* LIGAND DATABASE FILE (OPLS2005)
*
001      72    74    140    220     413
    1     0 S   NP   _N1_     1    28.82896    94.98888   -21.45593
    2     1 S   H    _HN1     2     1.02831    34.15659   153.67006
    3     1 S   H    _H1_     3     1.02781    94.61211   -90.84567
    4     1 S   H    _H2_     4     1.02950    82.27024    17.12553
    5     1 S   CT   _CA1     5     1.50144   143.29103   131.08377
    6     5 S   HC   _HA1     6     1.09567   105.16954    72.51489
    7     5 S   CO3  _C1_     7     1.53796   112.51291   -47.65708
    8     7 S   O2Z  _O11     8     1.26376   114.98641   -38.66257
    9     7 S   O2Z  _O12     9     1.26238   114.99482   140.47642
   10     5 S   CT   _CB1    10     1.53095   107.41920  -169.41890
   11    10 S   HC   HB11    11     1.09826   109.39919   -48.38789
   12    10 S   HC   HB12    12     1.09821   110.39917    68.25512
   13    10 S   CT   _CG1    13     1.52988   112.66284  -169.38051
   14    13 S   HC   HG11    14     1.09576   110.51021   -65.28856
   15    13 S   HC   HG12    15     1.09662   109.89529    53.93917
   16    13 S   C    _CD1    16     1.51831   112.32505   174.33998
   17    16 S   O    _OE1    17     1.22722   123.29214     3.00127
   18    16 S   N    _N2_    18     1.38623   111.59756  -177.16883
   19    18 S   H    _HN2    19     1.01584   118.94073     1.75111
   20    18 S   CT1  _CA2    20     1.46340   123.51913  -179.87180
   21    20 S   HC   _HA2    21     1.09732   109.39562    -5.27477
   22    20 S   C    _C2_    22     1.53390   108.51852  -120.87233
   23    22 S   O    _O2_    23     1.23034   122.36696  -148.22593
   24    20 S   CT   _CB2    32     1.53350   111.17035   116.74387
   25    24 S   HC   HB21    33     1.09573   109.56433    56.04598
   26    24 S   HC   HB22    34     1.09491   110.98838   174.85715
   27    22 S   N    _N3_    24     1.38364   113.51731    39.28360
   28    27 S   H    _HN3    25     1.01629   119.48864    -3.62423
   29    24 S   S    _SG2    35     1.82577   110.99754   -65.51810
   30    27 S   CT   _CA3    26     1.45286   123.16207   176.96739
   31    30 S   HC   HA31    27     1.09551   107.52575   -63.86168
   32    30 S   HC   HA32    28     1.09557   107.95027    52.55079
   33    29 S   CT   _C18    36     1.81904    99.38685   148.86469
   34    33 S   HC   _H3_    37     1.09509   110.36725   -43.39708
   35    33 S   HC   _H4_    38     1.09443   108.32290    73.92114
   36    30 S   CO3  _C3_    29     1.52943   114.12325   174.52958
   37    36 S   O2Z  _O31    30     1.26370   116.05903    -0.90784
   38    36 S   O2Z  _O32    31     1.26429   114.41294   179.15420
   39    33 S   CM   _C6_    39     1.49491   109.87251  -163.67157
   40    39 S   CMA  _C7_    40     1.35482   128.67666  -103.85655
   41    40 S   OM   _O16    41     1.26260   128.32638     2.10487
   42    40 S   OS   _O17    42     1.43998   108.98860  -176.38470
   43    42 S   CT   _C14    43     1.43444   103.12311   -23.49915
   44    43 S   HC   _H30    44     1.10002   106.78291   -78.27086
   45    43 S   CT   _C12    45     1.54203   116.23041   159.14586
   46    45 S   HC   _H28    46     1.10204   106.13230   -59.97081
   47    39 S   CT   _C13    63     1.49167   122.04309    84.29157
   48    47 S   HC   _H29    64     1.10161   105.81577    86.30675
   49    45 S   CM   _C5_    47     1.52615   118.01100    55.82750
   50    49 S   CM   _C4_    48     1.34774   120.56855   153.80543
   51    50 S   HC   _H19    49     1.08744   119.67433   178.81123
   52    49 S   CT   _C16    69     1.50137   119.35235   -29.59789
   53    52 S   HC   _H31    70     1.09445   110.47187   -56.24188
   54    52 S   HC   _H32    71     1.09566   112.12714  -175.56085
   55    52 S   HC   _H33    72     1.09430   110.63675    65.01267
   56    50 S   CT   _C8_    50     1.50191   124.68904    -1.65906
   57    56 S   HC   _H20    51     1.09617   109.29322   127.80527
   58    56 S   HC   _H21    52     1.09679   108.07154  -116.71851
   59    56 S   CT   _C9_    53     1.53218   114.31156     5.29150
   60    59 S   HC   _H22    54     1.09868   108.56377    85.64856
   61    59 S   HC   _H23    55     1.09731   109.32757  -159.05958
   62    45 S   CT   _C15    56     1.57960   108.53158  -176.24647
   63    62 S   CT   _C11    57     1.55630   110.40681    54.63793
   64    63 S   HC   _H26    58     1.09625   110.33493  -175.29401
   65    63 S   HC   _H27    59     1.09832   109.20562    68.36556
   66    62 S   CT   _C17    65     1.55431   112.83052   -66.09867
   67    66 S   HC   _H34    66     1.09314   112.67909    66.20420
   68    66 S   HC   _H35    67     1.09364   112.93784   -54.52481
   69    66 S   HC   _H36    68     1.09623   110.40488  -174.40458
   70    63 S   CT   _C10    60     1.53803   113.42011   -52.50054
   71    70 S   HC   _H24    61     1.09627   109.16791   174.42441
   72    70 S   HC   _H25    62     1.09486   110.50197   -68.56193
  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   6   5   4   3
  10   4   3   2   1   1  12   8   3   9  15   7  23   8   9   4
  13  12   5   5   2   1   1   8   5   4  11   4   3  10   9   5
   4   4   2   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    47  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    70    47    48  
   35    39    40    47  
   39    40    47  
   37    38  
   38  
    0  
   40    41    42    43    44    45    63    70    71    72    47    48  
   41    42    43    44    45    70    47    48  
   42    43    47  
   43    44    45    46    49    62    70    47    48  
   44    45    46    49    50    59    62    63    70    71    72    47    48    66    52  
   45    46    49    62    70    47    48  
   46    49    50    51    56    59    60    61    62    63    64    65    70    47    48    66    67    68    69    52    53    54    55  
   49    50    59    62    63    47    66    52  
   48    49    62    63    64    65    70    71    72  
   63    70    71    72  
   50    51    56    57    58    59    62    63    66    52    53    54    55  
   51    56    57    58    59    60    61    62    52    53    54    55  
   56    57    58    59    52  
   53    54    55    56    62  
   54    55  
   55  
    0  
   57    58    59    60    61    62    63    66  
   58    59    60    61    62  
   59    60    61    62  
   60    61    62    63    64    65    70    66    67    68    69  
   61    62    63    66  
   62    63    66  
   63    64    65    70    71    72    66    67    68    69  
   64    65    70    71    72    66    67    68    69  
   65    70    71    72    66  
   70    71    72    66  
   67    68    69    70  
   68    69  
   69  
    0  
   71    72  
   72  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    47   317.000  1.510
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   340.000  1.090
   43    45   268.000  1.529
   43    47   268.000  1.529
   45    46   340.000  1.090
   45    49   317.000  1.510
   45    62   268.000  1.529
   49    50   549.000  1.340
   49    52   317.000  1.510
   50    51   340.000  1.080
   50    56   317.000  1.510
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   268.000  1.529
   62    63   268.000  1.529
   62    66   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    47   268.000  1.529
   47    48   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    47    65.00000  117.92700
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    42    80.00000  120.01400
   39    47    43    70.00000  112.02700
   39    47    70    70.00000  112.02700
   39    47    48    35.00000  109.50000
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    35.00000  109.50000
   42    43    45    50.00000  109.50000
   42    43    47    50.00000  109.50000
   43    45    46    37.50000  110.70000
   43    45    49    70.00000  112.02700
   43    45    62    58.35000  112.70000
   43    47    70    58.35000  112.70000
   43    47    48    37.50000  110.70000
   45    43    44    37.50000  110.70000
   45    49    50    70.00000  124.00000
   45    49    52    65.00000  117.92700
   45    62    59    58.35000  112.70000
   45    62    63    58.35000  112.70000
   45    62    66    58.35000  112.70000
   49    45    46    35.00000  109.50000
   49    50    51    35.00000  120.00000
   49    50    56    70.00000  124.00000
   49    52    53    35.00000  109.50000
   49    52    54    35.00000  109.50000
   49    52    55    35.00000  109.50000
   50    56    57    35.00000  109.50000
   50    56    58    35.00000  109.50000
   50    56    59    70.00000  112.02700
   56    50    51    35.00000  117.00000
   56    59    60    37.50000  110.70000
   56    59    61    37.50000  110.70000
   56    59    62    58.35000  112.70000
   58    56    57    33.00000  107.80000
   59    56    57    37.50000  110.70000
   59    56    58    37.50000  110.70000
   59    62    63    58.35000  112.70000
   59    62    66    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    45    46    37.50000  110.70000
   62    45    49    70.00000  112.02700
   62    59    60    37.50000  110.70000
   62    59    61    37.50000  110.70000
   62    63    64    37.50000  110.70000
   62    63    65    37.50000  110.70000
   62    63    70    58.35000  112.70000
   62    66    67    37.50000  110.70000
   62    66    68    37.50000  110.70000
   62    66    69    37.50000  110.70000
   63    70    71    37.50000  110.70000
   63    70    72    37.50000  110.70000
   63    70    47    58.35000  112.70000
   65    63    64    33.00000  107.80000
   70    63    64    37.50000  110.70000
   70    63    65    37.50000  110.70000
   70    47    48    37.50000  110.70000
   72    70    71    33.00000  107.80000
   47    39    40    70.00000  124.00000
   47    43    44    37.50000  110.70000
   47    43    45    58.35000  112.70000
   47    70    71    37.50000  110.70000
   47    70    72    37.50000  110.70000
   66    62    63    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   52    49    50    70.00000  124.00000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    47   0.30250  1.0 1.0
   29    33    39    47  -0.14950 -1.0 2.0
   29    33    39    47   0.36900  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    47    43   0.46850  1.0 1.0
   33    39    47    43   0.08550 -1.0 2.0
   33    39    47    43   0.09800  1.0 3.0
   33    39    47    70   0.46850  1.0 1.0
   33    39    47    70   0.08550 -1.0 2.0
   33    39    47    70   0.09800  1.0 3.0
   33    39    47    48   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    47   0.34800  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    47   0.34800  1.0 3.0
   39    40   -42    43  -2.26850  1.0 1.0
   39    40   -42    43   3.39050 -1.0 2.0
   40    39   -47    43   0.09850  1.0 1.0
   40    39   -47    43   0.15250 -1.0 2.0
   40    39   -47    43  -0.50650  1.0 3.0
   40    39    47    70   0.09850  1.0 1.0
   40    39    47    70   0.15250 -1.0 2.0
   40    39    47    70  -0.50650  1.0 3.0
   40    39    47    48   0.00000  1.0 1.0
   40    42    43    44   0.08050  1.0 3.0
   40    42    43    45  -0.46850  1.0 1.0
   40    42    43    45   0.09300 -1.0 2.0
   40    42    43    45  -0.12850  1.0 3.0
   40    42   -43    47  -0.46850  1.0 1.0
   40    42   -43    47   0.09300 -1.0 2.0
   40    42   -43    47  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43    45    46   0.23400  1.0 3.0
   42    43    45    49   0.61850  1.0 1.0
   42    43    45    49  -0.22750 -1.0 2.0
   42    43    45    49   0.15300  1.0 3.0
   42    43    45    62   0.62750  1.0 1.0
   42    43    45    62  -0.30950 -1.0 2.0
   42    43    45    62   0.27300  1.0 3.0
   42    43   -47    39   0.61850  1.0 1.0
   42    43   -47    39  -0.22750 -1.0 2.0
   42    43   -47    39   0.15300  1.0 3.0
   42    43    47    70   0.62750  1.0 1.0
   42    43    47    70  -0.30950 -1.0 2.0
   42    43    47    70   0.27300  1.0 3.0
   42    43    47    48   0.23400  1.0 3.0
   43    45    49    50   0.09850  1.0 1.0
   43    45    49    50   0.15250 -1.0 2.0
   43    45    49    50  -0.50650  1.0 3.0
   43    45    49    52   0.46850  1.0 1.0
   43    45    49    52   0.08550 -1.0 2.0
   43    45    49    52   0.09800  1.0 3.0
   43    45    62    59   0.56750  1.0 1.0
   43    45    62    59  -0.07550 -1.0 2.0
   43    45    62    59   0.20000  1.0 3.0
   43    45    62    63   0.56750  1.0 1.0
   43    45    62    63  -0.07550 -1.0 2.0
   43    45    62    63   0.20000  1.0 3.0
   43    45    62    66   0.56750  1.0 1.0
   43    45    62    66  -0.07550 -1.0 2.0
   43    45    62    66   0.20000  1.0 3.0
   44    43    45    46   0.15000  1.0 3.0
   44    43    45    49   0.15000  1.0 3.0
   44    43    45    62   0.15000  1.0 3.0
   44    43    47    39   0.15000  1.0 3.0
   44    43    47    70   0.15000  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   45    43    47    39   0.34400  1.0 1.0
   45    43    47    39   0.09450 -1.0 2.0
   45    43    47    39   0.11100  1.0 3.0
   45    43    47    70   0.56750  1.0 1.0
   45    43    47    70  -0.07550 -1.0 2.0
   45    43    47    70   0.20000  1.0 3.0
   45    43    47    48   0.15000  1.0 3.0
   45    49    50    51   7.00000 -1.0 2.0
   45    49    50    56   7.00000 -1.0 2.0
   45    49    52    53   0.34800  1.0 3.0
   45    49    52    54   0.34800  1.0 3.0
   45    49    52    55   0.34800  1.0 3.0
   45    62    63    64   0.15000  1.0 3.0
   45    62    63    65   0.15000  1.0 3.0
   45    62   -63    70   0.56750  1.0 1.0
   45    62   -63    70  -0.07550 -1.0 2.0
   45    62   -63    70   0.20000  1.0 3.0
   45    62    66    67   0.15000  1.0 3.0
   45    62    66    68   0.15000  1.0 3.0
   45    62    66    69   0.15000  1.0 3.0
   46    45    49    50   0.00000  1.0 1.0
   46    45    49    52   0.34800  1.0 3.0
   46    45    62    59   0.15000  1.0 3.0
   46    45    62    63   0.15000  1.0 3.0
   46    45    62    66   0.15000  1.0 3.0
   49    45    62    59   0.34400  1.0 1.0
   49    45    62    59   0.09450 -1.0 2.0
   49    45    62    59   0.11100  1.0 3.0
   49    45    62    63   0.34400  1.0 1.0
   49    45    62    63   0.09450 -1.0 2.0
   49    45    62    63   0.11100  1.0 3.0
   49    45    62    66   0.34400  1.0 1.0
   49    45    62    66   0.09450 -1.0 2.0
   49    45    62    66   0.11100  1.0 3.0
   49    50    56    57   0.00000  1.0 1.0
   49    50    56    58   0.00000  1.0 1.0
   49    50   -56    59   0.09850  1.0 1.0
   49    50   -56    59   0.15250 -1.0 2.0
   49    50   -56    59  -0.50650  1.0 3.0
   50    49    52    53   0.00000  1.0 1.0
   50    49    52    54   0.00000  1.0 1.0
   50    49    52    55   0.00000  1.0 1.0
   50    56    59    60   0.15000  1.0 3.0
   50    56    59    61   0.15000  1.0 3.0
   50    56    59    62   0.34400  1.0 1.0
   50    56    59    62   0.09450 -1.0 2.0
   50    56    59    62   0.11100  1.0 3.0
   51    50    56    57   0.33100  1.0 3.0
   51    50    56    58   0.33100  1.0 3.0
   51    50    56    59   0.00000  1.0 1.0
   56    59   -62    45   0.56750  1.0 1.0
   56    59   -62    45  -0.07550 -1.0 2.0
   56    59   -62    45   0.20000  1.0 3.0
   56    59    62    63   0.56750  1.0 1.0
   56    59    62    63  -0.07550 -1.0 2.0
   56    59    62    63   0.20000  1.0 3.0
   56    59    62    66   0.56750  1.0 1.0
   56    59    62    66  -0.07550 -1.0 2.0
   56    59    62    66   0.20000  1.0 3.0
   57    56    59    60   0.15000  1.0 3.0
   57    56    59    61   0.15000  1.0 3.0
   57    56    59    62   0.15000  1.0 3.0
   58    56    59    60   0.15000  1.0 3.0
   58    56    59    61   0.15000  1.0 3.0
   58    56    59    62   0.15000  1.0 3.0
   59    62    63    64   0.15000  1.0 3.0
   59    62    63    65   0.15000  1.0 3.0
   59    62    63    70   0.56750  1.0 1.0
   59    62    63    70  -0.07550 -1.0 2.0
   59    62    63    70   0.20000  1.0 3.0
   59    62    66    67   0.15000  1.0 3.0
   59    62    66    68   0.15000  1.0 3.0
   59    62    66    69   0.15000  1.0 3.0
   60    59    62    45   0.15000  1.0 3.0
   60    59    62    63   0.15000  1.0 3.0
   60    59    62    66   0.15000  1.0 3.0
   61    59    62    45   0.15000  1.0 3.0
   61    59    62    63   0.15000  1.0 3.0
   61    59    62    66   0.15000  1.0 3.0
   62    45   -49    50   0.09850  1.0 1.0
   62    45   -49    50   0.15250 -1.0 2.0
   62    45   -49    50  -0.50650  1.0 3.0
   62    45    49    52   0.46850  1.0 1.0
   62    45    49    52   0.08550 -1.0 2.0
   62    45    49    52   0.09800  1.0 3.0
   62    63    70    71   0.15000  1.0 3.0
   62    63    70    72   0.15000  1.0 3.0
   62    63    70    47   0.56750  1.0 1.0
   62    63    70    47  -0.07550 -1.0 2.0
   62    63    70    47   0.20000  1.0 3.0
   63    62    66    67   0.15000  1.0 3.0
   63    62    66    68   0.15000  1.0 3.0
   63    62    66    69   0.15000  1.0 3.0
   63    70    47    39   0.34400  1.0 1.0
   63    70    47    39   0.09450 -1.0 2.0
   63    70    47    39   0.11100  1.0 3.0
   63    70   -47    43   0.56750  1.0 1.0
   63    70   -47    43  -0.07550 -1.0 2.0
   63    70   -47    43   0.20000  1.0 3.0
   63    70    47    48   0.15000  1.0 3.0
   64    63    70    71   0.15000  1.0 3.0
   64    63    70    72   0.15000  1.0 3.0
   64    63    70    47   0.15000  1.0 3.0
   65    63    70    71   0.15000  1.0 3.0
   65    63    70    72   0.15000  1.0 3.0
   65    63    70    47   0.15000  1.0 3.0
   71    70    47    39   0.15000  1.0 3.0
   71    70    47    43   0.15000  1.0 3.0
   71    70    47    48   0.15000  1.0 3.0
   72    70    47    39   0.15000  1.0 3.0
   72    70    47    43   0.15000  1.0 3.0
   72    70    47    48   0.15000  1.0 3.0
   47    39    40    41   7.00000 -1.0 2.0
   47    39   -40    42   7.00000 -1.0 2.0
   47    43    45    46   0.15000  1.0 3.0
   47    43    45    49   0.34400  1.0 1.0
   47    43    45    49   0.09450 -1.0 2.0
   47    43    45    49   0.11100  1.0 3.0
   47    43   -45    62   0.56750  1.0 1.0
   47    43   -45    62  -0.07550 -1.0 2.0
   47    43   -45    62   0.20000  1.0 3.0
   66    62    63    64   0.15000  1.0 3.0
   66    62    63    65   0.15000  1.0 3.0
   66    62    63    70   0.56750  1.0 1.0
   66    62    63    70  -0.07550 -1.0 2.0
   66    62    63    70   0.20000  1.0 3.0
   52    49    50    51   7.00000 -1.0 2.0
   52    49    50    56   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
   38    30    36    37  10.50000 -1.0 2.0
   33    47    39    40   1.10000 -1.0 2.0
   41    42    40    39   1.10000 -1.0 2.0
   45    52    49    50   1.10000 -1.0 2.0
   56    51    50    49   1.10000 -1.0 2.0
END
