* LIGAND DATABASE FILE (OPLS2005)
*
001      93    93    171    257     509
    1     0 S   NP   _N1_     1    28.59345    94.68566   -22.75031
    2     1 S   H    _HN1     2     1.02778    99.93997   -74.00685
    3     1 S   H    _H1_     3     1.02960    81.81452    33.29054
    4     1 S   H    _H2_     4     1.02836    31.04357   177.69599
    5     1 S   CT   _CA1     5     1.50119   138.48955   144.90558
    6     5 S   HC   _HA1     6     1.09576   105.22798    76.54585
    7     5 S   CO3  _C1_     7     1.53780   112.40796   -43.65114
    8     7 S   O2Z  _O11     8     1.26357   115.00353   -43.52872
    9     7 S   O2Z  _O12     9     1.26240   114.92015   135.65943
   10     5 S   CT   _CB1    10     1.53095   107.42421  -165.55484
   11    10 S   HC   HB11    11     1.09825   109.30545   -50.94499
   12    10 S   HC   HB12    12     1.09818   110.42127    65.59425
   13    10 S   CT   _CG1    13     1.53009   112.69032  -172.06036
   14    13 S   HC   HG11    14     1.09596   110.44286   -64.24452
   15    13 S   HC   HG12    15     1.09654   109.97767    54.97776
   16    13 S   C    _CD1    16     1.51817   112.33025   175.30952
   17    16 S   O    _OE1    17     1.22719   123.27297    -1.77321
   18    16 S   N    _N2_    18     1.38635   111.64199   178.46698
   19    18 S   H    _HN2    19     1.01582   119.01617     1.16500
   20    18 S   CT1  _CA2    20     1.46102   123.33241   179.59603
   21    20 S   HC   _HA2    21     1.09738   109.47150    -6.79875
   22    20 S   C    _C2_    22     1.53453   108.39489  -122.51774
   23    22 S   O    _O2_    23     1.23040   122.21873  -144.29116
   24    20 S   CT   _CB2    32     1.53272   111.70336   115.33800
   25    24 S   HC   HB21    33     1.09491   110.01081    56.04718
   26    24 S   HC   HB22    34     1.09503   109.59858   174.93957
   27    22 S   N    _N3_    24     1.38483   113.42051    42.94082
   28    27 S   H    _HN3    25     1.01512   118.98848    -0.39860
   29    24 S   S    _SG2    35     1.82618   112.14866   -65.17120
   30    27 S   CT   _CA3    26     1.45441   123.34986   175.05403
   31    30 S   HC   HA31    27     1.09529   109.16373    26.11407
   32    30 S   HC   HA32    28     1.09493   107.15134   143.11920
   33    29 S   CT   _C17    36     1.85358    99.59596  -170.25539
   34    33 S   HC   _H3_    37     1.09316   105.36873    37.21805
   35    30 S   CO3  _C3_    29     1.52928   113.12153   -97.29540
   36    35 S   O2Z  _O31    30     1.26400   115.40792   -44.34618
   37    35 S   O2Z  _O32    31     1.26355   114.97612   136.56860
   38    33 S   CT   _C10    38     1.54345   108.42178   153.21686
   39    38 S   HC   _H31    39     1.09601   110.96460   175.92835
   40    38 S   HC   _H32    40     1.09660   111.61089    57.13014
   41    33 S   CT   _C15    67     1.55605   110.66474   -80.76076
   42    41 S   HC   _H38    68     1.09749   108.92781    42.94598
   43    38 S   CO4  _C9_    41     1.51620   112.46632   -64.13190
   44    43 S   O    _O23    42     1.22251   124.55881   117.91269
   45    41 S   CT   _C22    69     1.54280   112.27811   -73.24827
   46    45 S   HC   _H51    70     1.09494   111.44762   -71.24158
   47    45 S   HC   _H52    71     1.09532   110.93414   168.99355
   48    45 S   HC   _H53    72     1.09403   111.82750    50.05375
   49    43 S   OS   _O24    43     1.35680   109.20315   -60.96491
   50    49 S   CT   _C18    44     1.45257   119.80984   167.43820
   51    50 S   HC   _H41    45     1.09761   109.25922    41.10521
   52    50 S   CT   _C12    46     1.55381   107.04379   159.47659
   53    52 S   HC   _H35    47     1.09545   109.91584   169.42631
   54    50 S   CT   _C24    87     1.54119   107.71302   -77.79351
   55    54 S   HC   _H57    88     1.09661   110.50219   -57.04793
   56    54 S   HC   _H58    89     1.09693   108.93074    57.78191
   57    52 S   CM   _C7_    48     1.50958   110.39611    47.47557
   58    57 S   HC   _H30    49     1.09063   115.14352   -67.24796
   59    52 S   CT   _C19    83     1.53347   110.43717   -72.82246
   60    59 S   HC   _H42    84     1.09589   111.97311    60.07806
   61    59 S   HC   _H43    85     1.09538   110.54336   -60.17330
   62    59 S   HC   _H44    86     1.09592   110.89785  -179.44398
   63    54 S   CT   _C23    90     1.51963   113.98208   178.67840
   64    63 S   HC   _H54    91     1.09441   111.05947   -52.93463
   65    63 S   HC   _H55    92     1.09491   109.96559  -172.40878
   66    63 S   HC   _H56    93     1.09345   111.69356    68.48821
   67    57 S   CM   _C6_    50     1.34102   126.56792   110.19183
   68    67 S   HC   _H29    51     1.08471   121.56481     4.63447
   69    67 S   CM   _C4_    52     1.44643   120.78852  -175.37145
   70    69 S   HC   _H27    53     1.08591   116.12613  -121.46132
   71    69 S   CM   _C5_    54     1.34200   121.92547    56.28042
   72    71 S   HC   _H28    55     1.08304   120.91098     4.01688
   73    71 S   CO4  _C8_    56     1.48437   120.80587  -171.41725
   74    73 S   O    _O22    57     1.23258   120.51102   -13.60220
   75    73 S   CT   _C13    58     1.53206   119.42011   167.70066
   76    75 S   HC   _H36    59     1.09813   105.77173  -143.56825
   77    75 S   CT   _C11    60     1.54486   118.73762   -23.13643
   78    77 S   HC   _H33    61     1.09483   108.65818    68.98445
   79    77 S   HC   _H34    62     1.09770   106.71818  -177.76069
   80    75 S   CT   _C20    79     1.53260   107.44761   101.74265
   81    80 S   HC   _H45    80     1.09583   111.11469   -66.12221
   82    80 S   HC   _H46    81     1.09501   110.99965   173.40281
   83    80 S   HC   _H47    82     1.09559   111.11782    53.48827
   84    77 S   CT   _C14    63     1.55117   118.50196   -55.24760
   85    84 S   HC   _H37    64     1.09487   108.40369    75.68511
   86    84 S   CT   _C16    65     1.56281   112.73002  -166.12046
   87    86 S   HC   _H39    66     1.09667   107.69548  -172.40446
   88    84 S   CT   _C21    75     1.53542   112.01419   -41.68604
   89    88 S   HC   _H48    76     1.09499   111.62294   -54.12877
   90    88 S   HC   _H49    77     1.09545   110.76071  -174.65837
   91    88 S   HC   _H50    78     1.09426   111.23848    66.59757
   92    86 S   OH   _O25    73     1.43405   108.64820    73.80301
   93    92 S   HO   _H59    74     0.97169   108.23125   -72.72508
  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  10   5   4   3
  17   8   2   1   1  10   5   4  14   8   6   2   7   3   2   1
  10  17   8  14   8   8   5   4  10   4   4   2   1   1   3   2
   1   1   6   3   6   3   7   3  11   4  12   8  15   6   5   4
   2   1   1   9   7   7   3   4   2   1   1   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    86    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    49    84    86    87    41    42    45    46    47    48    92  
   38    39    40    43    86    41    42    45  
   36    37  
   37  
    0  
   39    40    43    44    49    50    86    41    42    45  
   40    43    44    49    41  
   43    44    49    41  
   42    45    46    47    48    92    93    88    43    77    84    85    86    87  
   45    46    47    48    92    84    86    87  
   44    49    50    51    52    54  
   49    50  
   46    47    48    92    84    86    87  
   47    48    86  
   48    86  
   86  
   50    51    52    53    57    59    54    55    56    63  
   51    52    53    57    58    67    59    60    61    62    54    55    56    63    64    65    66  
   52    53    57    59    54    55    56    63  
   53    57    58    67    68    69    59    60    61    62    54    55    56    63  
   57    58    67    59    60    61    62    54  
   55    56    63    64    65    66    57    59  
   56    63    64    65    66  
   63    64    65    66  
   58    67    68    69    70    71    59    60    61    62  
   67    68    69    59  
   60    61    62    67  
   61    62  
   62  
    0  
   64    65    66  
   65    66  
   66  
    0  
   68    69    70    71    72    73  
   69    70    71  
   70    71    72    73    74    75  
   71    72    73  
   72    73    74    75    76    77    80  
   73    74    75  
   74    75    76    77    78    79    84    80    81    82    83  
   75    76    77    80  
   76    77    78    79    84    85    86    88    80    81    82    83  
   77    78    79    84    80    81    82    83  
   78    79    84    85    86    87    92    88    89    90    91    80    81    82    83  
   79    84    85    86    88    80  
   84    85    86    88    80  
   81    82    83    84  
   82    83  
   83  
    0  
   85    86    87    92    93    88    89    90    91  
   86    87    92    88    89    90    91  
   87    92    93    88    89    90    91  
   92    93    88  
   89    90    91    92  
   90    91  
   91  
    0  
   93  
    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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   70   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   93   0.5000   0.0300   0.418000   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   317.000  1.522
   43    44   570.000  1.229
   43    49   214.000  1.327
   49    50   320.000  1.410
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    54   268.000  1.529
   52    53   340.000  1.090
   52    57   317.000  1.510
   52    59   268.000  1.529
   57    58   340.000  1.080
   57    67   549.000  1.340
   67    68   340.000  1.080
   67    69   380.000  1.444
   69    70   340.000  1.080
   69    71   549.000  1.340
   71    72   340.000  1.080
   71    73   320.000  1.462
   73    74   570.000  1.229
   73    75   317.000  1.522
   75    76   340.000  1.090
   75    77   268.000  1.529
   75    80   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    84   268.000  1.529
   84    85   340.000  1.090
   84    86   268.000  1.529
   84    88   268.000  1.529
   86    87   340.000  1.090
   86    41   268.000  1.529
   86    92   320.000  1.410
   41    42   340.000  1.090
   41    45   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   92    93   553.000  0.945
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   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  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    63.00000  111.10000
   33    41    86    58.35000  112.70000
   33    41    42    37.50000  110.70000
   33    41    45    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    43    44    80.00000  120.40000
   38    43    49    81.00000  111.40000
   40    38    39    33.00000  107.80000
   43    38    39    35.00000  109.50000
   43    38    40    35.00000  109.50000
   43    49    50    83.00000  116.90000
   49    43    44    83.00000  123.40000
   49    50    51    35.00000  109.50000
   49    50    52    50.00000  109.50000
   49    50    54    50.00000  109.50000
   50    52    53    37.50000  110.70000
   50    52    57    70.00000  112.02700
   50    52    59    58.35000  112.70000
   50    54    55    37.50000  110.70000
   50    54    56    37.50000  110.70000
   50    54    63    58.35000  112.70000
   52    50    51    37.50000  110.70000
   52    57    58    35.00000  117.00000
   52    57    67    70.00000  124.00000
   52    59    60    37.50000  110.70000
   52    59    61    37.50000  110.70000
   52    59    62    37.50000  110.70000
   57    52    53    35.00000  109.50000
   57    67    68    35.00000  120.00000
   57    67    69    70.00000  123.01800
   67    57    58    35.00000  120.00000
   67    69    70    35.00000  120.00000
   67    69    71    70.00000  123.01800
   69    67    68    35.00000  120.00000
   69    71    72    35.00000  120.00000
   69    71    73    65.00000  118.96000
   71    69    70    35.00000  120.00000
   71    73    74    80.00000  123.72100
   71    73    75    65.00000  118.62400
   73    71    72    40.00000  117.72500
   73    75    76    35.00000  109.50000
   73    75    77    63.00000  111.10000
   73    75    80    63.00000  111.10000
   75    73    74    80.00000  120.40000
   75    77    78    37.50000  110.70000
   75    77    79    37.50000  110.70000
   75    77    84    58.35000  112.70000
   75    80    81    37.50000  110.70000
   75    80    82    37.50000  110.70000
   75    80    83    37.50000  110.70000
   77    75    76    37.50000  110.70000
   77    84    85    37.50000  110.70000
   77    84    86    58.35000  112.70000
   77    84    88    58.35000  112.70000
   79    77    78    33.00000  107.80000
   84    77    78    37.50000  110.70000
   84    77    79    37.50000  110.70000
   84    86    87    37.50000  110.70000
   84    86    41    58.35000  112.70000
   84    86    92    50.00000  109.50000
   84    88    89    37.50000  110.70000
   84    88    90    37.50000  110.70000
   84    88    91    37.50000  110.70000
   86    84    85    37.50000  110.70000
   86    41    42    37.50000  110.70000
   86    41    45    58.35000  112.70000
   86    92    93    55.00000  108.50000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    86    87    37.50000  110.70000
   41    45    46    37.50000  110.70000
   41    45    47    37.50000  110.70000
   41    45    48    37.50000  110.70000
   45    41    42    37.50000  110.70000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   92    86    87    35.00000  109.50000
   92    86    41    50.00000  109.50000
   88    84    85    37.50000  110.70000
   88    84    86    58.35000  112.70000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   80    75    76    37.50000  110.70000
   80    75    77    58.35000  112.70000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   59    52    53    37.50000  110.70000
   59    52    57    70.00000  112.02700
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   54    50    51    37.50000  110.70000
   54    50    52    58.35000  112.70000
   54    63    64    37.50000  110.70000
   54    63    65    37.50000  110.70000
   54    63    66    37.50000  110.70000
   56    54    55    33.00000  107.80000
   63    54    55    37.50000  110.70000
   63    54    56    37.50000  110.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    41    86   0.44750  1.0 1.0
   29    33    41    86  -0.17800 -1.0 2.0
   29    33    41    86   0.20200  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    45   0.44750  1.0 1.0
   29    33    41    45  -0.17800 -1.0 2.0
   29    33    41    45   0.20200  1.0 3.0
   33    38    43    44   0.30150 -1.0 2.0
   33    38    43    49   0.36750  1.0 3.0
   33    41    45    46   0.15000  1.0 3.0
   33    41    45    47   0.15000  1.0 3.0
   33    41    45    48   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    43  -0.11250  1.0 3.0
   34    33    41    86   0.15000  1.0 3.0
   34    33    41    42   0.15000  1.0 3.0
   34    33    41    45   0.15000  1.0 3.0
   38    33    41    86   0.56750  1.0 1.0
   38    33    41    86  -0.07550 -1.0 2.0
   38    33    41    86   0.20000  1.0 3.0
   38    33    41    42   0.15000  1.0 3.0
   38    33    41    45   0.56750  1.0 1.0
   38    33    41    45  -0.07550 -1.0 2.0
   38    33    41    45   0.20000  1.0 3.0
   38    43    49    50   1.63150  1.0 1.0
   38    43    49    50   2.92000 -1.0 2.0
   39    38    43    44   0.00000  1.0 1.0
   39    38    43    49   0.00000  1.0 1.0
   40    38    43    44   0.00000  1.0 1.0
   40    38    43    49   0.00000  1.0 1.0
   43    49    50    51   0.08050  1.0 3.0
   43    49    50    52  -0.25900  1.0 1.0
   43    49    50    52  -0.47000 -1.0 2.0
   43    49    50    52   0.11750  1.0 3.0
   43    49    50    54  -0.25900  1.0 1.0
   43    49    50    54  -0.47000 -1.0 2.0
   43    49    50    54   0.11750  1.0 3.0
   44    43    49    50   3.00000 -1.0 2.0
   49    50    52    53   0.23400  1.0 3.0
   49    50    52    57   0.61850  1.0 1.0
   49    50    52    57  -0.22750 -1.0 2.0
   49    50    52    57   0.15300  1.0 3.0
   49    50    52    59   0.62750  1.0 1.0
   49    50    52    59  -0.30950 -1.0 2.0
   49    50    52    59   0.27300  1.0 3.0
   49    50    54    55   0.23400  1.0 3.0
   49    50    54    56   0.23400  1.0 3.0
   49    50    54    63   0.62750  1.0 1.0
   49    50    54    63  -0.30950 -1.0 2.0
   49    50    54    63   0.27300  1.0 3.0
   50    52    57    58   0.00000  1.0 1.0
   50    52    57    67   0.09850  1.0 1.0
   50    52    57    67   0.15250 -1.0 2.0
   50    52    57    67  -0.50650  1.0 3.0
   50    52    59    60   0.15000  1.0 3.0
   50    52    59    61   0.15000  1.0 3.0
   50    52    59    62   0.15000  1.0 3.0
   50    54    63    64   0.15000  1.0 3.0
   50    54    63    65   0.15000  1.0 3.0
   50    54    63    66   0.15000  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    57   0.15000  1.0 3.0
   51    50    52    59   0.15000  1.0 3.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    56   0.15000  1.0 3.0
   51    50    54    63   0.15000  1.0 3.0
   52    50    54    55   0.15000  1.0 3.0
   52    50    54    56   0.15000  1.0 3.0
   52    50    54    63   0.56750  1.0 1.0
   52    50    54    63  -0.07550 -1.0 2.0
   52    50    54    63   0.20000  1.0 3.0
   52    57    67    68   7.00000 -1.0 2.0
   52    57    67    69   7.00000 -1.0 2.0
   53    52    57    58   0.33100  1.0 3.0
   53    52    57    67   0.00000  1.0 1.0
   53    52    59    60   0.15000  1.0 3.0
   53    52    59    61   0.15000  1.0 3.0
   53    52    59    62   0.15000  1.0 3.0
   57    52    59    60   0.15000  1.0 3.0
   57    52    59    61   0.15000  1.0 3.0
   57    52    59    62   0.15000  1.0 3.0
   57    67    69    70  -0.18600  1.0 3.0
   57    67    69    71   0.28850  1.0 1.0
   57    67    69    71   2.61350 -1.0 2.0
   57    67    69    71   0.78400  1.0 3.0
   58    57    67    68   7.00000 -1.0 2.0
   58    57    67    69   7.00000 -1.0 2.0
   67    69    71    72   7.00000 -1.0 2.0
   67    69    71    73   7.00000 -1.0 2.0
   68    67    69    70   0.00000  1.0 1.0
   68    67    69    71  -0.18600  1.0 3.0
   69    71    73    74   1.00000 -1.0 2.0
   69    71    73    75  -0.33500  1.0 1.0
   69    71    73    75   1.06600 -1.0 2.0
   69    71    73    75  -0.14000  1.0 3.0
   70    69    71    72   7.00000 -1.0 2.0
   70    69    71    73   7.00000 -1.0 2.0
   71    73    75    76   0.00000  1.0 1.0
   71    73    75    77   0.65300  1.0 1.0
   71    73    75    77  -0.03850 -1.0 2.0
   71    73    75    77   0.33900  1.0 3.0
   71    73    75    80   0.65300  1.0 1.0
   71    73    75    80  -0.03850 -1.0 2.0
   71    73    75    80   0.33900  1.0 3.0
   72    71    73    74   0.00000  1.0 1.0
   72    71    73    75   0.04550  1.0 1.0
   72    71    73    75   0.83000 -1.0 2.0
   72    71    73    75  -0.04000  1.0 3.0
   73    75    77    78  -0.11250  1.0 3.0
   73    75    77    79  -0.11250  1.0 3.0
   73    75    77    84  -0.95700  1.0 1.0
   73    75    77    84  -0.18200 -1.0 2.0
   73    75    77    84   0.29450  1.0 3.0
   73    75    80    81  -0.11250  1.0 3.0
   73    75    80    82  -0.11250  1.0 3.0
   73    75    80    83  -0.11250  1.0 3.0
   74    73    75    76   0.00000  1.0 1.0
   74    73    75    77   0.30150 -1.0 2.0
   74    73    75    80   0.30150 -1.0 2.0
   75    77    84    85   0.15000  1.0 3.0
   75    77    84    86   0.56750  1.0 1.0
   75    77    84    86  -0.07550 -1.0 2.0
   75    77    84    86   0.20000  1.0 3.0
   75    77    84    88   0.56750  1.0 1.0
   75    77    84    88  -0.07550 -1.0 2.0
   75    77    84    88   0.20000  1.0 3.0
   76    75    77    78   0.15000  1.0 3.0
   76    75    77    79   0.15000  1.0 3.0
   76    75    77    84   0.15000  1.0 3.0
   76    75    80    81   0.15000  1.0 3.0
   76    75    80    82   0.15000  1.0 3.0
   76    75    80    83   0.15000  1.0 3.0
   77    75    80    81   0.15000  1.0 3.0
   77    75    80    82   0.15000  1.0 3.0
   77    75    80    83   0.15000  1.0 3.0
   77    84    86    87   0.15000  1.0 3.0
   77    84    86    41   0.56750  1.0 1.0
   77    84    86    41  -0.07550 -1.0 2.0
   77    84    86    41   0.20000  1.0 3.0
   77    84    86    92   0.86500  1.0 1.0
   77    84    86    92  -0.17500 -1.0 2.0
   77    84    86    92   0.20800  1.0 3.0
   77    84    88    89   0.15000  1.0 3.0
   77    84    88    90   0.15000  1.0 3.0
   77    84    88    91   0.15000  1.0 3.0
   78    77    84    85   0.15000  1.0 3.0
   78    77    84    86   0.15000  1.0 3.0
   78    77    84    88   0.15000  1.0 3.0
   79    77    84    85   0.15000  1.0 3.0
   79    77    84    86   0.15000  1.0 3.0
   79    77    84    88   0.15000  1.0 3.0
   84    86    41    33   0.56750  1.0 1.0
   84    86    41    33  -0.07550 -1.0 2.0
   84    86    41    33   0.20000  1.0 3.0
   84    86    41    42   0.15000  1.0 3.0
   84    86    41    45   0.56750  1.0 1.0
   84    86    41    45  -0.07550 -1.0 2.0
   84    86    41    45   0.20000  1.0 3.0
   84    86    92    93  -0.11600  1.0 1.0
   84    86    92    93  -0.09450 -1.0 2.0
   84    86    92    93   0.21250  1.0 3.0
   85    84    86    87   0.15000  1.0 3.0
   85    84    86    41   0.15000  1.0 3.0
   85    84    86    92   0.23400  1.0 3.0
   85    84    88    89   0.15000  1.0 3.0
   85    84    88    90   0.15000  1.0 3.0
   85    84    88    91   0.15000  1.0 3.0
   86    84    88    89   0.15000  1.0 3.0
   86    84    88    90   0.15000  1.0 3.0
   86    84    88    91   0.15000  1.0 3.0
   86    41    45    46   0.15000  1.0 3.0
   86    41    45    47   0.15000  1.0 3.0
   86    41    45    48   0.15000  1.0 3.0
   87    86    41    33   0.15000  1.0 3.0
   87    86    41    42   0.15000  1.0 3.0
   87    86    41    45   0.15000  1.0 3.0
   87    86    92    93   0.19450  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    43  -0.95700  1.0 1.0
   41    33    38    43  -0.18200 -1.0 2.0
   41    33    38    43   0.29450  1.0 3.0
   41    86    92    93  -0.11600  1.0 1.0
   41    86    92    93  -0.09450 -1.0 2.0
   41    86    92    93   0.21250  1.0 3.0
   42    41    45    46   0.15000  1.0 3.0
   42    41    45    47   0.15000  1.0 3.0
   42    41    45    48   0.15000  1.0 3.0
   92    86    41    33   0.86500  1.0 1.0
   92    86    41    33  -0.17500 -1.0 2.0
   92    86    41    33   0.20800  1.0 3.0
   92    86    41    42   0.23400  1.0 3.0
   92    86    41    45   0.86500  1.0 1.0
   92    86    41    45  -0.17500 -1.0 2.0
   92    86    41    45   0.20800  1.0 3.0
   88    84    86    87   0.15000  1.0 3.0
   88    84    86    41   0.56750  1.0 1.0
   88    84    86    41  -0.07550 -1.0 2.0
   88    84    86    41   0.20000  1.0 3.0
   88    84    86    92   0.86500  1.0 1.0
   88    84    86    92  -0.17500 -1.0 2.0
   88    84    86    92   0.20800  1.0 3.0
   80    75    77    78   0.15000  1.0 3.0
   80    75    77    79   0.15000  1.0 3.0
   80    75    77    84   0.56750  1.0 1.0
   80    75    77    84  -0.07550 -1.0 2.0
   80    75    77    84   0.20000  1.0 3.0
   59    52    57    58   0.00000  1.0 1.0
   59    52    57    67   0.09850  1.0 1.0
   59    52    57    67   0.15250 -1.0 2.0
   59    52    57    67  -0.50650  1.0 3.0
   54    50    52    53   0.15000  1.0 3.0
   54    50    52    57   0.34400  1.0 1.0
   54    50    52    57   0.09450 -1.0 2.0
   54    50    52    57   0.11100  1.0 3.0
   54    50    52    59   0.56750  1.0 1.0
   54    50    52    59  -0.07550 -1.0 2.0
   54    50    52    59   0.20000  1.0 3.0
   55    54    63    64   0.15000  1.0 3.0
   55    54    63    65   0.15000  1.0 3.0
   55    54    63    66   0.15000  1.0 3.0
   56    54    63    64   0.15000  1.0 3.0
   56    54    63    65   0.15000  1.0 3.0
   56    54    63    66   0.15000  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   38    49    43    44  10.50000 -1.0 2.0
   52    58    57    67   1.10000 -1.0 2.0
   69    68    67    57   1.10000 -1.0 2.0
   67    70    69    71   1.10000 -1.0 2.0
   73    72    71    69   1.10000 -1.0 2.0
   71    75    73    74  10.50000 -1.0 2.0
END
