52    53    37.50000  110.70000
   58    52    54    37.50000  110.70000
   58    60    61    37.50000  110.70000
   58    60    62    58.35000  112.70000
   58    60    64    50.00000  109.50000
   58    70    66    75.00000  113.01200
   58    70    71    35.00000  109.50000
   58    70    72    75.00000  113.01200
   60    58    59    37.50000  110.70000
   60    62    63    37.50000  110.70000
   60    62    66    58.35000  112.70000
   60    62    68    50.00000  109.50000
   60    64    65    55.00000  108.50000
   62    60    61    37.50000  110.70000
   62    66    67    37.50000  110.70000
   62    66    55    58.35000  112.70000
   62    66    70    80.00000  111.20000
   62    68    69    55.00000  108.50000
   66    62    63    37.50000  110.70000
   66    55    56    37.50000  110.70000
   66    55    57    37.50000  110.70000
   66    70    71    35.00000  109.50000
   66    70    72    75.00000  113.01200
   55    50    51    37.50000  110.70000
   55    50    52    58.35000  112.70000
   55    66    67    37.50000  110.70000
   57    55    56    33.00000  107.80000
   70    58    59    35.00000  109.50000
   70    58    60    80.00000  111.20000
   70    66    67    35.00000  109.50000
   70    66    55    80.00000  111.20000
   70    72    73    35.00000  109.50000
   70    72    74    35.00000  109.50000
   70    72    75    35.00000  109.50000
   72    70    71    35.00000  109.50000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   68    62    63    35.00000  109.50000
   68    62    66    50.00000  109.50000
   64    60    61    35.00000  109.50000
   64    60    62    50.00000  109.50000
   45    38    43    70.00000  124.00000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   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    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    38    45   0.30250  1.0 1.0
   29    33    38    45  -0.14950 -1.0 2.0
   29    33    38    45   0.36900  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    49   7.00000 -1.0 2.0
   33    38    45    46   0.34800  1.0 3.0
   33    38    45    47   0.34800  1.0 3.0
   33    38    45    48   0.34800  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    38    45   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    42   0.15000  1.0 3.0
   38    43    49    50  -2.26850  1.0 1.0
   38    43    49    50   3.39050 -1.0 2.0
   43    38    45    46   0.00000  1.0 1.0
   43    38    45    47   0.00000  1.0 1.0
   43    38    45    48   0.00000  1.0 1.0
   43    49    50    51   0.08050  1.0 3.0
   43    49    50    52  -0.46850  1.0 1.0
   43    49    50    52   0.09300 -1.0 2.0
   43    49    50    52  -0.12850  1.0 3.0
   43    49    50    55  -0.46850  1.0 1.0
   43    49    50    55   0.09300 -1.0 2.0
   43    49    50    55  -0.12850  1.0 3.0
   44    43    49    50   2.00000 -1.0 2.0
   49    50    52    53   0.23400  1.0 3.0
   49    50    52    54   0.23400  1.0 3.0
   49    50    52    58   0.62750  1.0 1.0
   49    50    52    58  -0.30950 -1.0 2.0
   49    50    52    58   0.27300  1.0 3.0
   49    50    55    66   0.62750  1.0 1.0
   49    50    55    66  -0.30950 -1.0 2.0
   49    50    55    66   0.27300  1.0 3.0
   49    50    55    56   0.23400  1.0 3.0
   49    50    55    57   0.23400  1.0 3.0
   50    52    58    59   0.15000  1.0 3.0
   50    52    58    60   0.56750  1.0 1.0
   50    52    58    60  -0.07550 -1.0 2.0
   50    52    58    60   0.20000  1.0 3.0
   50    52    58    70   1.36600  1.0 1.0
   50    52    58    70  -0.11450 -1.0 2.0
   50    52    58    70   0.24250  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    54   0.15000  1.0 3.0
   51    50    52    58   0.15000  1.0 3.0
   51    50    55    66   0.15000  1.0 3.0
   51    50    55    56   0.15000  1.0 3.0
   51    50    55    57   0.15000  1.0 3.0
   52    50    55    66   0.56750  1.0 1.0
   52    50    55    66  -0.07550 -1.0 2.0
   52    50    55    66   0.20000  1.0 3.0
   52    50    55    56   0.15000  1.0 3.0
   52    50    55    57   0.15000  1.0 3.0
   52    58    60    61   0.15000  1.0 3.0
   52    58    60    62   0.56750  1.0 1.0
   52    58    60    62  -0.07550 -1.0 2.0
   52    58    60    62   0.20000  1.0 3.0
   52    58    60    64   0.86500  1.0 1.0
   52    58    60    64  -0.17500 -1.0 2.0
   52    58    60    64   0.20800  1.0 3.0
   52    58   -70    66   0.47100  1.0 1.0
   52    58    70    71   0.17350  1.0 3.0
   52    58    70    72   0.47100  1.0 1.0
   53    52    58    59   0.15000  1.0 3.0
   53    52    58    60   0.15000  1.0 3.0
   53    52    58    70   0.19200  1.0 3.0
   54    52    58    59   0.15000  1.0 3.0
   54    52    58    60   0.15000  1.0 3.0
   54    52    58    70   0.19200  1.0 3.0
   58    60    62    63   0.15000  1.0 3.0
   58    60   -62    66   0.56750  1.0 1.0
   58    60   -62    66  -0.07550 -1.0 2.0
   58    60   -62    66   0.20000  1.0 3.0
   58    60    62    68   0.86500  1.0 1.0
   58    60    62    68  -0.17500 -1.0 2.0
   58    60    62    68   0.20800  1.0 3.0
   58    60    64    65  -0.11600  1.0 1.0
   58    60    64    65  -0.09450 -1.0 2.0
   58    60    64    65   0.21250  1.0 3.0
   58    70    72    73   0.15000  1.0 3.0
   58    70    72    74   0.15000  1.0 3.0
   58    70    72    75   0.15000  1.0 3.0
   59    58    60    61   0.15000  1.0 3.0
   59    58    60    62   0.15000  1.0 3.0
   59    58    60    64   0.23400  1.0 3.0
   59    58    70    66   0.15000  1.0 3.0
   59    58    70    71   0.13050  1.0 3.0
   59    58    70    72   0.15000  1.0 3.0
   60    58   -70    66   0.47100  1.0 1.0
   60    58    70    71   0.17350  1.0 3.0
   60    58    70    72   0.47100  1.0 1.0
   60    62    66    67   0.15000  1.0 3.0
   60    62    66    55   0.56750  1.0 1.0
   60    62    66    55  -0.07550 -1.0 2.0
   60    62    66    55   0.20000  1.0 3.0
   60    62   -66    70   1.36600  1.0 1.0
   60    62   -66    70  -0.11450 -1.0 2.0
   60    62   -66    70   0.24250  1.0 3.0
   60    62    68    69  -0.11600  1.0 1.0
   60    62    68    69  -0.09450 -1.0 2.0
   60    62    68    69   0.21250  1.0 3.0
   61    60    62    63   0.15000  1.0 3.0
   61    60    62    66   0.15000  1.0 3.0
   61    60    62    68   0.23400  1.0 3.0
   61    60    64    65   0.19450  1.0 3.0
   62    60    64    65  -0.11600  1.0 1.0
   62    60    64    65  -0.09450 -1.0 2.0
   62    60    64    65   0.21250  1.0 3.0
   62    66    55    50   0.56750  1.0 1.0
   62    66    55    50  -0.07550 -1.0 2.0
   62    66    55    50   0.20000  1.0 3.0
   62    66    55    56   0.15000  1.0 3.0
   62    66    55    57   0.15000  1.0 3.0
   62    66   -70    58   0.47100  1.0 1.0
   62    66    70    71   0.17350  1.0 3.0
   62    66    70    72   0.47100  1.0 1.0
   63    62    66    67   0.15000  1.0 3.0
   63    62    66    55   0.15000  1.0 3.0
   63    62    66    70   0.19200  1.0 3.0
   63    62    68    69   0.19450  1.0 3.0
   66    62    68    69  -0.11600  1.0 1.0
   66    62    68    69  -0.09450 -1.0 2.0
   66    62    68    69   0.21250  1.0 3.0
   66    70    72    73   0.15000  1.0 3.0
   66    70    72    74   0.15000  1.0 3.0
   66    70    72    75   0.15000  1.0 3.0
   67    66    55    50   0.15000  1.0 3.0
   67    66    55    56   0.15000  1.0 3.0
   67    66    55    57   0.15000  1.0 3.0
   67    66    70    58   0.15000  1.0 3.0
   67    66    70    71   0.13050  1.0 3.0
   67    66    70    72   0.15000  1.0 3.0
   55    50    52    53   0.15000  1.0 3.0
   55    50    52    54   0.15000  1.0 3.0
   55    50    52    58   0.56750  1.0 1.0
   55    50    52    58  -0.07550 -1.0 2.0
   55    50    52    58   0.20000  1.0 3.0
   55    66   -70    58   0.47100  1.0 1.0
   55    66    70    71   0.17350  1.0 3.0
   55    66    70    72   0.47100  1.0 1.0
   70    58    60    61   0.19200  1.0 3.0
   70    58   -60    62   1.36600  1.0 1.0
   70    58   -60    62  -0.11450 -1.0 2.0
   70    58   -60    62   0.24250  1.0 3.0
   70    58    60    64   1.69300  1.0 1.0
   70    58    60    64  -0.48450 -1.0 2.0
   70    66   -55    50   1.36600  1.0 1.0
   70    66   -55    50  -0.11450 -1.0 2.0
   70    66   -55    50   0.24250  1.0 3.0
   70    66    55    56   0.19200  1.0 3.0
   70    66    55    57   0.19200  1.0 3.0
   71    70    72    73   0.13050  1.0 3.0
   71    70    72    74   0.13050  1.0 3.0
   71    70    72    75   0.13050  1.0 3.0
   68    62    66    67   0.23400  1.0 3.0
   68    62    66    55   0.86500  1.0 1.0
   68    62    66    55  -0.17500 -1.0 2.0
   68    62    66    55   0.20800  1.0 3.0
   68    62    66    70   1.69300  1.0 1.0
   68    62    66    70  -0.48450 -1.0 2.0
   64    60    62    63   0.23400  1.0 3.0
   64    60    62    66   0.86500  1.0 1.0
   64    60    62    66  -0.17500 -1.0 2.0
   64    60    62    66   0.20800  1.0 3.0
   64    60    62    68   3.75450  1.0 1.0
   45    38    43    44   7.00000 -1.0 2.0
   45    38    43    49   7.00000 -1.0 2.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   39    33    38    45   0.46850  1.0 1.0
   39    33    38    45   0.08550 -1.0 2.0
   39    33    38    45   0.09800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    45    38    43  15.00000 -1.0 2.0
   44    49    43    38  15.00000 -1.0 2.0
END
