* LIGAND DATABASE FILE (OPLS2005)
*
001      98   105    193    347     593
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02113   104.26238     6.64458
    3     1 S   H    _H1_     3     1.02088    44.03258   108.94928
    4     1 S   H    _H2_     4     1.02127    69.03856   -98.23402
    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     1.08491   110.56590    58.77998
   26    24 S   HC   HB22    34     1.08612   109.94660   179.13182
   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   _C31    36     1.84490    97.42837  -158.12426
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CT   _C22    37     1.58083   119.69836    79.96472
   38    37 S   HC   _H46    38     1.10675   103.61261  -127.48560
   39    33 S   CT   _C26    87     1.57386   111.08832  -148.51401
   40    39 S   HC   _H50    88     1.09890   109.83740    59.04680
   41    33 S   OH   _O42    97     1.45109   103.59087   -35.65401
   42    41 S   HO   _H64    98     0.96244   105.08340   -53.94201
   43    37 S   CO4  _C19    39     1.53413   119.79570   -16.44663
   44    43 S   O    _O36    40     1.22440   123.50579    -4.36466
   45    43 S   CA   _C11    41     1.48689   116.35234   179.62727
   46    45 S   CA   _C9_    42     1.39840   120.79915    -8.16409
   47    46 S   CA   _C5_    43     1.39982   120.13369   177.02612
   48    47 S   HA   _H43    44     1.08712   120.82933   179.73312
   49    46 S   CO4  _C18    55     1.48261   120.54343    -4.78348
   50    49 S   O    _O35    56     1.22603   119.55442   163.81273
   51    47 S   CA   _C13    45     1.39466   119.87257     0.63025
   52    37 S   CT   _C30    57     1.56354   115.46882   118.77327
   53    51 S   CA   _C7_    46     1.39417   120.07611     0.00000
   54    53 S   HA   _H45    47     1.08777   119.91336   179.96044
   55    51 S   CT   _C33    51     1.49113   119.95515   179.75611
   56    55 S   HC   _H56    52     1.09717   110.38225    90.01646
   57    55 S   HC   _H57    53     1.09787   111.28300  -149.53164
   58    55 S   HC   _H58    54     1.09752   111.28223   -30.56330
   59    52 S   CT   _C23    58     1.59120   116.88421   -81.49222
   60    59 S   HC   _H47    59     1.09576   112.69775   -99.75677
   61    52 S   CT   _C25    83     1.57652   111.92615    38.81588
   62    61 S   HC   _H49    84     1.09435   114.20487   128.16409
   63    45 S   CA   _C15    48     1.39979   119.46145   169.74217
   64    59 S   CM   _C21    60     1.51358   115.56952    29.52576
   65    61 S   CT   _C28    85     1.51784   115.34355    -2.43960
   66    65 S   HC   _H52    86     1.09264   111.79281    66.19525
   67    59 S   CT   _C27    91     1.53762   103.83999   141.11524
   68    67 S   HC   _H51    92     1.09693   114.03738  -162.21281
   69    63 S   OH   _O38    49     1.36389   123.00394     1.91510
   70    69 S   HO   _H60    50     0.96981   110.08529     0.64831
   71    64 S   CM   _C20    61     1.35110   118.81158    63.07600
   72    65 S   OH   _O41    89     1.42169   110.71640  -174.55723
   73    72 S   HO   _H63    90     0.97024   106.71868   179.96574
   74    67 S   OH   _O40    93     1.42003   110.86284    76.07552
   75    74 S   HO   _H62    94     0.97070   106.84448    59.93547
   76    64 S   OH   _O39    95     1.37369   114.09344  -121.96764
   77    76 S   HO   _H61    96     0.96475   110.16548  -174.45825
   78    71 S   CO4  _C16    62     1.49065   120.46723   172.14057
   79    78 S   O    _O33    63     1.22525   121.94201     1.16281
   80    78 S   CA   _C10    64     1.47476   117.32086  -177.93872
   81    80 S   CA   _C8_    65     1.39335   121.30024    13.27431
   82    81 S   CA   _C4_    66     1.40021   120.25241   177.89476
   83    82 S   HA   _H42    67     1.08710   120.72447   179.91607
   84    81 S   CO4  _C17    78     1.47482   120.34545    -1.48438
   85    84 S   O    _O34    79     1.22836   118.50717   157.14833
   86    82 S   CA   _C12    68     1.39435   119.94699     0.46562
   87    71 S   CT   _C29    80     1.51953   118.24770    -8.87248
   88    86 S   CA   _C6_    69     1.39295   120.00255    -0.27268
   89    88 S   HA   _H44    70     1.08813   120.01165   179.77272
   90    86 S   CT   _C32    74     1.49162   120.01312   179.70064
   91    90 S   HC   _H53    75     1.09701   110.37514    90.00162
   92    90 S   HC   _H54    76     1.09755   111.28238  -149.46760
   93    90 S   HC   _H55    77     1.09794   111.25814   -30.45625
   94    87 S   CT   _C24    81     1.59087   110.98973    31.98474
   95    94 S   HC   _H48    82     1.09476   114.61985   134.07042
   96    80 S   CA   _C14    71     1.40167   119.15314  -168.53382
   97    96 S   OH   _O37    72     1.36352   122.80145     2.53806
   98    97 S   HO   _H59    73     0.96972   110.13778    -0.86003
  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  11   5   4   3
  20   2   1   1  22   9  21   9   5   1  11   4  12  12  12   4
  12   3   8  16   8   3   4   2   1   1  16   8  14   7   2  12
   9   4   9   5   1   1  12   3   1   4   1   3   1  10   4  12
  11  12   4   6   2   8   2   8   3   4   2   1   1   1   1   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    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    52    87    65    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    45    49    52    59    71    84    87    94    61    65    66    39    40    72    41    42  
   35    36  
   36  
    0  
   38    43    44    45    46    63    49    50    52    59    60    64    87    94    61    62    65    39    40    67    41    42  
   43    44    45    49    52    59    61    39    41  
   40    72    73    67    41    42    43    52    61    62    64    65    66    71    78    81    84    85    87    94    95  
   72    41    61    65    66    71    84    87    94  
   42    43    52    65    87  
    0  
   44    45    46    47    53    63    69    49    52    59    61  
   45    46    63    52  
   46    47    48    51    53    54    63    69    70    49    50    52  
   47    48    51    53    63    69    55    49    50    52    59    61  
   48    51    53    54    63    55    56    57    58    49    50    52  
   51    53    55    49  
   50    52    59    60    64    94    61    62    65    67    51    63  
   52    59    61  
   53    54    63    69    55    56    57    58  
   59    60    64    71    87    94    95    61    62    65    66    72    67    68    74    76  
   54    63    69    70    55    56    57    58  
   63    69    55  
   56    57    58    63  
   57    58  
   58  
    0  
   60    64    71    78    87    94    95    61    62    65    67    68    74    75    76    77  
   64    71    94    61    67    68    74    76  
   62    65    66    72    73    67    68    74    64    71    84    87    94    95  
   65    66    72    67    87    94    95  
   69    70  
   71    78    79    80    84    87    94    67    68    74    76    77  
   66    72    73    67    71    84    87    94    95  
   72    73    87    94  
   68    74    75    76    71    84    87    94    95  
   74    75    87    94    95  
   70  
    0  
   78    79    80    81    96    84    85    87    94    95    76    77  
   73    87    94  
    0  
   75    87    94    95  
   94  
   77    78    87  
    0  
   79    80    81    82    88    96    97    84    87    94  
   80    81    96    87  
   81    82    83    86    88    89    96    97    98    84    85    87  
   82    83    86    88    96    97    90    84    85    87    94  
   83    86    88    89    96    90    91    92    93    84    85    87  
   86    88    90    84  
   85    87    94    95    86    96  
   87    94  
   88    89    96    97    90    91    92    93  
   94    95  
   89    96    97    98    90    91    92    93  
   96    97    90  
   91    92    93    96  
   92    93  
   93  
    0  
   95  
    0  
   97    98  
   98  
    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   0.432500   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   1.3810   1.2100   0.008598240   0.268726247
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   42   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   43   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   46   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   47   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   48   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   49   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   51   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   52   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5000   0.0660  -0.065000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   65   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   78   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   80   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   81   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   82   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   83   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   84   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   85   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   86   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   87   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   88   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   89   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   90   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   97   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   98   0.5000   0.0300   0.435000   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    39   268.000  1.529
   33    41   320.000  1.410
   37    38   340.000  1.090
   37    43   317.000  1.522
   37    52   268.000  1.529
   43    44   570.000  1.229
   43    45   310.000  1.470
   45    46   469.000  1.400
   45    63   469.000  1.400
   46    47   469.000  1.400
   46    49   310.000  1.470
   47    48   367.000  1.080
   47    51   469.000  1.400
   51    53   469.000  1.400
   51    55   317.000  1.510
   53    54   367.000  1.080
   53    63   469.000  1.400
   63    69   450.000  1.364
   69    70   553.000  0.945
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   49    50   570.000  1.229
   49    52   317.000  1.522
   52    59   268.000  1.529
   52    61   268.000  1.529
   59    60   340.000  1.090
   59    64   317.000  1.510
   59    67   268.000  1.529
   64    71   549.000  1.340
   64    76   510.000  1.338
   71    78   320.000  1.462
   71    87   317.000  1.510
   78    79   570.000  1.229
   78    80   310.000  1.470
   80    81   469.000  1.400
   80    96   469.000  1.400
   81    82   469.000  1.400
   81    84   310.000  1.470
   82    83   367.000  1.080
   82    86   469.000  1.400
   86    88   469.000  1.400
   86    90   317.000  1.510
   88    89   367.000  1.080
   88    96   469.000  1.400
   96    97   450.000  1.364
   97    98   553.000  0.945
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   340.000  1.090
   84    85   570.000  1.229
   84    87   317.000  1.522
   87    94   268.000  1.529
   87    39   268.000  1.529
   94    95   340.000  1.090
   94    61   268.000  1.529
   94    67   268.000  1.529
   61    62   340.000  1.090
   61    65   268.000  1.529
   65    66   340.000  1.090
   65    39   268.000  1.529
   65    72   320.000  1.410
   39    40   340.000  1.090
   72    73   553.000  0.945
   67    68   340.000  1.090
   67    74   320.000  1.410
   74    75   553.000  0.945
   76    77   553.000  0.945
   41    42   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    39    75.00000  111.63000
   29    33    41    85.00000  114.68000
   33    37    38    37.50000  110.70000
   33    37    43    63.00000  111.10000
   33    37    52    58.35000  112.70000
   33    39    87    58.35000  112.70000
   33    39    65    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    41    42    55.00000  108.50000
   37    43    44    80.00000  120.40000
   37    43    45    65.00000  115.47100
   37    52    49    63.00000  111.10000
   37    52    59    58.35000  112.70000
   37    52    61    58.35000  112.70000
   43    37    38    35.00000  109.50000
   43    45    46    60.00000  119.52600
   43    45    63    60.00000  119.52600
   45    43    44    75.00000  123.78400
   45    46    47    63.00000  120.00000
   45    46    49    60.00000  119.52600
   45    63    53    63.00000  120.00000
   45    63    69    70.00000  120.00000
   46    47    48    35.00000  120.00000
   46    47    51    63.00000  120.00000
   46    49    50    75.00000  123.78400
   46    49    52    65.00000  115.47100
   47    51    53    63.00000  120.00000
   47    51    55    70.00000  120.00000
   51    47    48    35.00000  120.00000
   51    53    54    35.00000  120.00000
   51    53    63    63.00000  120.00000
   51    55    56    35.00000  109.50000
   51    55    57    35.00000  109.50000
   51    55    58    35.00000  109.50000
   53    63    69    70.00000  120.00000
   63    45    46    63.00000  120.00000
   63    53    54    35.00000  120.00000
   63    69    70    35.00000  113.00000
   55    51    53    70.00000  120.00000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   49    46    47    60.00000  119.52600
   49    52    59    63.00000  111.10000
   49    52    61    63.00000  111.10000
   52    37    38    37.50000  110.70000
   52    37    43    63.00000  111.10000
   52    49    50    80.00000  120.40000
   52    59    60    37.50000  110.70000
   52    59    64    70.00000  112.02700
   52    59    67    58.35000  112.70000
   52    61    94    58.35000  112.70000
   52    61    62    37.50000  110.70000
   52    61    65    58.35000  112.70000
   59    64    71    70.00000  124.00000
   59    64    76    90.00000  109.34000
   59    67    94    58.35000  112.70000
   59    67    68    37.50000  110.70000
   59    67    74    50.00000  109.50000
   64    59    60    35.00000  109.50000
   64    71    78    65.00000  118.96000
   64    71    87    70.00000  124.00000
   64    76    77    70.00000  107.45700
   71    78    79    80.00000  123.72100
   71    78    80    65.00000  117.02400
   71    87    84    70.00000  109.06800
   71    87    94    70.00000  112.02700
   71    87    39    70.00000  112.02700
   78    80    81    60.00000  119.52600
   78    80    96    60.00000  119.52600
   80    78    79    75.00000  123.78400
   80    81    82    63.00000  120.00000
   80    81    84    60.00000  119.52600
   80    96    88    63.00000  120.00000
   80    96    97    70.00000  120.00000
   81    82    83    35.00000  120.00000
   81    82    86    63.00000  120.00000
   81    84    85    75.00000  123.78400
   81    84    87    65.00000  115.47100
   82    86    88    63.00000  120.00000
   82    86    90    70.00000  120.00000
   86    82    83    35.00000  120.00000
   86    88    89    35.00000  120.00000
   86    88    96    63.00000  120.00000
   86    90    91    35.00000  109.50000
   86    90    92    35.00000  109.50000
   86    90    93    35.00000  109.50000
   88    96    97    70.00000  120.00000
   96    80    81    63.00000  120.00000
   96    88    89    35.00000  120.00000
   96    97    98    35.00000  113.00000
   90    86    88    70.00000  120.00000
   92    90    91    33.00000  107.80000
   93    90    91    33.00000  107.80000
   93    90    92    33.00000  107.80000
   84    81    82    60.00000  119.52600
   84    87    94    63.00000  111.10000
   84    87    39    63.00000  111.10000
   87    71    78    65.00000  116.34900
   87    84    85    80.00000  120.40000
   87    94    95    37.50000  110.70000
   87    94    61    58.35000  112.70000
   87    94    67    58.35000  112.70000
   87    39    65    58.35000  112.70000
   87    39    40    37.50000  110.70000
   94    61    62    37.50000  110.70000
   94    61    65    58.35000  112.70000
   94    67    68    37.50000  110.70000
   94    67    74    50.00000  109.50000
   61    52    59    58.35000  112.70000
   61    94    95    37.50000  110.70000
   61    65    66    37.50000  110.70000
   61    65    39    58.35000  112.70000
   61    65    72    50.00000  109.50000
   65    61    62    37.50000  110.70000
   65    39    40    37.50000  110.70000
   65    72    73    55.00000  108.50000
   39    33    37    58.35000  112.70000
   39    87    94    58.35000  112.70000
   39    65    66    37.50000  110.70000
   72    65    66    35.00000  109.50000
   72    65    39    50.00000  109.50000
   67    59    60    37.50000  110.70000
   67    59    64    70.00000  112.02700
   67    94    95    37.50000  110.70000
   67    94    61    58.35000  112.70000
   67    74    75    55.00000  108.50000
   74    67    68    35.00000  109.50000
   76    64    71    80.00000  121.38400
   41    33    37    50.00000  109.50000
   41    33    39    50.00000  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    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
   24    29    33    41   0.13850  1.0 1.0
   24    29    33    41  -1.34450 -1.0 2.0
   24    29    33    41   0.57400  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
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   66    65    72    73   0.19450  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    52   0.56750  1.0 1.0
   39    33   -37    52  -0.07550 -1.0 2.0
   39    33   -37    52   0.20000  1.0 3.0
   39    33    41    42  -0.11600  1.0 1.0
   39    33    41    42  -0.09450 -1.0 2.0
   39    33    41    42   0.21250  1.0 3.0
   39    87    94    95   0.15000  1.0 3.0
   39    87   -94    61   0.56750  1.0 1.0
   39    87   -94    61  -0.07550 -1.0 2.0
   39    87   -94    61   0.20000  1.0 3.0
   39    87    94    67   0.56750  1.0 1.0
   39    87    94    67  -0.07550 -1.0 2.0
   39    87    94    67   0.20000  1.0 3.0
   39    65    72    73  -0.11600  1.0 1.0
   39    65    72    73  -0.09450 -1.0 2.0
   39    65    72    73   0.21250  1.0 3.0
   72    65    39    33   0.86500  1.0 1.0
   72    65    39    33  -0.17500 -1.0 2.0
   72    65    39    33   0.20800  1.0 3.0
   72    65    39    87   0.86500  1.0 1.0
   72    65    39    87  -0.17500 -1.0 2.0
   72    65    39    87   0.20800  1.0 3.0
   72    65    39    40   0.23400  1.0 3.0
   67    59   -64    71   0.09850  1.0 1.0
   67    59   -64    71   0.15250 -1.0 2.0
   67    59   -64    71  -0.50650  1.0 3.0
   67    59    64    76   0.09700  1.0 1.0
   67    59    64    76   0.15600 -1.0 2.0
   67    59    64    76  -0.50800  1.0 3.0
   67    94   -61    52   0.56750  1.0 1.0
   67    94   -61    52  -0.07550 -1.0 2.0
   67    94   -61    52   0.20000  1.0 3.0
   67    94    61    62   0.15000  1.0 3.0
   67    94    61    65   0.56750  1.0 1.0
   67    94    61    65  -0.07550 -1.0 2.0
   67    94    61    65   0.20000  1.0 3.0
   68    67    74    75   0.19450  1.0 3.0
   76    64    71    78   7.00000 -1.0 2.0
   76    64    71    87   7.00000 -1.0 2.0
   41    33    37    38   0.23400  1.0 3.0
   41    33    37    43  -0.09450  1.0 1.0
   41    33    37    43  -1.12950 -1.0 2.0
   41    33    37    43   0.54000  1.0 3.0
   41    33    37    52   0.86500  1.0 1.0
   41    33    37    52  -0.17500 -1.0 2.0
   41    33    37    52   0.20800  1.0 3.0
   41    33    39    87   0.86500  1.0 1.0
   41    33    39    87  -0.17500 -1.0 2.0
   41    33    39    87   0.20800  1.0 3.0
   41    33    39    65   0.86500  1.0 1.0
   41    33    39    65  -0.17500 -1.0 2.0
   41    33    39    65   0.20800  1.0 3.0
   41    33    39    40   0.23400  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    45    43    44  10.50000 -1.0 2.0
   46    63    45    43   4.00000 -1.0 2.0
   47    49    46    45   4.00000 -1.0 2.0
   51    48    47    46   1.10000 -1.0 2.0
   53    55    51    47   4.00000 -1.0 2.0
   63    54    53    51   1.10000 -1.0 2.0
   53    69    63    45   4.00000 -1.0 2.0
   46    52    49    50  10.50000 -1.0 2.0
   59    76    64    71   1.10000 -1.0 2.0
   78    87    71    64   1.10000 -1.0 2.0
   71    80    78    79  10.50000 -1.0 2.0
   81    96    80    78   4.00000 -1.0 2.0
   82    84    81    80   4.00000 -1.0 2.0
   86    83    82    81   1.10000 -1.0 2.0
   88    90    86    82   4.00000 -1.0 2.0
   96    89    88    86   1.10000 -1.0 2.0
   88    97    96    80   4.00000 -1.0 2.0
   81    87    84    85  10.50000 -1.0 2.0
END
