* LIGAND DATABASE FILE (OPLS2005)
*
001      92    92    168    252     499
    1     0 S   NP   _N1_     1    28.22526    97.09414   -24.86789
    2     1 S   H    _HN1     2     1.02777   114.42588  -104.13003
    3     1 S   H    _H1_     3     1.02957    72.99673    -1.28451
    4     1 S   H    _H2_     4     1.02836    34.47566   169.62517
    5     1 S   CT   _CA1     5     1.50136   128.95063   101.50768
    6     5 S   HC   _HA1     6     1.09576   105.20478    93.38576
    7     5 S   CO3  _C1_     7     1.53773   112.31412   -26.78268
    8     7 S   O2Z  _O11     8     1.26366   114.99685   -44.87355
    9     7 S   O2Z  _O12     9     1.26230   114.92118   134.13188
   10     5 S   CT   _CB1    10     1.53087   107.41112  -148.74123
   11    10 S   HC   HB11    11     1.09829   109.30046   -50.52336
   12    10 S   HC   HB12    12     1.09815   110.44754    66.01585
   13    10 S   CT   _CG1    13     1.53034   112.69476  -171.58310
   14    13 S   HC   HG11    14     1.09592   110.51871   -64.95516
   15    13 S   HC   HG12    15     1.09658   109.89845    54.26068
   16    13 S   C    _CD1    16     1.51854   112.24368   174.60580
   17    16 S   O    _OE1    17     1.22767   123.25539     1.85192
   18    16 S   N    _N2_    18     1.38571   111.78642  -178.15390
   19    18 S   H    _HN2    19     1.01565   119.06798     4.08562
   20    18 S   CT1  _CA2    20     1.45779   122.79270   177.51935
   21    20 S   HC   _HA2    21     1.09748   108.88116    24.61341
   22    20 S   C    _C2_    22     1.53054   107.39232   -92.14701
   23    22 S   O    _O2_    23     1.22955   123.20141   -22.07164
   24    20 S   CT   _CB2    32     1.53167   112.32685   147.66459
   25    24 S   HC   HB21    33     1.09599   110.53216    54.05003
   26    24 S   HC   HB22    34     1.09437   109.77947   172.82110
   27    22 S   N    _N3_    24     1.38547   112.41913   160.44818
   28    27 S   H    _HN3    25     1.01655   120.26410    -2.55152
   29    24 S   S    _SG2    35     1.82679   111.40787   -66.68015
   30    27 S   CT   _CA3    26     1.45344   122.67795   178.10876
   31    30 S   HC   HA31    27     1.09564   108.06891   -50.24670
   32    30 S   HC   HA32    28     1.09552   107.42598    66.17526
   33    29 S   CT   _C12    36     1.83958    99.18094  -173.41843
   34    33 S   HC   _H3_    37     1.09559   107.23137   -44.42570
   35    30 S   CO3  _C3_    29     1.52926   114.20276  -172.26493
   36    35 S   O2Z  _O31    30     1.26347   116.04877     0.67695
   37    35 S   O2Z  _O32    31     1.26431   114.42012  -179.38420
   38    33 S   CM   _C6_    38     1.50495   108.89191    75.10885
   39    38 S   HC   _H29    39     1.08877   117.30568    55.03702
   40    33 S   CM   _C8_    66     1.51200   108.16386  -163.82457
   41    40 S   HC   _H31    67     1.08871   115.80527   -68.70498
   42    38 S   CM   _C7_    40     1.34304   123.85729  -124.69730
   43    42 S   HC   _H30    41     1.08780   119.44739    -1.21402
   44    42 S   CT   _C14    42     1.51399   123.28706   179.05374
   45    44 S   HC   _H36    43     1.09644   108.71306    -9.92218
   46    44 S   CT   _C18    44     1.55206   110.34668   109.94879
   47    46 S   HC   _H40    45     1.09846   107.90104    61.44470
   48    44 S   CT   _C20    89     1.53174   108.86227  -125.89999
   49    48 S   HC   _H44    90     1.09573   111.46071   -68.71218
   50    48 S   HC   _H45    91     1.09440   111.19400   170.56089
   51    48 S   HC   _H46    92     1.09640   111.03164    51.53116
   52    46 S   OS   _O24    46     1.45563   111.41609   -52.65292
   53    46 S   CT   _C24    82     1.53915   114.26370  -179.43110
   54    53 S   HC   _H56    83     1.09524   109.92625   -60.76598
   55    53 S   HC   _H57    84     1.09527   110.54238    57.07068
   56    52 S   CO4  _C10    47     1.35551   121.14926   -60.91796
   57    56 S   O    _O23    48     1.22243   127.24797    -3.54044
   58    53 S   CT   _C23    85     1.52390   112.64090   178.55951
   59    58 S   HC   _H53    86     1.09413   111.58689   -63.95087
   60    58 S   HC   _H54    87     1.09472   110.05558   176.53841
   61    58 S   HC   _H55    88     1.09459   110.93417    57.04298
   62    56 S   CM   _C4_    49     1.47811   111.09224   174.09864
   63    62 S   HC   _H27    50     1.08555   115.45078  -162.96098
   64    62 S   CM   _C5_    51     1.34084   123.82055    19.33706
   65    64 S   HC   _H28    52     1.08749   120.56256     0.27906
   66    64 S   CT   _C13    53     1.50923   122.91704   178.77363
   67    66 S   HC   _H35    54     1.09784   110.09794    14.03001
   68    66 S   CT   _C17    55     1.54920   112.43433   135.36035
   69    68 S   HC   _H39    56     1.09834   107.99930    65.62929
   70    66 S   CT   _C19    78     1.53644   108.64153  -101.96258
   71    70 S   HC   _H41    79     1.09600   111.43374   -64.26566
   72    70 S   HC   _H42    80     1.09502   111.19430   175.24779
   73    70 S   HC   _H43    81     1.09611   111.00967    55.93486
   74    68 S   CT   _C16    57     1.55844   116.53380   -55.35695
   75    74 S   HC   _H38    58     1.09680   107.85744    61.80943
   76    68 S   OH   _O25    76     1.43256   108.97140  -180.00000
   77    76 S   HO   _H58    77     0.97174   108.06295    56.26152
   78    74 S   CT   _C11    59     1.54927   112.84867   -58.00309
   79    78 S   HC   _H32    60     1.09632   109.16976    59.12004
   80    78 S   HC   _H33    61     1.09759   108.72249   -55.99127
   81    74 S   CT   _C22    72     1.53823   108.56960   177.91634
   82    81 S   HC   _H50    73     1.09515   111.50329    71.39136
   83    81 S   HC   _H51    74     1.09557   110.81353   -48.98931
   84    81 S   HC   _H52    75     1.09264   111.76071  -167.76355
   85    78 S   CT   _C15    62     1.55375   116.28104  -177.55816
   86    85 S   HC   _H37    63     1.10102   106.93065    61.54475
   87    85 S   CMA  _C9_    64     1.54788   114.53277   -60.53671
   88    87 S   OM   _O22    65     1.26324   111.34264   114.69634
   89    85 S   CT   _C21    68     1.54240   109.40228   173.75276
   90    89 S   HC   _H47    69     1.09500   112.16413    57.89764
   91    89 S   HC   _H48    70     1.09583   110.31358   -61.73103
   92    89 S   HC   _H49    71     1.09564   111.04618   179.15651
  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   8   5   4   3
  11   6   2   1   1  10   4   8   3  11   4  13   8  16   7   5
   2   1   1   9   7   5   4   6   3   3   2   1   1   7   3  11
   4  13   8  17   7   5   2   1   1  14   9   3   1  14   6   5
   4   2   1   1   7   6   5   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    87    40    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    44    85    87    88    40    41  
   38    39    42    87    40    41  
   36    37  
   37  
    0  
   39    42    43    44    45    46    87    40    41    48  
   42    43    44    40  
   41    89    42    78    85    86    87    88  
   85    87    88  
   43    44    45    46    47    52    53    48    49    50    51  
   44    45    46    48  
   45    46    47    52    56    53    54    55    58    48    49    50    51  
   46    47    52    53    48    49    50    51  
   47    52    56    57    62    53    54    55    58    59    60    61    48    49    50    51  
   52    56    53    54    55    58    48  
   49    50    51    52    53  
   50    51  
   51  
    0  
   56    57    62    63    64    53    54    55    58  
   54    55    58    59    60    61    56  
   55    58    59    60    61  
   58    59    60    61  
   57    62    63    64    65    66  
   62    63    64  
   59    60    61  
   60    61  
   61  
    0  
   63    64    65    66    67    68    70  
   64    65    66  
   65    66    67    68    69    74    76    70    71    72    73  
   66    67    68    70  
   67    68    69    74    75    78    81    76    77    70    71    72    73  
   68    69    74    76    70    71    72    73  
   69    74    75    78    79    80    85    81    82    83    84    76    77    70    71    72    73  
   74    75    78    81    76    77    70  
   71    72    73    74    76  
   72    73  
   73  
    0  
   75    78    79    80    85    86    87    89    81    82    83    84    76    77  
   78    79    80    85    81    82    83    84    76  
   77    78    81  
    0  
   79    80    85    86    87    88    89    90    91    92    81    82    83    84  
   80    85    86    87    89    81  
   85    86    87    89    81  
   82    83    84    85  
   83    84  
   84  
    0  
   86    87    88    89    90    91    92  
   87    88    89    90    91    92  
   88    89    90    91    92  
   89  
   90    91    92  
   91    92  
   92  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.180000   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
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   88   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   89   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    40   317.000  1.510
   38    39   340.000  1.080
   38    42   549.000  1.340
   42    43   340.000  1.080
   42    44   317.000  1.510
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    48   268.000  1.529
   46    47   340.000  1.090
   46    52   320.000  1.410
   46    53   268.000  1.529
   52    56   214.000  1.327
   56    57   570.000  1.229
   56    62   320.000  1.462
   62    63   340.000  1.080
   62    64   549.000  1.340
   64    65   340.000  1.080
   64    66   317.000  1.510
   66    67   340.000  1.090
   66    68   268.000  1.529
   66    70   268.000  1.529
   68    69   340.000  1.090
   68    74   268.000  1.529
   68    76   320.000  1.410
   74    75   340.000  1.090
   74    78   268.000  1.529
   74    81   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    85   268.000  1.529
   85    86   340.000  1.090
   85    87   270.000  1.512
   85    89   268.000  1.529
   87    88   745.000  1.250
   87    40   465.000  1.376
   40    41   340.000  1.080
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   76    77   553.000  0.945
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    58   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  112.20000
   33    38    39    35.00000  117.00000
   33    38    42    70.00000  124.00000
   33    40    87    70.00000  124.00000
   33    40    41    35.00000  117.00000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    44    70.00000  124.00000
   42    38    39    35.00000  120.00000
   42    44    45    35.00000  109.50000
   42    44    46    70.00000  112.02700
   42    44    48    70.00000  112.02700
   44    42    43    35.00000  117.00000
   44    46    47    37.50000  110.70000
   44    46    52    50.00000  109.50000
   44    46    53    58.35000  112.70000
   44    48    49    37.50000  110.70000
   44    48    50    37.50000  110.70000
   44    48    51    37.50000  110.70000
   46    44    45    37.50000  110.70000
   46    52    56    83.00000  116.90000
   46    53    54    37.50000  110.70000
   46    53    55    37.50000  110.70000
   46    53    58    58.35000  112.70000
   52    46    47    35.00000  109.50000
   52    56    57    83.00000  123.40000
   52    56    62    90.00000  111.29400
   56    62    63    40.00000  117.72500
   56    62    64    65.00000  118.96000
   62    56    57    80.00000  123.72100
   62    64    65    35.00000  120.00000
   62    64    66    70.00000  124.00000
   64    62    63    35.00000  120.00000
   64    66    67    35.00000  109.50000
   64    66    68    70.00000  112.02700
   64    66    70    70.00000  112.02700
   66    64    65    35.00000  117.00000
   66    68    69    37.50000  110.70000
   66    68    74    58.35000  112.70000
   66    68    76    50.00000  109.50000
   66    70    71    37.50000  110.70000
   66    70    72    37.50000  110.70000
   66    70    73    37.50000  110.70000
   68    66    67    37.50000  110.70000
   68    74    75    37.50000  110.70000
   68    74    78    58.35000  112.70000
   68    74    81    58.35000  112.70000
   68    76    77    55.00000  108.50000
   74    68    69    37.50000  110.70000
   74    78    79    37.50000  110.70000
   74    78    80    37.50000  110.70000
   74    78    85    58.35000  112.70000
   74    81    82    37.50000  110.70000
   74    81    83    37.50000  110.70000
   74    81    84    37.50000  110.70000
   78    74    75    37.50000  110.70000
   78    85    86    37.50000  110.70000
   78    85    87    70.00000  112.02700
   78    85    89    58.35000  112.70000
   80    78    79    33.00000  107.80000
   85    78    79    37.50000  110.70000
   85    78    80    37.50000  110.70000
   85    87    88    85.00000  112.85300
   85    87    40    65.00000  122.18000
   85    89    90    37.50000  110.70000
   85    89    91    37.50000  110.70000
   85    89    92    37.50000  110.70000
   87    85    86    45.00000  110.52000
   87    40    41    40.00000  120.50800
   40    33    34    35.00000  109.50000
   40    33    38    70.00000  110.12100
   40    87    88    65.00000  137.10300
   89    85    86    37.50000  110.70000
   89    85    87    70.00000  112.02700
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   81    74    75    37.50000  110.70000
   81    74    78    58.35000  112.70000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   76    68    69    35.00000  109.50000
   76    68    74    50.00000  109.50000
   70    66    67    37.50000  110.70000
   70    66    68    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   53    46    47    37.50000  110.70000
   53    46    52    50.00000  109.50000
   53    58    59    37.50000  110.70000
   53    58    60    37.50000  110.70000
   53    58    61    37.50000  110.70000
   55    53    54    33.00000  107.80000
   58    53    54    37.50000  110.70000
   58    53    55    37.50000  110.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   48    44    45    37.50000  110.70000
   48    44    46    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40  -0.62250  1.0 1.0
   24    29    33    40  -0.38450 -1.0 2.0
   24    29    33    40   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    38    39   0.00000  1.0 1.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    40    87   0.42700  1.0 1.0
   29    33    40    87  -0.70350 -1.0 2.0
   29    33    40    87  -0.43150  1.0 3.0
   29    33    40    41   0.00000  1.0 1.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    44   7.00000 -1.0 2.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    40    87   0.00000  1.0 1.0
   34    33    40    41   0.33100  1.0 3.0
   38    33    40    87  -0.28300  1.0 1.0
   38    33    40    87   0.26700 -1.0 2.0
   38    33    40    87  -0.63300  1.0 3.0
   38    33    40    41   0.00000  1.0 1.0
   38    42    44    45   0.00000  1.0 1.0
   38    42    44    46   0.09850  1.0 1.0
   38    42    44    46   0.15250 -1.0 2.0
   38    42    44    46  -0.50650  1.0 3.0
   38    42    44    48   0.09850  1.0 1.0
   38    42    44    48   0.15250 -1.0 2.0
   38    42    44    48  -0.50650  1.0 3.0
   39    38    42    43   7.00000 -1.0 2.0
   39    38    42    44   7.00000 -1.0 2.0
   42    44    46    47   0.15000  1.0 3.0
   42    44    46    52   0.61850  1.0 1.0
   42    44    46    52  -0.22750 -1.0 2.0
   42    44    46    52   0.15300  1.0 3.0
   42    44    46    53   0.34400  1.0 1.0
   42    44    46    53   0.09450 -1.0 2.0
   42    44    46    53   0.11100  1.0 3.0
   42    44    48    49   0.15000  1.0 3.0
   42    44    48    50   0.15000  1.0 3.0
   42    44    48    51   0.15000  1.0 3.0
   43    42    44    45   0.33100  1.0 3.0
   43    42    44    46   0.00000  1.0 1.0
   43    42    44    48   0.00000  1.0 1.0
   44    46    52    56  -0.25900  1.0 1.0
   44    46    52    56  -0.47000 -1.0 2.0
   44    46    52    56   0.11750  1.0 3.0
   44    46    53    54   0.15000  1.0 3.0
   44    46    53    55   0.15000  1.0 3.0
   44    46    53    58   0.56750  1.0 1.0
   44    46    53    58  -0.07550 -1.0 2.0
   44    46    53    58   0.20000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    52   0.23400  1.0 3.0
   45    44    46    53   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    50   0.15000  1.0 3.0
   45    44    48    51   0.15000  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    44    48    50   0.15000  1.0 3.0
   46    44    48    51   0.15000  1.0 3.0
   46    52    56    57   3.00000 -1.0 2.0
   46    52    56    62   2.00000 -1.0 2.0
   46    53    58    59   0.15000  1.0 3.0
   46    53    58    60   0.15000  1.0 3.0
   46    53    58    61   0.15000  1.0 3.0
   47    46    52    56   0.08050  1.0 3.0
   47    46    53    54   0.15000  1.0 3.0
   47    46    53    55   0.15000  1.0 3.0
   47    46    53    58   0.15000  1.0 3.0
   52    46    53    54   0.23400  1.0 3.0
   52    46    53    55   0.23400  1.0 3.0
   52    46    53    58   0.62750  1.0 1.0
   52    46    53    58  -0.30950 -1.0 2.0
   52    46    53    58   0.27300  1.0 3.0
   52    56    62    63   1.63100 -1.0 2.0
   52    56    62    64  -0.56150  1.0 1.0
   52    56    62    64   2.19150 -1.0 2.0
   56    62    64    65   7.00000 -1.0 2.0
   56    62    64    66   7.00000 -1.0 2.0
   57    56    62    63   0.00000  1.0 1.0
   57    56    62    64   1.00000 -1.0 2.0
   62    64    66    67   0.00000  1.0 1.0
   62    64    66    68   0.09850  1.0 1.0
   62    64    66    68   0.15250 -1.0 2.0
   62    64    66    68  -0.50650  1.0 3.0
   62    64    66    70   0.09850  1.0 1.0
   62    64    66    70   0.15250 -1.0 2.0
   62    64    66    70  -0.50650  1.0 3.0
   63    62    64    65   7.00000 -1.0 2.0
   63    62    64    66   7.00000 -1.0 2.0
   64    66    68    69   0.15000  1.0 3.0
   64    66    68    74   0.34400  1.0 1.0
   64    66    68    74   0.09450 -1.0 2.0
   64    66    68    74   0.11100  1.0 3.0
   64    66    68    76   1.05650  1.0 1.0
   64    66    68    76   0.15600 -1.0 2.0
   64    66    68    76   0.53150  1.0 3.0
   64    66    70    71   0.15000  1.0 3.0
   64    66    70    72   0.15000  1.0 3.0
   64    66    70    73   0.15000  1.0 3.0
   65    64    66    67   0.33100  1.0 3.0
   65    64    66    68   0.00000  1.0 1.0
   65    64    66    70   0.00000  1.0 1.0
   66    68    74    75   0.15000  1.0 3.0
   66    68    74    78   0.56750  1.0 1.0
   66    68    74    78  -0.07550 -1.0 2.0
   66    68    74    78   0.20000  1.0 3.0
   66    68    74    81   0.56750  1.0 1.0
   66    68    74    81  -0.07550 -1.0 2.0
   66    68    74    81   0.20000  1.0 3.0
   66    68    76    77  -0.11600  1.0 1.0
   66    68    76    77  -0.09450 -1.0 2.0
   66    68    76    77   0.21250  1.0 3.0
   67    66    68    69   0.15000  1.0 3.0
   67    66    68    74   0.15000  1.0 3.0
   67    66    68    76   0.23400  1.0 3.0
   67    66    70    71   0.15000  1.0 3.0
   67    66    70    72   0.15000  1.0 3.0
   67    66    70    73   0.15000  1.0 3.0
   68    66    70    71   0.15000  1.0 3.0
   68    66    70    72   0.15000  1.0 3.0
   68    66    70    73   0.15000  1.0 3.0
   68    74    78    79   0.15000  1.0 3.0
   68    74    78    80   0.15000  1.0 3.0
   68    74    78    85   0.56750  1.0 1.0
   68    74    78    85  -0.07550 -1.0 2.0
   68    74    78    85   0.20000  1.0 3.0
   68    74    81    82   0.15000  1.0 3.0
   68    74    81    83   0.15000  1.0 3.0
   68    74    81    84   0.15000  1.0 3.0
   69    68    74    75   0.15000  1.0 3.0
   69    68    74    78   0.15000  1.0 3.0
   69    68    74    81   0.15000  1.0 3.0
   69    68    76    77   0.19450  1.0 3.0
   74    68    76    77  -0.11600  1.0 1.0
   74    68    76    77  -0.09450 -1.0 2.0
   74    68    76    77   0.21250  1.0 3.0
   74    78    85    86   0.15000  1.0 3.0
   74    78    85    87   0.34400  1.0 1.0
   74    78    85    87   0.09450 -1.0 2.0
   74    78    85    87   0.11100  1.0 3.0
   74    78    85    89   0.56750  1.0 1.0
   74    78    85    89  -0.07550 -1.0 2.0
   74    78    85    89   0.20000  1.0 3.0
   75    74    78    79   0.15000  1.0 3.0
   75    74    78    80   0.15000  1.0 3.0
   75    74    78    85   0.15000  1.0 3.0
   75    74    81    82   0.15000  1.0 3.0
   75    74    81    83   0.15000  1.0 3.0
   75    74    81    84   0.15000  1.0 3.0
   78    74    81    82   0.15000  1.0 3.0
   78    74    81    83   0.15000  1.0 3.0
   78    74    81    84   0.15000  1.0 3.0
   78    85    87    88   0.09700  1.0 1.0
   78    85    87    88   0.15600 -1.0 2.0
   78    85    87    88  -0.50800  1.0 3.0
   78    85    87    40   0.09850  1.0 1.0
   78    85    87    40   0.15250 -1.0 2.0
   78    85    87    40  -0.50650  1.0 3.0
   78    85    89    90   0.15000  1.0 3.0
   78    85    89    91   0.15000  1.0 3.0
   78    85    89    92   0.15000  1.0 3.0
   79    78    85    86   0.15000  1.0 3.0
   79    78    85    87   0.15000  1.0 3.0
   79    78    85    89   0.15000  1.0 3.0
   80    78    85    86   0.15000  1.0 3.0
   80    78    85    87   0.15000  1.0 3.0
   80    78    85    89   0.15000  1.0 3.0
   85    87    40    33   7.00000 -1.0 2.0
   85    87    40    41   7.00000 -1.0 2.0
   86    85    87    88   0.00000  1.0 1.0
   86    85    87    40   0.00000  1.0 1.0
   86    85    89    90   0.15000  1.0 3.0
   86    85    89    91   0.15000  1.0 3.0
   86    85    89    92   0.15000  1.0 3.0
   87    85    89    90   0.15000  1.0 3.0
   87    85    89    91   0.15000  1.0 3.0
   87    85    89    92   0.15000  1.0 3.0
   88    87    40    33   7.00000 -1.0 2.0
   88    87    40    41   7.00000 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    42  -0.28300  1.0 1.0
   40    33    38    42   0.26700 -1.0 2.0
   40    33    38    42  -0.63300  1.0 3.0
   89    85    87    88   0.09700  1.0 1.0
   89    85    87    88   0.15600 -1.0 2.0
   89    85    87    88  -0.50800  1.0 3.0
   89    85    87    40   0.09850  1.0 1.0
   89    85    87    40   0.15250 -1.0 2.0
   89    85    87    40  -0.50650  1.0 3.0
   81    74    78    79   0.15000  1.0 3.0
   81    74    78    80   0.15000  1.0 3.0
   81    74    78    85   0.56750  1.0 1.0
   81    74    78    85  -0.07550 -1.0 2.0
   81    74    78    85   0.20000  1.0 3.0
   76    68    74    75   0.23400  1.0 3.0
   76    68    74    78   0.86500  1.0 1.0
   76    68    74    78  -0.17500 -1.0 2.0
   76    68    74    78   0.20800  1.0 3.0
   76    68    74    81   0.86500  1.0 1.0
   76    68    74    81  -0.17500 -1.0 2.0
   76    68    74    81   0.20800  1.0 3.0
   70    66    68    69   0.15000  1.0 3.0
   70    66    68    74   0.56750  1.0 1.0
   70    66    68    74  -0.07550 -1.0 2.0
   70    66    68    74   0.20000  1.0 3.0
   70    66    68    76   0.86500  1.0 1.0
   70    66    68    76  -0.17500 -1.0 2.0
   70    66    68    76   0.20800  1.0 3.0
   53    46    52    56  -0.25900  1.0 1.0
   53    46    52    56  -0.47000 -1.0 2.0
   53    46    52    56   0.11750  1.0 3.0
   54    53    58    59   0.15000  1.0 3.0
   54    53    58    60   0.15000  1.0 3.0
   54    53    58    61   0.15000  1.0 3.0
   55    53    58    59   0.15000  1.0 3.0
   55    53    58    60   0.15000  1.0 3.0
   55    53    58    61   0.15000  1.0 3.0
   48    44    46    47   0.15000  1.0 3.0
   48    44    46    52   0.62750  1.0 1.0
   48    44    46    52  -0.30950 -1.0 2.0
   48    44    46    52   0.27300  1.0 3.0
   48    44    46    53   0.56750  1.0 1.0
   48    44    46    53  -0.07550 -1.0 2.0
   48    44    46    53   0.20000  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
   33    39    38    42   1.10000 -1.0 2.0
   44    43    42    38   1.10000 -1.0 2.0
   52    62    56    57  10.50000 -1.0 2.0
   56    63    62    64   1.10000 -1.0 2.0
   66    65    64    62   1.10000 -1.0 2.0
   85    88    87    40   1.10000 -1.0 2.0
   33    41    40    87   1.10000 -1.0 2.0
END
