* LIGAND DATABASE FILE (OPLS2005)
*
001      75    74    132    195     390
    1     0 S   NP   _N1_     1    28.45045    93.53653   -21.23718
    2     1 S   H    _HN1     2     1.02749    26.53805  -177.68954
    3     1 S   H    _H1_     3     1.03418    97.60905   -63.29817
    4     1 S   H    _H2_     4     1.02876    87.91239    44.30345
    5     1 S   CT   _CA1     5     1.50076   136.60465   162.69345
    6     5 S   HC   _HA1     6     1.09573   105.19242    65.47035
    7     5 S   CO3  _C1_     7     1.53674   112.79016   -55.02851
    8     7 S   O2Z  _O11     8     1.26379   115.07277   -41.20386
    9     7 S   O2Z  _O12     9     1.26266   114.96051   138.20653
   10     5 S   CT   _CB1    10     1.52969   107.34958  -176.67863
   11    10 S   HC   HB11    11     1.09488   108.79319   -50.34146
   12    10 S   HC   HB12    12     1.09808   110.67327    65.99115
   13    10 S   CT   _CG1    13     1.52943   113.18118  -171.14996
   14    13 S   HC   HG11    14     1.09578   110.46298   -70.30715
   15    13 S   HC   HG12    15     1.09662   110.04223    49.07429
   16    13 S   C    _CD1    16     1.51866   111.95050   168.88481
   17    16 S   O    _OE1    17     1.22727   123.16019    -0.63827
   18    16 S   N    _N2_    18     1.38511   111.87072   180.00000
   19    18 S   H    _HN2    19     1.01601   118.93995    -1.60511
   20    18 S   CT1  _CA2    20     1.46136   123.29865   176.83492
   21    20 S   HC   _HA2    21     1.09568   109.21073   -18.11628
   22    20 S   C    _C2_    22     1.53301   106.99291  -132.77744
   23    22 S   O    _O2_    23     1.22956   122.66813  -135.17655
   24    20 S   CT   _CB2    32     1.53371   112.15897   105.04569
   25    24 S   HC   HB21    33     1.09645   109.70585    54.87291
   26    24 S   HC   HB22    34     1.09564   110.97701   172.39576
   27    22 S   N    _N3_    24     1.38671   112.93239    51.04552
   28    27 S   H    _HN3    25     1.01569   119.14095     0.35718
   29    24 S   S    _SG2    35     1.82937   114.53967   -65.22927
   30    27 S   CT   _CA3    26     1.45389   122.94321   175.77761
   31    30 S   HC   HA31    27     1.09562   108.53795    35.24471
   32    30 S   HC   HA32    28     1.09480   107.16852   152.16560
   33    29 S   CT   _C7_    36     1.83322    99.67614   -71.39107
   34    33 S   HC   _H11    37     1.09281   106.77290    59.37459
   35    33 S   HC   _H12    38     1.09493   107.03744   -55.98113
   36    30 S   CO3  _C3_    29     1.53034   114.18495   -87.57711
   37    36 S   O2Z  _O31    30     1.26310   116.06298   -28.09282
   38    36 S   O2Z  _O32    31     1.26468   114.51028   152.78972
   39    33 S   CT   _C5_    39     1.55938   115.88364  -178.94687
   40    39 S   CT   _C4_    40     1.54419   110.63706   -58.00757
   41    40 S   HC   _H5_    41     1.09437   111.64631   -50.37477
   42    40 S   HC   _H6_    42     1.09590   111.03738  -171.05657
   43    40 S   HC   _H7_    43     1.09540   111.91454    69.72849
   44    39 S   CT   _C6_    44     1.54743   110.07380    61.14990
   45    44 S   HC   _H8_    45     1.09553   111.52187    53.29872
   46    44 S   HC   _H9_    46     1.09624   110.81813   173.34628
   47    44 S   HC   _H10    47     1.09510   112.05615   -67.26218
   48    39 S   CT   _C8_    48     1.56865   110.46057  -179.72589
   49    48 S   HC   _H3_    49     1.09683   109.67905   176.11430
   50    48 S   C    _C9_    50     1.52983   114.20958    54.09636
   51    50 S   O    _O33    51     1.23038   121.79820   -93.32186
   52    48 S   OH   _O37    74     1.42661   111.06985   -66.89117
   53    52 S   HO   _H22    75     0.97275   108.06187    71.98062
   54    50 S   N    _N4_    52     1.38392   113.66320    85.79991
   55    54 S   H    _H13    53     1.01498   119.79974     4.02900
   56    54 S   CT   _C10    54     1.45280   122.15998  -171.14024
   57    56 S   HC   _H14    55     1.09488   107.63546  -156.22283
   58    56 S   HC   _H15    56     1.09556   109.11624   -39.01874
   59    56 S   CT   _C11    57     1.52193   109.94524    82.81264
   60    59 S   HC   _H16    58     1.09726   109.74070    59.49905
   61    59 S   HC   _H17    59     1.09681   109.74805   -58.21120
   62    59 S   C    _C12    60     1.51375   113.61353  -178.63556
   63    62 S   O    _O34    61     1.22657   123.51993     6.03537
   64    62 S   N    _N5_    62     1.38554   111.02630  -174.91620
   65    64 S   H    _H18    63     1.01534   118.72490    -0.11364
   66    64 S   CT1  _C13    64     1.46640   124.01495  -175.89454
   67    66 S   HC   _H4_    65     1.09834   106.72398   -29.47909
   68    66 S   CO3  _C15    66     1.54708   112.76414  -144.26658
   69    68 S   O2Z  _O36    67     1.26604   115.50764    28.63281
   70    68 S   O2Z  _O35    68     1.26312   116.08830  -151.88689
   71    66 S   CT   _C14    69     1.53489   110.25065    86.43707
   72    71 S   HC   _H19    70     1.09488   110.94533  -176.04012
   73    71 S   HC   _H20    71     1.09550   110.03506   -57.46055
   74    71 S   SH   _S1_    72     1.82731   113.20073    62.40727
   75    74 S   HS   _H21    73     1.34173    96.32162    65.34131
  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   7   5   4   3
  15   5   4   2   1   1  15  11   4   3   2   7   3   2   1   8
   5   9   4   2   1   8   4   8   5   4   7   4   3   7   3  10
   4   9   7   6   2   1   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    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    44    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    45    46    47    48    49    50    52  
   35    39    40    44    48  
   39    40    44    48  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    47    48    49    50    51    54    52    53  
   41    42    43    44    45    46    47    48    49    50    52  
   42    43    44    48  
   43    44    48  
   44    48  
   45    46    47    48    49    50    52  
   46    47    48  
   47    48  
   48  
   49    50    51    54    55    56    52    53  
   50    51    54    52    53  
   51    54    55    56    57    58    59    52    53  
   54    55    56    52  
   53    54  
    0  
   55    56    57    58    59    60    61    62  
   56    57    58    59  
   57    58    59    60    61    62    63    64  
   58    59    60    61    62  
   59    60    61    62  
   60    61    62    63    64    65    66  
   61    62    63    64  
   62    63    64  
   63    64    65    66    67    68    71  
   64    65    66  
   65    66    67    68    69    70    71    72    73    74  
   66    67    68    71  
   67    68    69    70    71    72    73    74    75  
   68    69    70    71    72    73    74  
   69    70    71    72    73    74  
   70    71  
   71  
   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   0.047500   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   55   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   56   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   64   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   65   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   66   3.5000   0.0660   0.040000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   71   3.5000   0.0660   0.060000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.6000   0.4250  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   75   0.5000   0.0300   0.155000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   268.000  1.529
   39    40   268.000  1.529
   39    44   268.000  1.529
   39    48   268.000  1.529
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   340.000  1.090
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   48    49   340.000  1.090
   48    50   317.000  1.522
   48    52   320.000  1.410
   50    51   570.000  1.229
   50    54   490.000  1.335
   54    55   434.000  1.010
   54    56   337.000  1.449
   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   317.000  1.522
   62    63   570.000  1.229
   62    64   490.000  1.335
   64    65   434.000  1.010
   64    66   337.000  1.449
   66    67   340.000  1.090
   66    68   317.000  1.522
   66    71   268.000  1.529
   68    69   656.000  1.250
   68    70   656.000  1.250
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   222.000  1.810
   74    75   274.000  1.336
   52    53   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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  111.63000
   33    39    40    58.35000  112.70000
   33    39    44    58.35000  112.70000
   33    39    48    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    40    41    37.50000  110.70000
   39    40    42    37.50000  110.70000
   39    40    43    37.50000  110.70000
   39    44    45    37.50000  110.70000
   39    44    46    37.50000  110.70000
   39    44    47    37.50000  110.70000
   39    48    49    37.50000  110.70000
   39    48    50    63.00000  111.10000
   39    48    52    50.00000  109.50000
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    33.00000  107.80000
   44    39    40    58.35000  112.70000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   48    39    40    58.35000  112.70000
   48    39    44    58.35000  112.70000
   48    50    51    80.00000  120.40000
   48    50    54    70.00000  116.60000
   48    52    53    55.00000  108.50000
   50    48    49    35.00000  109.50000
   50    54    55    35.00000  119.80000
   50    54    56    50.00000  121.90000
   54    50    51    80.00000  122.90000
   54    56    57    35.00000  109.50000
   54    56    58    35.00000  109.50000
   54    56    59    70.00000  110.72300
   56    54    55    38.00000  118.40000
   56    59    60    37.50000  110.70000
   56    59    61    37.50000  110.70000
   56    59    62    63.00000  111.10000
   58    56    57    33.00000  107.80000
   59    56    57    37.50000  110.70000
   59    56    58    37.50000  110.70000
   59    62    63    80.00000  120.40000
   59    62    64    70.00000  116.60000
   61    59    60    33.00000  107.80000
   62    59    60    35.00000  109.50000
   62    59    61    35.00000  109.50000
   62    64    65    35.00000  119.80000
   62    64    66    50.00000  121.90000
   64    62    63    80.00000  122.90000
   64    66    67    35.00000  109.50000
   64    66    68    63.00000  110.10000
   64    66    71    80.00000  109.70000
   66    64    65    38.00000  118.40000
   66    68    69    70.00000  117.00000
   66    68    70    70.00000  117.00000
   66    71    72    37.50000  110.70000
   66    71    73    37.50000  110.70000
   66    71    74    50.00000  108.60000
   68    66    67    35.00000  109.50000
   70    68    69    80.00000  126.00000
   71    66    67    37.50000  110.70000
   71    66    68    63.00000  111.10000
   71    74    75    44.00000   96.00000
   73    71    72    33.00000  107.80000
   74    71    72    35.00000  109.50000
   74    71    73    35.00000  109.50000
   52    48    49    35.00000  109.50000
   52    48    50    95.00000  109.52300
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   0.01700  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    39    40   0.44750  1.0 1.0
   29    33    39    40  -0.17800 -1.0 2.0
   29    33    39    40   0.20200  1.0 3.0
   29    33    39    44   0.44750  1.0 1.0
   29    33    39    44  -0.17800 -1.0 2.0
   29    33    39    44   0.20200  1.0 3.0
   29    33    39    48   0.44750  1.0 1.0
   29    33    39    48  -0.17800 -1.0 2.0
   29    33    39    48   0.20200  1.0 3.0
   33    39    40    41   0.15000  1.0 3.0
   33    39    40    42   0.15000  1.0 3.0
   33    39    40    43   0.15000  1.0 3.0
   33    39    44    45   0.15000  1.0 3.0
   33    39    44    46   0.15000  1.0 3.0
   33    39    44    47   0.15000  1.0 3.0
   33    39    48    49   0.15000  1.0 3.0
   33    39    48    50  -0.95700  1.0 1.0
   33    39    48    50  -0.18200 -1.0 2.0
   33    39    48    50   0.29450  1.0 3.0
   33    39    48    52   0.86500  1.0 1.0
   33    39    48    52  -0.17500 -1.0 2.0
   33    39    48    52   0.20800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    44   0.15000  1.0 3.0
   34    33    39    48   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    44   0.15000  1.0 3.0
   35    33    39    48   0.15000  1.0 3.0
   39    48    50    51   0.30150 -1.0 2.0
   39    48    50    54   1.39750  1.0 1.0
   39    48    50    54  -0.07950 -1.0 2.0
   39    48    50    54  -0.18750  1.0 3.0
   39    48    52    53  -0.11600  1.0 1.0
   39    48    52    53  -0.09450 -1.0 2.0
   39    48    52    53   0.21250  1.0 3.0
   40    39    44    45   0.15000  1.0 3.0
   40    39    44    46   0.15000  1.0 3.0
   40    39    44    47   0.15000  1.0 3.0
   40    39    48    49   0.15000  1.0 3.0
   40    39    48    50  -0.95700  1.0 1.0
   40    39    48    50  -0.18200 -1.0 2.0
   40    39    48    50   0.29450  1.0 3.0
   40    39    48    52   0.86500  1.0 1.0
   40    39    48    52  -0.17500 -1.0 2.0
   40    39    48    52   0.20800  1.0 3.0
   44    39    40    41   0.15000  1.0 3.0
   44    39    40    42   0.15000  1.0 3.0
   44    39    40    43   0.15000  1.0 3.0
   44    39    48    49   0.15000  1.0 3.0
   44    39    48    50  -0.95700  1.0 1.0
   44    39    48    50  -0.18200 -1.0 2.0
   44    39    48    50   0.29450  1.0 3.0
   44    39    48    52   0.86500  1.0 1.0
   44    39    48    52  -0.17500 -1.0 2.0
   44    39    48    52   0.20800  1.0 3.0
   48    39    40    41   0.15000  1.0 3.0
   48    39    40    42   0.15000  1.0 3.0
   48    39    40    43   0.15000  1.0 3.0
   48    39    44    45   0.15000  1.0 3.0
   48    39    44    46   0.15000  1.0 3.0
   48    39    44    47   0.15000  1.0 3.0
   48    50    54    55   2.45000 -1.0 2.0
   48    50    54    56   1.49850  1.0 1.0
   48    50    54    56   1.53950 -1.0 2.0
   49    48    50    51   0.00000  1.0 1.0
   49    48    50    54   0.00000  1.0 1.0
   49    48    52    53   0.19450  1.0 3.0
   50    48    52    53   0.91850  1.0 1.0
   50    48    52    53   0.57950  1.0 3.0
   50    54    56    57   0.00000  1.0 1.0
   50    54    56    58   0.00000  1.0 1.0
   50    54    56    59  -0.43950  1.0 1.0
   50    54    56    59  -0.08100 -1.0 2.0
   50    54    56    59   0.03350  1.0 3.0
   51    50    54    55   2.45000 -1.0 2.0
   51    50    54    56   3.04450 -1.0 2.0
   54    56    59    60   0.15000  1.0 3.0
   54    56    59    61   0.15000  1.0 3.0
   54    56    59    62  -2.10200  1.0 1.0
   54    56    59    62  -0.31600 -1.0 2.0
   54    56    59    62   0.13050  1.0 3.0
   55    54    56    57   0.00000  1.0 1.0
   55    54    56    58   0.00000  1.0 1.0
   55    54    56    59   0.00000  1.0 1.0
   56    59    62    63   0.30150 -1.0 2.0
   56    59    62    64   1.39750  1.0 1.0
   56    59    62    64  -0.07950 -1.0 2.0
   56    59    62    64  -0.18750  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  -0.11250  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  -0.11250  1.0 3.0
   59    62    64    65   2.45000 -1.0 2.0
   59    62    64    66   1.15000  1.0 1.0
   59    62    64    66   3.04450 -1.0 2.0
   60    59    62    63   0.00000  1.0 1.0
   60    59    62    64   0.00000  1.0 1.0
   61    59    62    63   0.00000  1.0 1.0
   61    59    62    64   0.00000  1.0 1.0
   62    64    66    67   0.00000  1.0 1.0
   62    64    66    68  -0.29800  1.0 1.0
   62    64    66    68   0.13950 -1.0 2.0
   62    64    66    68  -2.45650  1.0 3.0
   62    64    66    71   0.25950  1.0 1.0
   62    64    66    71   0.43850 -1.0 2.0
   62    64    66    71   2.61650  1.0 3.0
   63    62    64    65   2.45000 -1.0 2.0
   63    62    64    66   3.04450 -1.0 2.0
   64    66    68    69   0.00000  1.0 1.0
   64    66    68    70   0.00000  1.0 1.0
   64    66    71    72   0.23200  1.0 3.0
   64    66    71    73   0.23200  1.0 3.0
   64    66    71    74   0.71400  1.0 1.0
   64    66    71    74   0.04300 -1.0 2.0
   64    66    71    74   0.01450  1.0 3.0
   65    64    66    67   0.00000  1.0 1.0
   65    64    66    68   0.00000  1.0 1.0
   65    64    66    71   0.00000  1.0 1.0
   66    71    74    75  -0.37950  1.0 1.0
   66    71    74    75  -0.14100 -1.0 2.0
   66    71    74    75   0.30150  1.0 3.0
   67    66    68    69   0.00000  1.0 1.0
   67    66    68    70   0.00000  1.0 1.0
   67    66    71    72   0.15000  1.0 3.0
   67    66    71    73   0.15000  1.0 3.0
   67    66    71    74   0.22600  1.0 3.0
   68    66    71    72  -0.03800  1.0 3.0
   68    66    71    73  -0.03800  1.0 3.0
   68    66    71    74  -2.17200  1.0 1.0
   68    66    71    74  -0.85700 -1.0 2.0
   71    66    68    69   0.00000  1.0 1.0
   71    66    68    70   0.00000  1.0 1.0
   72    71    74    75   0.22550  1.0 3.0
   73    71    74    75   0.22550  1.0 3.0
   52    48    50    51   0.30150 -1.0 2.0
   52    48    50    54   0.00000  1.0 1.0
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
   37    30    36    38  10.50000 -1.0 2.0
   48    54    50    51  10.50000 -1.0 2.0
   55    50    54    56   1.00000 -1.0 2.0
   59    64    62    63  10.50000 -1.0 2.0
   65    62    64    66   1.00000 -1.0 2.0
   69    66    68    70  10.50000 -1.0 2.0
END
