* LIGAND DATABASE FILE (OPLS2005)
*
001      90    91    170    255     484
    1     0 S   NP   _N1_     1    28.71460    94.88303   -19.99113
    2     1 S   H    _HN1     2     1.02773    86.12842   -58.69506
    3     1 S   H    _H1_     3     1.02957    93.31563    49.55701
    4     1 S   H    _H2_     4     1.02837    31.65114   167.05045
    5     1 S   CT   _CA1     5     1.50201   141.87829   179.25244
    6     5 S   HC   _HA1     6     1.09576   105.13811    52.24832
    7     5 S   CO3  _C1_     7     1.53819   112.55700   -67.63398
    8     7 S   O2Z  _O11     8     1.26351   114.97897   -35.68354
    9     7 S   O2Z  _O12     9     1.26231   115.01410   143.38663
   10     5 S   CT   _CB1    10     1.53123   107.34858   170.10984
   11    10 S   HC   HB11    11     1.09811   109.19927   -49.71251
   12    10 S   HC   HB12    12     1.09831   110.38240    66.79755
   13    10 S   CT   _CG1    13     1.53017   112.83162  -170.93479
   14    13 S   HC   HG11    14     1.09576   110.15590   -65.19213
   15    13 S   HC   HG12    15     1.09637   110.18096    53.95166
   16    13 S   C    _CD1    16     1.51889   112.38712   174.02102
   17    16 S   O    _OE1    17     1.22722   123.20864   -11.11007
   18    16 S   N    _N2_    18     1.38620   111.66071   169.56578
   19    18 S   H    _HN2    19     1.01608   118.85564     0.51662
   20    18 S   CT1  _CA2    20     1.46294   123.65026  -177.95464
   21    20 S   HC   _HA2    21     1.09737   109.22744   -20.05493
   22    20 S   C    _C2_    22     1.53431   107.99949  -135.65506
   23    22 S   O    _O2_    23     1.22997   122.36162  -145.08081
   24    20 S   CT   _CB2    32     1.53674   111.49416   102.30433
   25    24 S   HC   HB21    33     1.09466   109.63608    52.59195
   26    24 S   HC   HB22    34     1.09484   110.32911   171.27715
   27    22 S   N    _N3_    24     1.38544   113.24770    42.24459
   28    27 S   H    _HN3    25     1.01537   118.91708    -0.47724
   29    24 S   S    _SG2    35     1.82972   111.58052   -69.81695
   30    27 S   CT   _CA3    26     1.45447   123.40917   175.11665
   31    30 S   HC   HA31    27     1.09526   109.18480    25.25244
   32    30 S   HC   HA32    28     1.09494   107.12969   142.25680
   33    29 S   CT   _C16    36     1.85050   101.71500   154.81090
   34    30 S   CO3  _C3_    29     1.52933   113.17417   -98.18425
   35    34 S   O2Z  _O31    30     1.26399   115.43965   -43.41107
   36    34 S   O2Z  _O32    31     1.26360   114.95691   137.53187
   37    33 S   CT   _C11    37     1.56061   116.41178   -61.89842
   38    37 S   HC   _H31    38     1.09727   109.52978    93.45710
   39    33 S   CT   _C21    87     1.54711   107.55635    62.23064
   40    39 S   HC   _H47    88     1.09645   111.50873    56.02229
   41    39 S   HC   _H48    89     1.09526   111.90950   -65.25603
   42    39 S   HC   _H49    90     1.09544   111.98059   175.68552
   43    37 S   CO4  _C4_    39     1.52478   100.74735  -152.55748
   44    43 S   O    _O22    40     1.22581   123.95836  -164.29742
   45    37 S   CT   _C23    73     1.54085   117.87511   -34.06612
   46    45 S   HC   _H53    74     1.09134   110.57678    51.18924
   47    45 S   HC   _H54    75     1.09303   110.33650   -67.09764
   48    43 S   CT   _C10    41     1.50931   113.18063    15.10595
   49    48 S   HC   _H29    42     1.09273   109.90023   128.99818
   50    48 S   HC   _H30    43     1.09340   108.47582  -109.67513
   51    45 S   CM   _C6_    76     1.50676   111.82833   168.70603
   52    51 S   HC   _H27    77     1.08927   115.46322   -50.21407
   53    33 S   CT   _C14    44     1.55398   109.36035  -179.19254
   54    53 S   HC   _H34    45     1.09707   111.64636   -74.69438
   55    51 S   CM   _C7_    78     1.34173   127.75864   130.16996
   56    55 S   HC   _H28    79     1.08910   117.14039  -179.63416
   57    53 S   OS   _O24    46     1.44393   110.65894    48.13719
   58    55 S   CT   _C24    80     1.49912   127.70178     1.75111
   59    58 S   HC   _H55    81     1.09303   111.98070    14.37848
   60    58 S   HC   _H56    82     1.09627   108.35559   131.07232
   61    57 S   CO4  _C9_    47     1.35966   117.39826  -155.81707
   62    61 S   O    _O23    48     1.22204   127.01543    -1.33881
   63    58 S   CT   _C22    83     1.52011   111.36146  -108.78852
   64    63 S   HC   _H50    84     1.09527   111.27218   -59.18974
   65    63 S   HC   _H51    85     1.09521   111.18789    61.41547
   66    63 S   HC   _H52    86     1.09474   110.17298  -178.88776
   67    61 S   C3T  _C13    49     1.47896   110.41733   177.74120
   68    67 S   HC   _H33    50     1.08725   112.67472   -69.47179
   69    67 S   C3T  _C12    51     1.51408   120.69845   145.77293
   70    69 S   HC   _H32    52     1.08675   116.64251    -1.51981
   71    67 S   C3T  _C15    53     1.51971   120.25586    74.73266
   72    69 S   CM   _C5_    62     1.47037   118.97741   139.39430
   73    72 S   HC   _H26    63     1.08890   115.06508   -29.92456
   74    71 S   CT   _C19    54     1.50906   116.42301  -137.43405
   75    74 S   HC   _H41    55     1.09434   109.80407    87.89953
   76    74 S   HC   _H42    56     1.09499   112.74127   -31.66937
   77    74 S   HC   _H43    57     1.09479   110.47781  -152.72714
   78    71 S   CT   _C20    58     1.50972   119.76486     5.00218
   79    78 S   HC   _H44    59     1.09374   110.24021   -77.24534
   80    78 S   HC   _H45    60     1.09503   110.33427   163.12222
   81    78 S   HC   _H46    61     1.09514   112.44579    43.13875
   82    72 S   CM   _C8_    64     1.34710   127.31755   150.92487
   83    82 S   CT   _C17    65     1.50323   121.22768   179.84805
   84    83 S   HC   _H35    66     1.09490   110.23588   120.18039
   85    83 S   HC   _H36    67     1.09487   110.26476  -119.99784
   86    83 S   HC   _H37    68     1.09505   112.33223     0.11364
   87    82 S   CT   _C18    69     1.50265   123.70789    -0.22728
   88    87 S   HC   _H38    70     1.09500   110.14028   121.59971
   89    87 S   HC   _H39    71     1.09494   110.11799  -118.85861
   90    87 S   HC   _H40    72     1.09370   113.00636     1.47260
  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  13   5   4   3
  19   2   1   1  19   9   9   3   2   1  11   5   9   4   3   6
   4   3   7   3   5   2   8   4   6   6   5   4   9   4   3   2
   1   1  15   6  15   6  11  12   3   7   3   2   1   3   2   1
   1   8   7   3   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    53    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    48    53    54    57    45    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    48    49    50    53    54    57    61    45    46    47    51    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    48    49    50    53    54    57    45    46    47    51    52    55    39    40    41    42  
   43    44    48    53    45    46    47    51    39  
   40    41    42    43    45    48    53    54    57  
   41    42    53  
   42    53  
   53  
   44    48    49    50    53    54    57    45    46    47    51  
   48    49    50    53    45  
   46    47    51    52    55    56    58    48    53  
   47    51    52    55  
   51    52    55  
   49    50    53    54    57    61  
   50    53    54    57  
   53    54    57  
   52    55    56    58    59    60    63  
   55    56    58  
   54    57    61    62    67  
   57    61  
   56    58    59    60    63    64    65    66  
   58    59    60    63  
   61    62    67    68    69    71  
   59    60    63    64    65    66  
   60    63    64    65    66  
   63    64    65    66  
   62    67    68    69    70    71    74    78    72  
   67    68    69    71  
   64    65    66  
   65    66  
   66  
    0  
   68    69    70    71    74    75    76    77    78    79    80    81    72    73    82  
   69    70    71    74    78    72  
   70    71    74    75    76    77    78    79    80    81    72    73    82    83    87  
   71    74    78    72    73    82  
   74    75    76    77    78    79    80    81    72    73    82  
   73    82    83    84    85    86    87    88    89    90    74    78  
   82    83    87  
   75    76    77    78    79    80    81  
   76    77    78  
   77    78  
   78  
   79    80    81  
   80    81  
   81  
    0  
   83    84    85    86    87    88    89    90  
   84    85    86    87    88    89    90  
   85    86    87  
   86    87  
   87  
   88    89    90  
   89    90  
   90  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5000   0.0660  -0.120000   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   72   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    53   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    43   317.000  1.522
   37    45   268.000  1.529
   43    44   570.000  1.229
   43    48   317.000  1.522
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    53   268.000  1.529
   53    54   340.000  1.090
   53    57   320.000  1.410
   57    61   214.000  1.327
   61    62   570.000  1.229
   61    67   290.000  1.496
   67    68   340.000  1.088
   67    69   260.000  1.509
   67    71   260.000  1.509
   69    70   340.000  1.088
   69    71   260.000  1.509
   69    72   305.000  1.480
   71    74   275.000  1.510
   71    78   275.000  1.510
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   72    73   340.000  1.080
   72    82   549.000  1.340
   82    83   317.000  1.510
   82    87   317.000  1.510
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    51   317.000  1.510
   51    52   340.000  1.080
   51    55   549.000  1.340
   55    56   340.000  1.080
   55    58   317.000  1.510
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    53    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    43    63.00000  111.10000
   33    37    45    58.35000  112.70000
   33    53    48    58.35000  112.70000
   33    53    54    37.50000  110.70000
   33    53    57    50.00000  109.50000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    80.00000  120.40000
   37    43    48    70.00000  116.00000
   37    45    46    37.50000  110.70000
   37    45    47    37.50000  110.70000
   37    45    51    70.00000  112.02700
   43    37    38    35.00000  109.50000
   43    48    49    35.00000  109.50000
   43    48    50    35.00000  109.50000
   43    48    53    63.00000  111.10000
   48    43    44    80.00000  120.40000
   48    53    54    37.50000  110.70000
   48    53    57    50.00000  109.50000
   50    48    49    33.00000  107.80000
   53    33    37    58.35000  112.70000
   53    48    49    37.50000  110.70000
   53    48    50    37.50000  110.70000
   53    57    61    83.00000  116.90000
   57    53    54    35.00000  109.50000
   57    61    62    83.00000  123.40000
   57    61    67    81.00000  111.40000
   61    67    68    40.00000  116.18000
   61    67    69    65.00000  117.18000
   61    67    71    65.00000  117.18000
   67    61    62    75.00000  121.36600
   67    69    70    37.50000  117.20000
   67    69    71    10.00000   60.00500
   67    69    72    60.00000  120.58800
   67    71    69    10.00000   60.00500
   67    71    74    60.00000  120.94000
   67    71    78    60.00000  120.94000
   69    67    68    37.50000  117.20000
   69    71    74    60.00000  120.94000
   69    71    78    60.00000  120.94000
   69    72    73    40.00000  117.24000
   69    72    82    55.00000  125.06700
   71    67    68    37.50000  117.20000
   71    67    69    10.00000   60.00500
   71    69    70    37.50000  117.20000
   71    74    75    45.00000  109.38400
   71    74    76    45.00000  109.38400
   71    74    77    45.00000  109.38400
   71    78    79    45.00000  109.38400
   71    78    80    45.00000  109.38400
   71    78    81    45.00000  109.38400
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   78    71    74    58.35000  112.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   72    69    70    40.00000  112.45000
   72    69    71    60.00000  120.58800
   72    82    83    70.00000  124.00000
   72    82    87    70.00000  124.00000
   82    72    73    35.00000  120.00000
   82    83    84    35.00000  109.50000
   82    83    85    35.00000  109.50000
   82    83    86    35.00000  109.50000
   82    87    88    35.00000  109.50000
   82    87    89    35.00000  109.50000
   82    87    90    35.00000  109.50000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   87    82    83    65.00000  117.92700
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   45    37    38    37.50000  110.70000
   45    37    43    63.00000  111.10000
   45    51    52    35.00000  117.00000
   45    51    55    70.00000  124.00000
   47    45    46    33.00000  107.80000
   51    45    46    35.00000  109.50000
   51    45    47    35.00000  109.50000
   51    55    56    35.00000  120.00000
   51    55    58    70.00000  124.00000
   55    51    52    35.00000  120.00000
   55    58    59    35.00000  109.50000
   55    58    60    35.00000  109.50000
   55    58    63    70.00000  112.02700
   58    55    56    35.00000  117.00000
   58    63    64    37.50000  110.70000
   58    63    65    37.50000  110.70000
   58    63    66    37.50000  110.70000
   60    58    59    33.00000  107.80000
   63    58    59    37.50000  110.70000
   63    58    60    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
   39    33    37    58.35000  112.70000
   39    33    53    58.35000  112.70000
   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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   0.21350  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    37    38   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    37    45   0.44750  1.0 1.0
   29    33    37    45  -0.17800 -1.0 2.0
   29    33    37    45   0.20200  1.0 3.0
   29    33    53    48   0.44750  1.0 1.0
   29    33    53    48  -0.17800 -1.0 2.0
   29    33    53    48   0.20200  1.0 3.0
   29    33    53    54   0.15000  1.0 3.0
   29    33    53    57   0.56750  1.0 1.0
   29    33    53    57  -0.07550 -1.0 2.0
   29    33    53    57   0.20000  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    37    43    44   0.30150 -1.0 2.0
   33    37   -43    48   0.60050  1.0 1.0
   33    37   -43    48   0.05600 -1.0 2.0
   33    37   -43    48   0.26150  1.0 3.0
   33    37    45    46   0.15000  1.0 3.0
   33    37    45    47   0.15000  1.0 3.0
   33    37    45    51   0.34400  1.0 1.0
   33    37    45    51   0.09450 -1.0 2.0
   33    37    45    51   0.11100  1.0 3.0
   33    53    57    61  -0.25900  1.0 1.0
   33    53    57    61  -0.47000 -1.0 2.0
   33    53    57    61   0.11750  1.0 3.0
   37    33   -53    48   0.56750  1.0 1.0
   37    33   -53    48  -0.07550 -1.0 2.0
   37    33   -53    48   0.20000  1.0 3.0
   37    33    53    54   0.15000  1.0 3.0
   37    33    53    57   0.62750  1.0 1.0
   37    33    53    57  -0.30950 -1.0 2.0
   37    33    53    57   0.27300  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    43    48    49   0.00000  1.0 1.0
   37    43    48    50   0.00000  1.0 1.0
   37    43   -48    53   0.60050  1.0 1.0
   37    43   -48    53   0.05600 -1.0 2.0
   37    43   -48    53   0.26150  1.0 3.0
   37    45    51    52   0.00000  1.0 1.0
   37    45    51    55   0.09850  1.0 1.0
   37    45    51    55   0.15250 -1.0 2.0
   37    45    51    55  -0.50650  1.0 3.0
   38    37    43    44   0.00000  1.0 1.0
   38    37    43    48   0.00000  1.0 1.0
   38    37    45    46   0.15000  1.0 3.0
   38    37    45    47   0.15000  1.0 3.0
   38    37    45    51   0.15000  1.0 3.0
   43    37    45    46  -0.11250  1.0 3.0
   43    37    45    47  -0.11250  1.0 3.0
   43    37    45    51  -0.98800  1.0 1.0
   43    37    45    51   0.48800 -1.0 2.0
   43    37    45    51   0.76800  1.0 3.0
   43    48   -53    33  -0.95700  1.0 1.0
   43    48   -53    33  -0.18200 -1.0 2.0
   43    48   -53    33   0.29450  1.0 3.0
   43    48    53    54  -0.11250  1.0 3.0
   43    48    53    57  -0.09450  1.0 1.0
   43    48    53    57  -1.12950 -1.0 2.0
   43    48    53    57   0.54000  1.0 3.0
   44    43    48    49   0.00000  1.0 1.0
   44    43    48    50   0.00000  1.0 1.0
   44    43    48    53   0.30150 -1.0 2.0
   48    53    57    61  -0.25900  1.0 1.0
   48    53    57    61  -0.47000 -1.0 2.0
   48    53    57    61   0.11750  1.0 3.0
   49    48    53    33   0.15000  1.0 3.0
   49    48    53    54   0.15000  1.0 3.0
   49    48    53    57   0.23400  1.0 3.0
   50    48    53    33   0.15000  1.0 3.0
   50    48    53    54   0.15000  1.0 3.0
   50    48    53    57   0.23400  1.0 3.0
   53    33    37    38   0.15000  1.0 3.0
   53    33   -37    43  -0.95700  1.0 1.0
   53    33   -37    43  -0.18200 -1.0 2.0
   53    33   -37    43   0.29450  1.0 3.0
   53    33    37    45   0.56750  1.0 1.0
   53    33    37    45  -0.07550 -1.0 2.0
   53    33    37    45   0.20000  1.0 3.0
   53    33    39    40   0.15000  1.0 3.0
   53    33    39    41   0.15000  1.0 3.0
   53    33    39    42   0.15000  1.0 3.0
   53    57    61    62   3.00000 -1.0 2.0
   53    57    61    67   1.63150  1.0 1.0
   53    57    61    67   2.92000 -1.0 2.0
   54    53    57    61   0.08050  1.0 3.0
   57    61    67    68   0.00000  1.0 1.0
   57    61    67    69   0.36750  1.0 3.0
   57    61    67    71   0.36750  1.0 3.0
   61    67    69    70   0.15000  1.0 3.0
   61    67   -69    71  -0.95700  1.0 1.0
   61    67   -69    71  -0.18200 -1.0 2.0
   61    67   -69    71   0.29450  1.0 3.0
   61    67    69    72  -0.98800  1.0 1.0
   61    67    69    72   0.48800 -1.0 2.0
   61    67    69    72   0.76800  1.0 3.0
   61    67   -71    69  -0.95700  1.0 1.0
   61    67   -71    69  -0.18200 -1.0 2.0
   61    67   -71    69   0.29450  1.0 3.0
   61    67    71    74  -0.95700  1.0 1.0
   61    67    71    74  -0.18200 -1.0 2.0
   61    67    71    74   0.29450  1.0 3.0
   61    67    71    78  -0.95700  1.0 1.0
   61    67    71    78  -0.18200 -1.0 2.0
   61    67    71    78   0.29450  1.0 3.0
   62    61    67    68   0.50000  1.0 3.0
   62    61    67    69   0.30150 -1.0 2.0
   62    61    67    71   0.30150 -1.0 2.0
   67    69   -71    74   0.07850  1.0 1.0
   67    69   -71    74  -0.03950 -1.0 2.0
   67    69   -71    74   0.67350  1.0 3.0
   67    69   -71    78   0.07850  1.0 1.0
   67    69   -71    78  -0.03950 -1.0 2.0
   67    69   -71    78   0.67350  1.0 3.0
   67    69    72    73   0.00000  1.0 1.0
   67    69    72    82   0.09850  1.0 1.0
   67    69    72    82   0.15250 -1.0 2.0
   67    69    72    82  -0.50650  1.0 3.0
   67    71    74    75   0.15000  1.0 3.0
   67    71    74    76   0.15000  1.0 3.0
   67    71    74    77   0.15000  1.0 3.0
   67    71    78    79   0.15000  1.0 3.0
   67    71    78    80   0.15000  1.0 3.0
   67    71    78    81   0.15000  1.0 3.0
   68    67    69    70   0.15000  1.0 3.0
   68    67   -69    71   0.15000  1.0 3.0
   68    67    69    72   0.15000  1.0 3.0
   68    67   -71    69   0.15000  1.0 3.0
   68    67    71    74   0.15000  1.0 3.0
   68    67    71    78   0.15000  1.0 3.0
   69    67   -71    74   0.07850  1.0 1.0
   69    67   -71    74  -0.03950 -1.0 2.0
   69    67   -71    74   0.67350  1.0 3.0
   69    67   -71    78   0.07850  1.0 1.0
   69    67   -71    78  -0.03950 -1.0 2.0
   69    67   -71    78   0.67350  1.0 3.0
   69    71    74    75   0.15000  1.0 3.0
   69    71    74    76   0.15000  1.0 3.0
   69    71    74    77   0.15000  1.0 3.0
   69    71    78    79   0.15000  1.0 3.0
   69    71    78    80   0.15000  1.0 3.0
   69    71    78    81   0.15000  1.0 3.0
   69    72    82    83   7.00000 -1.0 2.0
   69    72    82    87   7.00000 -1.0 2.0
   70    69   -71    67   0.15000  1.0 3.0
   70    69    71    74   0.15000  1.0 3.0
   70    69    71    78   0.15000  1.0 3.0
   70    69    72    73   0.33100  1.0 3.0
   70    69    72    82   0.00000  1.0 1.0
   71    67   -69    70   0.15000  1.0 3.0
   71    67   -69    72   0.34400  1.0 1.0
   71    67   -69    72   0.09450 -1.0 2.0
   71    67   -69    72   0.11100  1.0 3.0
   71    69    72    73   0.00000  1.0 1.0
   71    69    72    82   0.09850  1.0 1.0
   71    69    72    82   0.15250 -1.0 2.0
   71    69    72    82  -0.50650  1.0 3.0
   74    71    78    79   0.15000  1.0 3.0
   74    71    78    80   0.15000  1.0 3.0
   74    71    78    81   0.15000  1.0 3.0
   78    71    74    75   0.15000  1.0 3.0
   78    71    74    76   0.15000  1.0 3.0
   78    71    74    77   0.15000  1.0 3.0
   72    69   -71    67   0.34400  1.0 1.0
   72    69   -71    67   0.09450 -1.0 2.0
   72    69   -71    67   0.11100  1.0 3.0
   72    69    71    74   0.34400  1.0 1.0
   72    69    71    74   0.09450 -1.0 2.0
   72    69    71    74   0.11100  1.0 3.0
   72    69    71    78   0.34400  1.0 1.0
   72    69    71    78   0.09450 -1.0 2.0
   72    69    71    78   0.11100  1.0 3.0
   72    82    83    84   0.00000  1.0 1.0
   72    82    83    85   0.00000  1.0 1.0
   72    82    83    86   0.00000  1.0 1.0
   72    82    87    88   0.00000  1.0 1.0
   72    82    87    89   0.00000  1.0 1.0
   72    82    87    90   0.00000  1.0 1.0
   73    72    82    83   7.00000 -1.0 2.0
   73    72    82    87   7.00000 -1.0 2.0
   83    82    87    88   0.34800  1.0 3.0
   83    82    87    89   0.34800  1.0 3.0
   83    82    87    90   0.34800  1.0 3.0
   87    82    83    84   0.34800  1.0 3.0
   87    82    83    85   0.34800  1.0 3.0
   87    82    83    86   0.34800  1.0 3.0
   45    37    43    44   0.30150 -1.0 2.0
   45    37    43    48   0.60050  1.0 1.0
   45    37    43    48   0.05600 -1.0 2.0
   45    37    43    48   0.26150  1.0 3.0
   45    51    55    56   7.00000 -1.0 2.0
   45    51    55    58   7.00000 -1.0 2.0
   46    45    51    52   0.33100  1.0 3.0
   46    45    51    55   0.00000  1.0 1.0
   47    45    51    52   0.33100  1.0 3.0
   47    45    51    55   0.00000  1.0 1.0
   51    55    58    59   0.00000  1.0 1.0
   51    55    58    60   0.00000  1.0 1.0
   51    55    58    63   0.09850  1.0 1.0
   51    55    58    63   0.15250 -1.0 2.0
   51    55    58    63  -0.50650  1.0 3.0
   52    51    55    56   7.00000 -1.0 2.0
   52    51    55    58   7.00000 -1.0 2.0
   55    58    63    64   0.15000  1.0 3.0
   55    58    63    65   0.15000  1.0 3.0
   55    58    63    66   0.15000  1.0 3.0
   56    55    58    59   0.33100  1.0 3.0
   56    55    58    60   0.33100  1.0 3.0
   56    55    58    63   0.00000  1.0 1.0
   59    58    63    64   0.15000  1.0 3.0
   59    58    63    65   0.15000  1.0 3.0
   59    58    63    66   0.15000  1.0 3.0
   60    58    63    64   0.15000  1.0 3.0
   60    58    63    65   0.15000  1.0 3.0
   60    58    63    66   0.15000  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    43  -0.95700  1.0 1.0
   39    33    37    43  -0.18200 -1.0 2.0
   39    33    37    43   0.29450  1.0 3.0
   39    33    37    45   0.56750  1.0 1.0
   39    33    37    45  -0.07550 -1.0 2.0
   39    33    37    45   0.20000  1.0 3.0
   39    33    53    48   0.56750  1.0 1.0
   39    33    53    48  -0.07550 -1.0 2.0
   39    33    53    48   0.20000  1.0 3.0
   39    33    53    54   0.15000  1.0 3.0
   39    33    53    57   0.62750  1.0 1.0
   39    33    53    57  -0.30950 -1.0 2.0
   39    33    53    57   0.27300  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
   36    30    34    35  10.50000 -1.0 2.0
   37    48    43    44  10.50000 -1.0 2.0
   57    67    61    62  10.50000 -1.0 2.0
   69    73    72    82  15.00000 -1.0 2.0
   83    87    82    72  15.00000 -1.0 2.0
   45    52    51    55  15.00000 -1.0 2.0
   58    56    55    51  15.00000 -1.0 2.0
END
