* LIGAND DATABASE FILE (OPLS2005)
*
001      92    93    167    245     484
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02009   106.50794    -8.92200
    3     1 S   H    _H1_     3     1.02079    52.84070    92.37932
    4     1 S   H    _H2_     4     1.02135    59.32914  -111.26161
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08610   110.54789    58.81774
   26    24 S   HC   HB22    34     1.08575   109.89770   179.12800
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C25    36     1.83010    97.92533  -178.15772
   34    33 S   HC   _H3_    37     1.09563   105.67579    40.68370
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CM   _C11    38     1.53280   109.86974   159.93485
   39    33 S   CT   _C24    89     1.52932   109.84867   -73.21767
   40    39 S   HC   _H54    90     1.09637   110.88035   -66.23456
   41    39 S   HC   _H55    91     1.09581   112.60967   173.05248
   42    39 S   HC   _H56    92     1.09635   110.49190    52.45854
   43    38 S   CMA  _C12    39     1.36878   122.92779  -116.24427
   44    43 S   OM   _O23    40     1.27050   125.49719  -177.96558
   45    38 S   CT   _C22    85     1.52120   115.17740    64.27316
   46    45 S   HC   _H48    86     1.09491   110.30711   -90.55508
   47    45 S   HC   _H49    87     1.09388   110.88567   149.16778
   48    45 S   HC   _H50    88     1.09430   113.47257    29.58076
   49    43 S   OS   _O28    41     1.41967   111.85956     0.25717
   50    49 S   CT   _C19    42     1.42981   113.68925   150.00432
   51    50 S   HC   _H41    43     1.09759   105.59752    40.03422
   52    50 S   CT   _C16    44     1.55533   108.35153   -73.87640
   53    52 S   HC   _H38    45     1.09866   109.39807    34.16251
   54    50 S   CT   _C18    59     1.55768   111.06405   157.84164
   55    54 S   HC   _H40    60     1.09729   108.69223   163.33023
   56    52 S   CM   _C6_    46     1.52299   115.69394   -87.81905
   57    54 S   CM   _C8_    61     1.49663   112.39750   -77.71305
   58    52 S   OH   _O27    83     1.43132   108.19063   149.02311
   59    58 S   HO   _H58    84     0.96767   106.19168   -53.14421
   60    56 S   CM   _C4_    47     1.34818   118.69015    68.70026
   61    60 S   HC   _H31    48     1.08838   118.14773     3.86928
   62    57 S   CO4  _C9_    62     1.46827   111.03440   119.77357
   63    62 S   O    _O24    63     1.21856   127.00903  -177.28906
   64    57 S   CM   _C10    65     1.33669   127.88164   -62.45844
   65    64 S   HC   _H33    66     1.08311   120.68656     2.38129
   66    64 S   HC   _H34    67     1.08229   120.64020  -177.53733
   67    56 S   CT   _C20    79     1.50694   117.20768  -107.84919
   68    67 S   HC   _H42    80     1.08524   109.13173   -93.64886
   69    67 S   HC   _H43    81     1.08516   109.11277   146.13017
   70    67 S   HC   _H44    82     1.08611   109.11210    26.52854
   71    60 S   CT   _C14    49     1.50281   127.50675  -169.66161
   72    71 S   HC   _H35    50     1.09716   107.09509  -145.19103
   73    71 S   HC   _H36    51     1.09538   111.90470   -29.65811
   74    87 S   OS   _O26    64     1.44449   107.35453   119.64788
   75    71 S   CT   _C17    52     1.54404   112.37300    94.95311
   76    75 S   HC   _H39    53     1.09723   107.28434   176.97955
   77    75 S   CM   _C7_    54     1.52407   114.57794   -63.37351
   78    75 S   OS   _O29    72     1.42565   110.78415    63.28055
   79    77 S   CM   _C5_    55     1.35116   127.38959    85.24958
   80    79 S   HC   _H32    56     1.08992   117.41873   179.03897
   81    77 S   CT   _C21    68     1.51039   113.64303   -94.66270
   82    81 S   HC   _H45    69     1.08378   108.98282   -90.09936
   83    81 S   HC   _H46    70     1.08441   108.96687   149.71499
   84    81 S   HC   _H47    71     1.08451   108.96672    30.14957
   85    78 S   CO4  _C13    73     1.36613   115.60923   145.36580
   86    85 S   O    _O25    74     1.22324   126.22083    -0.03956
   87    79 S   CT   _C15    57     1.50853   128.96262    -2.68424
   88    87 S   HC   _H37    58     1.08895   111.19715     4.87001
   89    85 S   CT   _C23    75     1.49855   109.70199   179.97202
   90    89 S   HC   _H51    76     1.09279   109.82938   -89.98277
   91    89 S   HC   _H52    77     1.09281   109.81178   148.10814
   92    89 S   HC   _H53    78     1.09383   109.38512    29.11804
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  13   7   2   1   1  12   5   2   1   1  10   3   4   2   1   1
  10  17   8  15   6  15   7  12   9   3   1  12   5   8   3   4
   1   1   4   2   1   1   9   5   4   5  13   5  10   8   7   3
   4   2   1   1   5   4   1   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    43    45    39    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    43    44    49    45    46    47    48    39    40    41    42  
   38    43    45    39    40    41    42  
   36    37  
   37  
    0  
   43    44    49    50    45    46    47    48    39    40    41    42  
   40    41    42    43    45  
   41    42  
   42  
    0  
   44    49    50    51    52    54    45    46    47    48  
   49    50    45  
   46    47    48    49  
   47    48  
   48  
    0  
   50    51    52    53    56    87    54    55    57    58  
   51    52    53    56    60    79    87    88    54    55    57    62    74    64    67    58    59  
   52    53    56    87    54    55    57    58  
   53    56    60    61    71    87    54    55    57    67    68    69    70    58    59  
   56    60    54    67    58    59  
   55    57    62    63    74    64    65    66    58    56    77    79    80    87    88  
   57    62    74    64    79    87    88  
   60    61    71    72    73    75    67    68    69    70    58    59  
   62    63    74    64    65    66    79    87    88  
   59    60    67  
    0  
   61    71    72    73    75    76    77    78    67    68    69    70  
   71    72    73    75    67  
   63    74    64    65    66    79    87    88  
   74    64    87  
   65    66    74    87  
   66  
    0  
   68    69    70    71  
   69    70  
   70  
    0  
   72    73    75    76    77    79    81    78    85  
   73    75    76    77    78  
   75    76    77    78  
   77    79    80    87    88  
   76    77    79    80    87    81    82    83    84    78    85    86    89  
   77    79    81    78    85  
   79    80    87    88    81    82    83    84    78    85  
   85    86    89    90    91    92    79    81  
   80    87    88    81    82    83    84  
   87    88    81  
   82    83    84    87  
   83    84  
   84  
    0  
   86    89    90    91    92  
   89    90    91    92  
   88  
    0  
   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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.205000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   59   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   77   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   78   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   79   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   80   2.4200   0.0300   0.115000   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   86   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   87   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   89   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   91   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   92   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    43   465.000  1.376
   38    45   317.000  1.510
   43    44   745.000  1.250
   43    49   440.000  1.360
   49    50   320.000  1.410
   50    51   340.000  1.090
   50    52   268.000  1.529
   50    54   268.000  1.529
   52    53   340.000  1.090
   52    56   317.000  1.510
   52    58   320.000  1.410
   56    60   549.000  1.340
   56    67   317.000  1.510
   60    61   340.000  1.080
   60    71   317.000  1.510
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    75   268.000  1.529
   75    76   340.000  1.090
   75    77   317.000  1.510
   75    78   320.000  1.410
   77    79   549.000  1.340
   77    81   317.000  1.510
   79    80   340.000  1.080
   79    87   317.000  1.510
   87    88   340.000  1.090
   87    54   268.000  1.529
   87    74   320.000  1.410
   54    55   340.000  1.090
   54    57   317.000  1.510
   57    62   320.000  1.462
   57    64   549.000  1.340
   62    63   570.000  1.229
   62    74   214.000  1.327
   64    65   340.000  1.080
   64    66   340.000  1.080
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   78    85   214.000  1.327
   85    86   570.000  1.229
   85    89   317.000  1.522
   89    90   340.000  1.090
   89    91   340.000  1.090
   89    92   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   58    59   553.000  0.945
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    38    43    70.00000  124.00000
   33    38    45    65.00000  117.92700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    65.00000  137.10300
   38    43    49    80.00000  120.01400
   38    45    46    35.00000  109.50000
   38    45    47    35.00000  109.50000
   38    45    48    35.00000  109.50000
   43    49    50    90.00000  111.18400
   49    43    44    65.00000  121.00000
   49    50    51    35.00000  109.50000
   49    50    52    50.00000  109.50000
   49    50    54    50.00000  109.50000
   50    52    53    37.50000  110.70000
   50    52    56    70.00000  112.02700
   50    52    58    50.00000  109.50000
   50    54    87    58.35000  112.70000
   50    54    55    37.50000  110.70000
   50    54    57    70.00000  112.02700
   52    50    51    37.50000  110.70000
   52    56    60    70.00000  124.00000
   52    56    67    65.00000  117.92700
   52    58    59    55.00000  108.50000
   56    52    53    35.00000  109.50000
   56    60    61    35.00000  120.00000
   56    60    71    70.00000  124.00000
   56    67    68    35.00000  109.50000
   56    67    69    35.00000  109.50000
   56    67    70    35.00000  109.50000
   60    71    72    35.00000  109.50000
   60    71    73    35.00000  109.50000
   60    71    75    70.00000  112.02700
   71    60    61    35.00000  117.00000
   71    75    76    37.50000  110.70000
   71    75    77    70.00000  112.02700
   71    75    78    50.00000  109.50000
   73    71    72    33.00000  107.80000
   75    71    72    37.50000  110.70000
   75    71    73    37.50000  110.70000
   75    77    79    70.00000  124.00000
   75    77    81    65.00000  117.92700
   75    78    85    83.00000  116.90000
   77    75    76    35.00000  109.50000
   77    79    80    35.00000  120.00000
   77    79    87    70.00000  124.00000
   77    81    82    35.00000  109.50000
   77    81    83    35.00000  109.50000
   77    81    84    35.00000  109.50000
   79    87    88    35.00000  109.50000
   79    87    54    70.00000  112.02700
   79    87    74    85.00000  110.90400
   87    79    80    35.00000  117.00000
   87    54    55    37.50000  110.70000
   87    54    57    70.00000  112.02700
   87    74    62    83.00000  116.90000
   54    50    51    37.50000  110.70000
   54    50    52    58.35000  112.70000
   54    87    88    37.50000  110.70000
   54    57    62    65.00000  116.34900
   54    57    64    70.00000  124.00000
   57    54    55    35.00000  109.50000
   57    62    63    80.00000  123.72100
   57    62    74    90.00000  111.29400
   57    64    65    35.00000  120.00000
   57    64    66    35.00000  120.00000
   74    87    88    35.00000  109.50000
   74    87    54    50.00000  109.50000
   74    62    63    83.00000  123.40000
   64    57    62    65.00000  118.96000
   66    64    65    35.00000  117.00000
   81    77    79    70.00000  124.00000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   78    75    76    35.00000  109.50000
   78    75    77    85.00000  110.90400
   78    85    86    83.00000  123.40000
   78    85    89    81.00000  111.40000
   85    89    90    35.00000  109.50000
   85    89    91    35.00000  109.50000
   85    89    92    35.00000  109.50000
   89    85    86    80.00000  120.40000
   91    89    90    33.00000  107.80000
   92    89    90    33.00000  107.80000
   92    89    91    33.00000  107.80000
   67    56    60    70.00000  124.00000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   58    52    53    35.00000  109.50000
   58    52    56    90.00000  110.39200
   45    38    43    70.00000  124.00000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    43   0.42700  1.0 1.0
   29    33    38    43  -0.70350 -1.0 2.0
   29    33    38    43  -0.43150  1.0 3.0
   29    33    38    45   0.30250  1.0 1.0
   29    33    38    45  -0.14950 -1.0 2.0
   29    33    38    45   0.36900  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    38    43    44   7.00000 -1.0 2.0
   33    38    43    49   7.00000 -1.0 2.0
   33    38    45    46   0.34800  1.0 3.0
   33    38    45    47   0.34800  1.0 3.0
   33    38    45    48   0.34800  1.0 3.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    38    45   0.34800  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    42   0.15000  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    33    39    42   0.15000  1.0 3.0
   38    43    49    50  -2.26850  1.0 1.0
   38    43    49    50   3.39050 -1.0 2.0
   43    38    45    46   0.00000  1.0 1.0
   43    38    45    47   0.00000  1.0 1.0
   43    38    45    48   0.00000  1.0 1.0
   43    49    50    51   0.08050  1.0 3.0
   43    49    50    52  -0.46850  1.0 1.0
   43    49    50    52   0.09300 -1.0 2.0
   43    49    50    52  -0.12850  1.0 3.0
   43    49    50    54  -0.46850  1.0 1.0
   43    49    50    54   0.09300 -1.0 2.0
   43    49    50    54  -0.12850  1.0 3.0
   44    43    49    50   2.00000 -1.0 2.0
   49    50    52    53   0.23400  1.0 3.0
   49    50    52    56   0.61850  1.0 1.0
   49    50    52    56  -0.22750 -1.0 2.0
   49    50    52    56   0.15300  1.0 3.0
   49    50    52    58   3.69350  1.0 1.0
   49    50    52    58  -1.82950 -1.0 2.0
   49    50    54    87   0.62750  1.0 1.0
   49    50    54    87  -0.30950 -1.0 2.0
   49    50    54    87   0.27300  1.0 3.0
   49    50    54    55   0.23400  1.0 3.0
   49    50    54    57   0.61850  1.0 1.0
   49    50    54    57  -0.22750 -1.0 2.0
   49    50    54    57   0.15300  1.0 3.0
   50    52    56    60   0.09850  1.0 1.0
   50    52    56    60   0.15250 -1.0 2.0
   50    52    56    60  -0.50650  1.0 3.0
   50    52    56    67   0.46850  1.0 1.0
   50    52    56    67   0.08550 -1.0 2.0
   50    52    56    67   0.09800  1.0 3.0
   50    52    58    59  -0.11600  1.0 1.0
   50    52    58    59  -0.09450 -1.0 2.0
   50    52    58    59   0.21250  1.0 3.0
   50    54    57    62   0.09700  1.0 1.0
   50    54    57    62   0.15600 -1.0 2.0
   50    54    57    62  -0.50800  1.0 3.0
   50    54    57    64   0.09850  1.0 1.0
   50    54    57    64   0.15250 -1.0 2.0
   50    54    57    64  -0.50650  1.0 3.0
   51    50    52    53   0.15000  1.0 3.0
   51    50    52    56   0.15000  1.0 3.0
   51    50    52    58   0.23400  1.0 3.0
   51    50    54    87   0.15000  1.0 3.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    57   0.15000  1.0 3.0
   52    50    54    87   0.56750  1.0 1.0
   52    50    54    87  -0.07550 -1.0 2.0
   52    50    54    87   0.20000  1.0 3.0
   52    50    54    55   0.15000  1.0 3.0
   52    50    54    57   0.34400  1.0 1.0
   52    50    54    57   0.09450 -1.0 2.0
   52    50    54    57   0.11100  1.0 3.0
   52    56    60    61   7.00000 -1.0 2.0
   52    56    60    71   7.00000 -1.0 2.0
   52    56    67    68   0.34800  1.0 3.0
   52    56    67    69   0.34800  1.0 3.0
   52    56    67    70   0.34800  1.0 3.0
   53    52    56    60   0.00000  1.0 1.0
   53    52    56    67   0.34800  1.0 3.0
   53    52    58    59   0.19450  1.0 3.0
   56    52    58    59  -0.07800  1.0 1.0
   56    52    58    59  -0.21500 -1.0 2.0
   56    52    58    59  -0.03150  1.0 3.0
   56    60    71    72   0.00000  1.0 1.0
   56    60    71    73   0.00000  1.0 1.0
   56    60    71    75   0.09850  1.0 1.0
   56    60    71    75   0.15250 -1.0 2.0
   56    60    71    75  -0.50650  1.0 3.0
   60    56    67    68   0.00000  1.0 1.0
   60    56    67    69   0.00000  1.0 1.0
   60    56    67    70   0.00000  1.0 1.0
   60    71    75    76   0.15000  1.0 3.0
   60    71    75    77   0.31000  1.0 1.0
   60    71    75    77   0.14700 -1.0 2.0
   60    71    75    77   0.07550  1.0 3.0
   60    71    75    78   0.61850  1.0 1.0
   60    71    75    78  -0.22750 -1.0 2.0
   60    71    75    78   0.15300  1.0 3.0
   61    60    71    72   0.33100  1.0 3.0
   61    60    71    73   0.33100  1.0 3.0
   61    60    71    75   0.00000  1.0 1.0
   71    75    77    79   0.09850  1.0 1.0
   71    75    77    79   0.15250 -1.0 2.0
   71    75    77    79  -0.50650  1.0 3.0
   71    75    77    81   0.46850  1.0 1.0
   71    75    77    81   0.08550 -1.0 2.0
   71    75    77    81   0.09800  1.0 3.0
   71    75    78    85  -0.25900  1.0 1.0
   71    75    78    85  -0.47000 -1.0 2.0
   71    75    78    85   0.11750  1.0 3.0
   72    71    75    76   0.15000  1.0 3.0
   72    71    75    77   0.15000  1.0 3.0
   72    71    75    78   0.23400  1.0 3.0
   73    71    75    76   0.15000  1.0 3.0
   73    71    75    77   0.15000  1.0 3.0
   73    71    75    78   0.23400  1.0 3.0
   75    77    79    80   7.00000 -1.0 2.0
   75    77    79    87   7.00000 -1.0 2.0
   75    77    81    82   0.34800  1.0 3.0
   75    77    81    83   0.34800  1.0 3.0
   75    77    81    84   0.34800  1.0 3.0
   75    78    85    86   3.00000 -1.0 2.0
   75    78    85    89   1.63150  1.0 1.0
   75    78    85    89   2.92000 -1.0 2.0
   76    75    77    79   0.00000  1.0 1.0
   76    75    77    81   0.34800  1.0 3.0
   76    75    78    85   0.08050  1.0 3.0
   77    75    78    85  -0.82050  1.0 1.0
   77    75    78    85   0.00600 -1.0 2.0
   77    75    78    85   0.04400  1.0 3.0
   77    79    87    88   0.00000  1.0 1.0
   77    79    87    54   0.09850  1.0 1.0
   77    79    87    54   0.15250 -1.0 2.0
   77    79    87    54  -0.50650  1.0 3.0
   77    79    87    74   0.39000  1.0 1.0
   77    79    87    74  -0.05800 -1.0 2.0
   77    79    87    74  -0.55150  1.0 3.0
   79    77    81    82   0.00000  1.0 1.0
   79    77    81    83   0.00000  1.0 1.0
   79    77    81    84   0.00000  1.0 1.0
   79    87    54    50   0.34400  1.0 1.0
   79    87    54    50   0.09450 -1.0 2.0
   79    87    54    50   0.11100  1.0 3.0
   79    87    54    55   0.15000  1.0 3.0
   79    87    54    57   0.31000  1.0 1.0
   79    87    54    57   0.14700 -1.0 2.0
   79    87    54    57   0.07550  1.0 3.0
   79    87    74    62  -0.82050  1.0 1.0
   79    87    74    62   0.00600 -1.0 2.0
   79    87    74    62   0.04400  1.0 3.0
   80    79    87    88   0.33100  1.0 3.0
   80    79    87    54   0.00000  1.0 1.0
   80    79    87    74   0.00000  1.0 1.0
   87    54   -57    62   0.09700  1.0 1.0
   87    54   -57    62   0.15600 -1.0 2.0
   87    54   -57    62  -0.50800  1.0 3.0
   87    54    57    64   0.09850  1.0 1.0
   87    54    57    64   0.15250 -1.0 2.0
   87    54    57    64  -0.50650  1.0 3.0
   88    87    54    50   0.15000  1.0 3.0
   88    87    54    55   0.15000  1.0 3.0
   88    87    54    57   0.15000  1.0 3.0
   88    87    74    62   0.08050  1.0 3.0
   54    50    52    53   0.15000  1.0 3.0
   54    50    52    56   0.34400  1.0 1.0
   54    50    52    56   0.09450 -1.0 2.0
   54    50    52    56   0.11100  1.0 3.0
   54    50    52    58   0.86500  1.0 1.0
   54    50    52    58  -0.17500 -1.0 2.0
   54    50    52    58   0.20800  1.0 3.0
   54    87   -74    62  -0.25900  1.0 1.0
   54    87   -74    62  -0.47000 -1.0 2.0
   54    87   -74    62   0.11750  1.0 3.0
   54    57    62    63  -0.64400  1.0 1.0
   54    57    62    63   0.26850 -1.0 2.0
   54    57   -62    74  -0.15000  1.0 1.0
   54    57   -62    74   0.89550 -1.0 2.0
   54    57   -62    74  -0.06900  1.0 3.0
   54    57    64    65   7.00000 -1.0 2.0
   54    57    64    66   7.00000 -1.0 2.0
   55    54    57    62   0.15000  1.0 3.0
   55    54    57    64   0.00000  1.0 1.0
   57    62   -74    87   2.00000 -1.0 2.0
   62    57    64    65   7.00000 -1.0 2.0
   62    57    64    66   7.00000 -1.0 2.0
   63    62    74    87   3.00000 -1.0 2.0
   74    87    54    50   0.62750  1.0 1.0
   74    87    54    50  -0.30950 -1.0 2.0
   74    87    54    50   0.27300  1.0 3.0
   74    87    54    55   0.23400  1.0 3.0
   74    87   -54    57   0.61850  1.0 1.0
   74    87   -54    57  -0.22750 -1.0 2.0
   74    87   -54    57   0.15300  1.0 3.0
   64    57    62    63   1.00000 -1.0 2.0
   64    57    62    74  -0.56150  1.0 1.0
   64    57    62    74   2.19150 -1.0 2.0
   81    77    79    80   7.00000 -1.0 2.0
   81    77    79    87   7.00000 -1.0 2.0
   78    75    77    79   0.39000  1.0 1.0
   78    75    77    79  -0.05800 -1.0 2.0
   78    75    77    79  -0.55150  1.0 3.0
   78    75    77    81   0.09700  1.0 1.0
   78    75    77    81   0.15600 -1.0 2.0
   78    75    77    81  -0.50800  1.0 3.0
   78    85    89    90   0.00000  1.0 1.0
   78    85    89    91   0.00000  1.0 1.0
   78    85    89    92   0.00000  1.0 1.0
   86    85    89    90   0.00000  1.0 1.0
   86    85    89    91   0.00000  1.0 1.0
   86    85    89    92   0.00000  1.0 1.0
   67    56    60    61   7.00000 -1.0 2.0
   67    56    60    71   7.00000 -1.0 2.0
   58    52    56    60   0.67800  1.0 1.0
   58    52    56    60   0.47050 -1.0 2.0
   58    52    56    60  -0.62500  1.0 3.0
   58    52    56    67   0.18000  1.0 1.0
   58    52    56    67   0.16450 -1.0 2.0
   58    52    56    67   0.04450  1.0 3.0
   45    38    43    44   7.00000 -1.0 2.0
   45    38    43    49   7.00000 -1.0 2.0
   39    33    38    43   0.09850  1.0 1.0
   39    33    38    43   0.15250 -1.0 2.0
   39    33    38    43  -0.50650  1.0 3.0
   39    33    38    45   0.46850  1.0 1.0
   39    33    38    45   0.08550 -1.0 2.0
   39    33    38    45   0.09800  1.0 3.0
IPHI
    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    45    38    43  15.00000 -1.0 2.0
   44    49    43    38  15.00000 -1.0 2.0
   52    67    56    60   1.10000 -1.0 2.0
   71    61    60    56   1.10000 -1.0 2.0
   75    81    77    79   1.10000 -1.0 2.0
   87    80    79    77   1.10000 -1.0 2.0
   54    62    57    64   1.10000 -1.0 2.0
   57    74    62    63  10.50000 -1.0 2.0
   65    66    64    57   1.10000 -1.0 2.0
   78    89    85    86  10.50000 -1.0 2.0
END
