* LIGAND DATABASE FILE (OPLS2005)
*
001      89    90    162    247     480
    1     0 S   NP   _N1_     1    29.66044    96.07513   -16.66564
    2     1 S   H    _HN1     2     1.02773    59.90068   -80.43932
    3     1 S   H    _H1_     3     1.02961    96.47989    27.04211
    4     1 S   H    _H2_     4     1.02836    55.38247   133.25242
    5     1 S   CT   _CA1     5     1.50118   152.88397  -160.61305
    6     5 S   HC   _HA1     6     1.09559   105.29711     5.66202
    7     5 S   CO3  _C1_     7     1.53879   112.33780  -114.76849
    8     7 S   O2Z  _O11     8     1.26363   114.98005   -42.07255
    9     7 S   O2Z  _O12     9     1.26230   114.97003   137.15231
   10     5 S   CT   _CB1    10     1.53087   107.45122   123.84047
   11    10 S   HC   HB11    11     1.09817   109.66293   -48.22635
   12    10 S   HC   HB12    12     1.09820   110.24159    68.38991
   13    10 S   CT   _CG1    13     1.53012   112.63198  -169.27391
   14    13 S   HC   HG11    14     1.09531   110.40641   -57.23388
   15    13 S   HC   HG12    15     1.09615   110.18321    61.90616
   16    13 S   C    _CD1    16     1.51781   112.05500  -177.78760
   17    16 S   O    _OE1    17     1.22726   123.14780   -13.34438
   18    16 S   N    _N2_    18     1.38576   111.69980   166.98669
   19    18 S   H    _HN2    19     1.01586   119.02915     2.20158
   20    18 S   CT1  _CA2    20     1.46301   123.44993  -176.14684
   21    20 S   HC   _HA2    21     1.09727   109.43384   -15.48520
   22    20 S   C    _C2_    22     1.53372   108.26071  -131.35102
   23    22 S   O    _O2_    23     1.23002   122.29977  -145.16275
   24    20 S   CT   _CB2    32     1.53602   110.98671   106.64336
   25    24 S   HC   HB21    33     1.09238   108.95416    55.83746
   26    24 S   HC   HB22    34     1.09512   110.59682   173.75750
   27    22 S   N    _N3_    24     1.38527   113.29061    42.14829
   28    27 S   H    _HN3    25     1.01534   118.89551    -0.54249
   29    24 S   S    _SG2    35     1.83005   111.17614   -67.47706
   30    27 S   CT   _CA3    26     1.45450   123.44464   175.15313
   31    30 S   HC   HA31    27     1.09523   109.23987    24.30415
   32    30 S   HC   HA32    28     1.09495   107.12013   141.30545
   33    29 S   CT   _C19    36     1.88274   103.24763   144.47087
   34    30 S   CO3  _C3_    29     1.52925   113.11601   -99.17739
   35    34 S   O2Z  _O31    30     1.26402   115.40231   -44.54608
   36    34 S   O2Z  _O32    31     1.26355   114.98479   136.39480
   37    33 S   CT   _C14    37     1.57313   108.34608   -68.52326
   38    37 S   HC   _H37    38     1.09893   108.72342   169.30693
   39    37 S   HC   _H38    39     1.09664   109.12307    56.83904
   40    33 S   CT   _C18    59     1.57683   104.73319   170.35810
   41    40 S   HC   _H42    60     1.09181   107.01281    53.63134
   42    33 S   CT   _C23    85     1.55186   110.27983    49.48652
   43    42 S   HC   _H51    86     1.09449   111.78320   -64.22942
   44    42 S   HC   _H52    87     1.09534   110.01677   178.21644
   45    37 S   CT   _C12    40     1.54786   119.00844   -65.78574
   46    45 S   HC   _H33    41     1.09734   108.20320   161.01154
   47    45 S   HC   _H34    42     1.09072   110.57564    45.22566
   48    40 S   OH   _O24    61     1.43341   111.47559   -60.64853
   49    48 S   HO   _H53    62     0.97134   108.21114   171.84972
   50    42 S   OH   _O26    88     1.41975   113.08314    57.75313
   51    50 S   HO   _H55    89     0.97206   107.29632   176.78850
   52    45 S   CM   _C4_    43     1.50171   111.46351   -81.63488
   53    52 S   HC   _H29    44     1.08961   113.77332   -56.37030
   54    52 S   CM   _C5_    45     1.34599   128.29290   117.21642
   55    54 S   CT   _C13    46     1.51648   120.05291  -165.68517
   56    55 S   HC   _H35    47     1.09839   108.08521  -179.85329
   57    55 S   HC   _H36    48     1.09725   108.30337   -65.65688
   58    54 S   CT   _C20    81     1.50498   124.98469    10.91582
   59    58 S   HC   _H43    82     1.09543   109.74317   123.18118
   60    58 S   HC   _H44    83     1.09159   113.61904     3.57610
   61    58 S   HC   _H45    84     1.09474   110.46030  -117.62109
   62    55 S   CT   _C17    49     1.55738   116.95328    59.69456
   63    62 S   HC   _H41    50     1.09839   105.97489   159.09456
   64    62 S   CT   _C15    51     1.56058   115.63325    39.37451
   65    64 S   HC   _H39    52     1.09710   108.43885    40.54617
   66    62 S   OS   _O27    66     1.44752   109.94501   -84.59363
   67    64 S   CM   _C6_    53     1.49507   112.46506   160.02818
   68    66 S   CO4  _C11    67     1.35883   118.44870   -82.24972
   69    68 S   O    _O22    68     1.22208   125.89702     0.64559
   70    67 S   CO4  _C7_    54     1.47026   110.96390   119.92360
   71    70 S   O    _O21    55     1.21788   126.88581  -177.42078
   72    67 S   CM   _C8_    63     1.33706   127.96930   -62.11509
   73    72 S   HC   _H30    64     1.08497   120.96506     0.75121
   74    72 S   HC   _H31    65     1.08532   121.84524  -178.97188
   75    68 S   CM   _C10    69     1.49699   109.20833  -179.62832
   76    70 S   OS   _O23    56     1.35547   107.54847     2.85992
   77    75 S   CM   _C9_    70     1.34674   115.93150  -168.57564
   78    77 S   HC   _H32    71     1.08970   119.17462     0.46688
   79    75 S   CT   _C21    77     1.50114   118.10866    12.29512
   80    79 S   HC   _H46    78     1.09521   110.35437   -68.60149
   81    79 S   HC   _H47    79     1.09186   113.37506   170.70927
   82    79 S   HC   _H48    80     1.09576   110.40517    51.34224
   83    64 S   CT   _C16    57     1.54677   115.02239   -84.96441
   84    83 S   HC   _H40    58     1.08814   110.72800    -4.77528
   85    77 S   CT   _C22    72     1.49583   127.69970   179.35381
   86    85 S   HC   _H49    73     1.09108   113.92098    -0.84093
   87    85 S   HC   _H50    74     1.09481   109.37444  -122.02125
   88    85 S   OH   _O25    75     1.42095   108.37422   119.95502
   89    88 S   HO   _H54    76     0.97230   107.04336   177.68742
  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
  20   2   1   1  16   7   6  16   7   7   3   2   7   4   3   5
   1   1   1  10   3  11  14   6   5   4   2   1   1  13   6  12
   7   7   8   9   3   7   3   4   1   1  10   2  10   5   4   2
   1   1   1   1   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    45    83    40    41    48    42    43    44    50  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    45    46    47    52    64    76    83    84    40    41    48    49    42    43    44    50    51  
   35    36  
   36  
    0  
   38    39    45    46    47    52    53    54    83    40    41    48    42    43    44    50  
   39    45    46    47    52    40    42  
   45    46    47    52    40    42  
   41    48    49    42    43    44    50    45    62    64    65    67    70    76    83    84  
   48    49    42    64    76    83    84  
   43    44    50    51    45    48    83  
   44    50    51  
   50    51  
   46    47    52    53    54    55    58  
   47    52    53    54  
   52    53    54  
   49    64    76    83    84  
   83  
   51  
    0  
   53    54    55    56    57    62    58    59    60    61  
   54    55    58  
   55    56    57    62    63    64    66    58    59    60    61  
   56    57    62    63    64    65    67    83    66    68    58    59    60    61  
   57    62    63    64    66    58  
   62    63    64    66    58  
   59    60    61    62  
   60    61  
   61  
    0  
   63    64    65    67    70    76    83    84    72    66    68    69    75  
   64    65    67    83    66    68  
   65    67    70    71    76    83    84    72    73    74    66    68  
   67    70    76    83    84    72    66  
   68    69    75    77    79    67    83  
   70    71    76    83    84    72    73    74  
   69    75    77    78    85    79    80    81    82  
   75    77    79  
   71    76    83    84    72    73    74  
   76    83    72  
   73    74    76    83  
   74  
    0  
   77    78    85    86    87    88    79    80    81    82  
   83    84  
   78    85    86    87    88    89    79    80    81    82  
   85    86    87    88    79  
   80    81    82    85  
   81    82  
   82  
    0  
   84  
    0  
   86    87    88    89  
   87    88    89  
   88    89  
   89  
    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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   51   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   64   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   68   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   76   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   77   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   78   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   85   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   89   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    40   268.000  1.529
   33    42   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    45   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    52   317.000  1.510
   52    53   340.000  1.080
   52    54   549.000  1.340
   54    55   317.000  1.510
   54    58   317.000  1.510
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    62   268.000  1.529
   62    63   340.000  1.090
   62    64   268.000  1.529
   62    66   320.000  1.410
   64    65   340.000  1.090
   64    67   317.000  1.510
   64    83   268.000  1.529
   67    70   320.000  1.462
   67    72   549.000  1.340
   70    71   570.000  1.229
   70    76   214.000  1.327
   76    83   320.000  1.410
   83    84   340.000  1.090
   83    40   268.000  1.529
   40    41   340.000  1.090
   40    48   320.000  1.410
   48    49   553.000  0.945
   72    73   340.000  1.080
   72    74   340.000  1.080
   66    68   214.000  1.327
   68    69   570.000  1.229
   68    75   320.000  1.462
   75    77   549.000  1.340
   75    79   317.000  1.510
   77    78   340.000  1.080
   77    85   317.000  1.510
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    88   320.000  1.410
   88    89   553.000  0.945
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    50   320.000  1.410
   50    51   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    40    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    45    58.35000  112.70000
   33    40    83    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    48    50.00000  109.50000
   33    42    43    37.50000  110.70000
   33    42    44    37.50000  110.70000
   33    42    50    50.00000  109.50000
   37    45    46    37.50000  110.70000
   37    45    47    37.50000  110.70000
   37    45    52    70.00000  112.02700
   39    37    38    33.00000  107.80000
   45    37    38    37.50000  110.70000
   45    37    39    37.50000  110.70000
   45    52    53    35.00000  117.00000
   45    52    54    70.00000  124.00000
   47    45    46    33.00000  107.80000
   52    45    46    35.00000  109.50000
   52    45    47    35.00000  109.50000
   52    54    55    70.00000  124.00000
   52    54    58    70.00000  124.00000
   54    52    53    35.00000  120.00000
   54    55    56    35.00000  109.50000
   54    55    57    35.00000  109.50000
   54    55    62    70.00000  112.02700
   54    58    59    35.00000  109.50000
   54    58    60    35.00000  109.50000
   54    58    61    35.00000  109.50000
   55    62    63    37.50000  110.70000
   55    62    64    58.35000  112.70000
   55    62    66    50.00000  109.50000
   57    55    56    33.00000  107.80000
   62    55    56    37.50000  110.70000
   62    55    57    37.50000  110.70000
   62    64    65    37.50000  110.70000
   62    64    67    70.00000  112.02700
   62    64    83    58.35000  112.70000
   62    66    68    83.00000  116.90000
   64    62    63    37.50000  110.70000
   64    67    70    65.00000  116.34900
   64    67    72    70.00000  124.00000
   64    83    76    50.00000  109.50000
   64    83    84    37.50000  110.70000
   64    83    40    58.35000  112.70000
   67    64    65    35.00000  109.50000
   67    70    71    80.00000  123.72100
   67    70    76    90.00000  111.29400
   67    72    73    35.00000  120.00000
   67    72    74    35.00000  120.00000
   70    76    83    83.00000  116.90000
   76    70    71    83.00000  123.40000
   76    83    84    35.00000  109.50000
   76    83    40    50.00000  109.50000
   83    64    65    37.50000  110.70000
   83    64    67    70.00000  112.02700
   83    40    41    37.50000  110.70000
   83    40    48    50.00000  109.50000
   40    33    37    58.35000  112.70000
   40    83    84    37.50000  110.70000
   40    48    49    55.00000  108.50000
   48    40    41    35.00000  109.50000
   72    67    70    65.00000  118.96000
   74    72    73    35.00000  117.00000
   66    62    63    35.00000  109.50000
   66    62    64    50.00000  109.50000
   66    68    69    83.00000  123.40000
   66    68    75    90.00000  111.29400
   68    75    77    65.00000  118.96000
   68    75    79    65.00000  116.34900
   75    68    69    80.00000  123.72100
   75    77    78    35.00000  120.00000
   75    77    85    70.00000  124.00000
   75    79    80    35.00000  109.50000
   75    79    81    35.00000  109.50000
   75    79    82    35.00000  109.50000
   77    85    86    35.00000  109.50000
   77    85    87    35.00000  109.50000
   77    85    88    90.00000  110.39200
   85    77    78    35.00000  117.00000
   85    88    89    55.00000  108.50000
   87    85    86    33.00000  107.80000
   88    85    86    35.00000  109.50000
   88    85    87    35.00000  109.50000
   79    75    77    70.00000  124.00000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   58    54    55    65.00000  117.92700
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   42    33    37    58.35000  112.70000
   42    33    40    58.35000  112.70000
   42    50    51    55.00000  108.50000
   44    42    43    33.00000  107.80000
   50    42    43    35.00000  109.50000
   50    42    44    35.00000  109.50000
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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   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    39   0.15000  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    40    83   0.44750  1.0 1.0
   29    33    40    83  -0.17800 -1.0 2.0
   29    33    40    83   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    48   0.56750  1.0 1.0
   29    33    40    48  -0.07550 -1.0 2.0
   29    33    40    48   0.20000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.15000  1.0 3.0
   29    33    42    50   0.56750  1.0 1.0
   29    33    42    50  -0.07550 -1.0 2.0
   29    33    42    50   0.20000  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    52   0.34400  1.0 1.0
   33    37    45    52   0.09450 -1.0 2.0
   33    37    45    52   0.11100  1.0 3.0
   33    40    48    49  -0.11600  1.0 1.0
   33    40    48    49  -0.09450 -1.0 2.0
   33    40    48    49   0.21250  1.0 3.0
   33    42    50    51  -0.11600  1.0 1.0
   33    42    50    51  -0.09450 -1.0 2.0
   33    42    50    51   0.21250  1.0 3.0
   37    33    40    83   0.56750  1.0 1.0
   37    33    40    83  -0.07550 -1.0 2.0
   37    33    40    83   0.20000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    48   0.86500  1.0 1.0
   37    33    40    48  -0.17500 -1.0 2.0
   37    33    40    48   0.20800  1.0 3.0
   37    33    42    43   0.15000  1.0 3.0
   37    33    42    44   0.15000  1.0 3.0
   37    33    42    50   0.86500  1.0 1.0
   37    33    42    50  -0.17500 -1.0 2.0
   37    33    42    50   0.20800  1.0 3.0
   37    45    52    53   0.00000  1.0 1.0
   37    45    52    54   0.09850  1.0 1.0
   37    45    52    54   0.15250 -1.0 2.0
   37    45    52    54  -0.50650  1.0 3.0
   38    37    45    46   0.15000  1.0 3.0
   38    37    45    47   0.15000  1.0 3.0
   38    37    45    52   0.15000  1.0 3.0
   39    37    45    46   0.15000  1.0 3.0
   39    37    45    47   0.15000  1.0 3.0
   39    37    45    52   0.15000  1.0 3.0
   45    52    54    55   7.00000 -1.0 2.0
   45    52    54    58   7.00000 -1.0 2.0
   46    45    52    53   0.33100  1.0 3.0
   46    45    52    54   0.00000  1.0 1.0
   47    45    52    53   0.33100  1.0 3.0
   47    45    52    54   0.00000  1.0 1.0
   52    54    55    56   0.00000  1.0 1.0
   52    54    55    57   0.00000  1.0 1.0
   52    54    55    62   0.09850  1.0 1.0
   52    54    55    62   0.15250 -1.0 2.0
   52    54    55    62  -0.50650  1.0 3.0
   52    54    58    59   0.00000  1.0 1.0
   52    54    58    60   0.00000  1.0 1.0
   52    54    58    61   0.00000  1.0 1.0
   53    52    54    55   7.00000 -1.0 2.0
   53    52    54    58   7.00000 -1.0 2.0
   54    55    62    63   0.15000  1.0 3.0
   54    55    62    64   0.34400  1.0 1.0
   54    55    62    64   0.09450 -1.0 2.0
   54    55    62    64   0.11100  1.0 3.0
   54    55    62    66   0.61850  1.0 1.0
   54    55    62    66  -0.22750 -1.0 2.0
   54    55    62    66   0.15300  1.0 3.0
   55    54    58    59   0.34800  1.0 3.0
   55    54    58    60   0.34800  1.0 3.0
   55    54    58    61   0.34800  1.0 3.0
   55    62    64    65   0.15000  1.0 3.0
   55    62    64    67   0.34400  1.0 1.0
   55    62    64    67   0.09450 -1.0 2.0
   55    62    64    67   0.11100  1.0 3.0
   55    62    64    83   0.56750  1.0 1.0
   55    62    64    83  -0.07550 -1.0 2.0
   55    62    64    83   0.20000  1.0 3.0
   55    62    66    68  -0.25900  1.0 1.0
   55    62    66    68  -0.47000 -1.0 2.0
   55    62    66    68   0.11750  1.0 3.0
   56    55    62    63   0.15000  1.0 3.0
   56    55    62    64   0.15000  1.0 3.0
   56    55    62    66   0.23400  1.0 3.0
   57    55    62    63   0.15000  1.0 3.0
   57    55    62    64   0.15000  1.0 3.0
   57    55    62    66   0.23400  1.0 3.0
   62    64    67    70   0.09700  1.0 1.0
   62    64    67    70   0.15600 -1.0 2.0
   62    64    67    70  -0.50800  1.0 3.0
   62    64    67    72   0.09850  1.0 1.0
   62    64    67    72   0.15250 -1.0 2.0
   62    64    67    72  -0.50650  1.0 3.0
   62    64    83    76   0.62750  1.0 1.0
   62    64    83    76  -0.30950 -1.0 2.0
   62    64    83    76   0.27300  1.0 3.0
   62    64    83    84   0.15000  1.0 3.0
   62    64    83    40   0.56750  1.0 1.0
   62    64    83    40  -0.07550 -1.0 2.0
   62    64    83    40   0.20000  1.0 3.0
   62    66    68    69   3.00000 -1.0 2.0
   62    66    68    75   2.00000 -1.0 2.0
   63    62    64    65   0.15000  1.0 3.0
   63    62    64    67   0.15000  1.0 3.0
   63    62    64    83   0.15000  1.0 3.0
   63    62    66    68   0.08050  1.0 3.0
   64    62    66    68  -0.25900  1.0 1.0
   64    62    66    68  -0.47000 -1.0 2.0
   64    62    66    68   0.11750  1.0 3.0
   64    67    70    71  -0.64400  1.0 1.0
   64    67    70    71   0.26850 -1.0 2.0
   64    67   -70    76  -0.15000  1.0 1.0
   64    67   -70    76   0.89550 -1.0 2.0
   64    67   -70    76  -0.06900  1.0 3.0
   64    67    72    73   7.00000 -1.0 2.0
   64    67    72    74   7.00000 -1.0 2.0
   64    83    40    33   0.56750  1.0 1.0
   64    83    40    33  -0.07550 -1.0 2.0
   64    83    40    33   0.20000  1.0 3.0
   64    83    40    41   0.15000  1.0 3.0
   64    83    40    48   0.86500  1.0 1.0
   64    83    40    48  -0.17500 -1.0 2.0
   64    83    40    48   0.20800  1.0 3.0
   65    64    67    70   0.15000  1.0 3.0
   65    64    67    72   0.00000  1.0 1.0
   65    64    83    76   0.23400  1.0 3.0
   65    64    83    84   0.15000  1.0 3.0
   65    64    83    40   0.15000  1.0 3.0
   67    64   -83    76   0.61850  1.0 1.0
   67    64   -83    76  -0.22750 -1.0 2.0
   67    64   -83    76   0.15300  1.0 3.0
   67    64    83    84   0.15000  1.0 3.0
   67    64    83    40   0.34400  1.0 1.0
   67    64    83    40   0.09450 -1.0 2.0
   67    64    83    40   0.11100  1.0 3.0
   67    70   -76    83   2.00000 -1.0 2.0
   70    67    72    73   7.00000 -1.0 2.0
   70    67    72    74   7.00000 -1.0 2.0
   70    76   -83    64  -0.25900  1.0 1.0
   70    76   -83    64  -0.47000 -1.0 2.0
   70    76   -83    64   0.11750  1.0 3.0
   70    76    83    84   0.08050  1.0 3.0
   70    76    83    40  -0.25900  1.0 1.0
   70    76    83    40  -0.47000 -1.0 2.0
   70    76    83    40   0.11750  1.0 3.0
   71    70    76    83   3.00000 -1.0 2.0
   76    83    40    33   0.62750  1.0 1.0
   76    83    40    33  -0.30950 -1.0 2.0
   76    83    40    33   0.27300  1.0 3.0
   76    83    40    41   0.23400  1.0 3.0
   76    83    40    48   3.69350  1.0 1.0
   76    83    40    48  -1.82950 -1.0 2.0
   83    64   -67    70   0.09700  1.0 1.0
   83    64   -67    70   0.15600 -1.0 2.0
   83    64   -67    70  -0.50800  1.0 3.0
   83    64    67    72   0.09850  1.0 1.0
   83    64    67    72   0.15250 -1.0 2.0
   83    64    67    72  -0.50650  1.0 3.0
   83    40    48    49  -0.11600  1.0 1.0
   83    40    48    49  -0.09450 -1.0 2.0
   83    40    48    49   0.21250  1.0 3.0
   84    83    40    33   0.15000  1.0 3.0
   84    83    40    41   0.15000  1.0 3.0
   84    83    40    48   0.23400  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    45   0.56750  1.0 1.0
   40    33    37    45  -0.07550 -1.0 2.0
   40    33    37    45   0.20000  1.0 3.0
   40    33    42    43   0.15000  1.0 3.0
   40    33    42    44   0.15000  1.0 3.0
   40    33    42    50   0.86500  1.0 1.0
   40    33    42    50  -0.17500 -1.0 2.0
   40    33    42    50   0.20800  1.0 3.0
   41    40    48    49   0.19450  1.0 3.0
   72    67    70    71   1.00000 -1.0 2.0
   72    67    70    76  -0.56150  1.0 1.0
   72    67    70    76   2.19150 -1.0 2.0
   66    62    64    65   0.23400  1.0 3.0
   66    62    64    67   0.61850  1.0 1.0
   66    62    64    67  -0.22750 -1.0 2.0
   66    62    64    67   0.15300  1.0 3.0
   66    62    64    83   0.62750  1.0 1.0
   66    62    64    83  -0.30950 -1.0 2.0
   66    62    64    83   0.27300  1.0 3.0
   66    68    75    77  -0.56150  1.0 1.0
   66    68    75    77   2.19150 -1.0 2.0
   66    68    75    79  -0.15000  1.0 1.0
   66    68    75    79   0.89550 -1.0 2.0
   66    68    75    79  -0.06900  1.0 3.0
   68    75    77    78   7.00000 -1.0 2.0
   68    75    77    85   7.00000 -1.0 2.0
   68    75    79    80   0.15000  1.0 3.0
   68    75    79    81   0.15000  1.0 3.0
   68    75    79    82   0.15000  1.0 3.0
   69    68    75    77   1.00000 -1.0 2.0
   69    68    75    79  -0.64400  1.0 1.0
   69    68    75    79   0.26850 -1.0 2.0
   75    77    85    86   0.00000  1.0 1.0
   75    77    85    87   0.00000  1.0 1.0
   75    77    85    88   0.67800  1.0 1.0
   75    77    85    88   0.47050 -1.0 2.0
   75    77    85    88  -0.62500  1.0 3.0
   77    75    79    80   0.00000  1.0 1.0
   77    75    79    81   0.00000  1.0 1.0
   77    75    79    82   0.00000  1.0 1.0
   77    85    88    89  -0.07800  1.0 1.0
   77    85    88    89  -0.21500 -1.0 2.0
   77    85    88    89  -0.03150  1.0 3.0
   78    77    85    86   0.33100  1.0 3.0
   78    77    85    87   0.33100  1.0 3.0
   78    77    85    88   0.00000  1.0 1.0
   86    85    88    89   0.19450  1.0 3.0
   87    85    88    89   0.19450  1.0 3.0
   79    75    77    78   7.00000 -1.0 2.0
   79    75    77    85   7.00000 -1.0 2.0
   58    54    55    56   0.34800  1.0 3.0
   58    54    55    57   0.34800  1.0 3.0
   58    54    55    62   0.46850  1.0 1.0
   58    54    55    62   0.08550 -1.0 2.0
   58    54    55    62   0.09800  1.0 3.0
   42    33    37    38   0.15000  1.0 3.0
   42    33    37    39   0.15000  1.0 3.0
   42    33    37    45   0.56750  1.0 1.0
   42    33    37    45  -0.07550 -1.0 2.0
   42    33    37    45   0.20000  1.0 3.0
   42    33    40    83   0.56750  1.0 1.0
   42    33    40    83  -0.07550 -1.0 2.0
   42    33    40    83   0.20000  1.0 3.0
   42    33    40    41   0.15000  1.0 3.0
   42    33    40    48   0.86500  1.0 1.0
   42    33    40    48  -0.17500 -1.0 2.0
   42    33    40    48   0.20800  1.0 3.0
   43    42    50    51   0.19450  1.0 3.0
   44    42    50    51   0.19450  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
   45    53    52    54   1.10000 -1.0 2.0
   55    58    54    52   1.10000 -1.0 2.0
   64    70    67    72   1.10000 -1.0 2.0
   67    76    70    71  10.50000 -1.0 2.0
   73    74    72    67   1.10000 -1.0 2.0
   66    75    68    69  10.50000 -1.0 2.0
   68    79    75    77  15.00000 -1.0 2.0
   85    78    77    75  15.00000 -1.0 2.0
END
