* LIGAND DATABASE FILE (OPLS2005)
*
001     105   109    203    333     609
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02050    60.40504    81.00809
    3     1 S   H    _H1_     3     1.02142    51.82835  -122.73081
    4     1 S   H    _H2_     4     1.02079   106.38159   -21.58379
    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     1.08492   110.72926    58.61606
   26    24 S   HC   HB22    34     1.08426   110.08753   179.30423
   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   _C23    36     1.93177    94.66942  -158.09784
   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   _C16    37     1.54002   103.33343   -40.02356
   38    37 S   HC   _H49    38     1.09329   109.90869   179.53438
   39    33 S   CT   _C22    68     1.65007   109.66304    82.86605
   40    37 S   CO4  _C9_    39     1.52301   115.63947   -62.15134
   41    40 S   O    _O29    40     1.22976   121.56184   152.87004
   42    39 S   CT   _C29    69     1.56672   110.83546   -13.14867
   43    42 S   HC   _H63    70     1.07671   107.77580   -57.67231
   44    42 S   HC   _H64    71     1.07633   107.81700  -177.59482
   45    42 S   HC   _H65    72     1.07583   107.86820    62.33830
   46    37 S   OH   _O36   104     1.42084   111.43489    62.11135
   47    46 S   HO   _H69   105     0.97106   106.77959   171.70119
   48    40 S   OS   _O34    41     1.35472   117.63556   -31.02167
   49    48 S   CT   _C15    42     1.46279   125.62275    20.67460
   50    49 S   HC   _H48    43     1.09463   105.87019    90.20356
   51    49 S   C5BC _C7_    44     1.48843   109.27346  -158.71697
   52    33 S   CT   _C21    52     1.60040   106.98421  -152.73320
   53    51 S   C5BC _C4_    45     1.41492   127.05605    37.47672
   54    53 S   HA   _H39    46     1.08101   127.75027    -0.08156
   55    52 S   CT   _C14    53     1.57127   109.45097   -70.42407
   56    55 S   HC   _H46    54     1.09788   109.06162  -161.21657
   57    55 S   HC   _H47    55     1.09746   110.25741    84.62431
   58    52 S   CT   _C28   100     1.56878   113.42191   165.80361
   59    58 S   HC   _H60   101     1.07496   107.73681   -56.83181
   60    58 S   HC   _H61   102     1.07594   107.66299  -176.76790
   61    58 S   HC   _H62   103     1.07451   107.73803    63.29131
   62    53 S   C5A  _C5_    47     1.37528   106.13660  -180.00000
   63    62 S   HA   _H40    48     1.08004   133.81666   179.95577
   64    55 S   CT   _C13    56     1.54819   116.83527   -38.57086
   65    64 S   HC   _H44    57     1.09451   109.72212   105.98542
   66    64 S   HC   _H45    58     1.09580   108.59535  -138.60528
   67    62 S   OA   _O33    49     1.35853   110.55480     0.00000
   68    64 S   CT   _C17    59     1.51511   110.62888   -16.73643
   69    68 S   HC   _H50    60     1.08906   102.80749   -51.62929
   70    51 S   C5A  _C6_    50     1.37599   126.81213  -142.49637
   71    70 S   HA   _H41    51     1.08010   133.91116    -0.00000
   72    68 S   CT   _C20    61     1.55290   122.24826  -163.67961
   73    72 S   CT   _C18    62     1.57711   101.38418  -164.82933
   74    72 S   CM   _C11    85     1.51642   110.02982    75.43864
   75    74 S   HC   _H43    86     1.08688   116.05444     0.01978
   76    72 S   CT   _C27    96     1.54007   113.51290   -40.47387
   77    76 S   HC   _H57    97     1.08516   109.20622   -60.51909
   78    76 S   HC   _H58    98     1.08434   109.18306   179.52153
   79    76 S   HC   _H59    99     1.08435   109.18969    59.50307
   80    73 S   CO4  _C8_    63     1.51005   116.36900  -106.16112
   81    80 S   O    _O28    64     1.22570   124.28481   -80.61541
   82    73 S   OH   _O37    83     1.41360   112.97459   129.69351
   83    82 S   HO   _H70    84     0.97404   107.19407    69.21612
   84    74 S   CM   _C10    87     1.33994   123.32650  -179.98022
   85    84 S   HC   _H42    88     1.08539   121.34548  -179.98022
   86    80 S   CT   _C19    65     1.50735   111.90749   101.34383
   87    84 S   CO4  _C12    89     1.47806   119.96792     0.02798
   88    87 S   O    _O30    90     1.22090   125.44345   -60.01740
   89    86 S   OS   _O35    66     1.43382   102.61802    -4.66564
   90    86 S   CT   _C25    75     1.52286   111.39204   113.25648
   91    90 S   HC   _H51    76     1.08993   110.01984  -179.94065
   92    90 S   HC   _H52    77     1.09025   110.02561    60.02551
   93    90 S   HC   _H53    78     1.09093   110.00733   -59.98940
   94    86 S   CT   _C26    79     1.52084   111.66516  -120.87115
   95    94 S   HC   _H54    80     1.09077   110.16329   180.00000
   96    94 S   HC   _H55    81     1.09078   110.15292    59.93277
   97    94 S   HC   _H56    82     1.09165   110.08500   -60.03263
   98    87 S   OS   _O39    91     1.36055   107.65338   119.99618
   99    73 S   CO   _C24    67     1.56933   107.48865     4.26508
  100    98 S   CT   _C30    92     1.43136   115.49042  -179.95154
  101   100 S   HC   _H66    93     1.09275   109.47836   180.00000
  102   100 S   HC   _H67    94     1.09224   109.53085    59.13130
  103   100 S   HC   _H68    95     1.09229   108.90982   -60.45210
  104    99 S   OH   _O38    73     1.42107   110.59422   146.45335
  105   104 S   HO   _H71    74     0.97152   106.75315  -180.00000
  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
  31   2   1   1  14   7  26   8   3  12   4   3   2   3   1   8
  17   6  10  14   6   4  12   6   5   4   2   1   1   4   2   9
   4   3   2  15   5   1   1  18  18  13   4   7   2   1   1  15
   6   5   1   5   3  11   6   2  11   8   3   2   1   4   2   1
   1   4   2   3   2   1   1   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    52    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    49    52    55    68    99    39    42    58    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    41    48    49    50    51    52    55    56    57    64    68    69    72    73    89    99    39    42    43    44    45   104    58    59    60    61    46    47  
   35    36  
   36  
    0  
   38    40    41    48    49    52    55    68    99    39    42    58    46    47  
   40    41    48    52    39    46    47  
   42    43    44    45   104   105    82    74    76    58    46    40    49    52    55    64    65    66    68    69    72    73    80    86    89    99  
   41    48    49    50    51    52    46    47  
   48    49    46  
   43    44    45   104    52    64    68    69    72    73    89    99  
   44    45    68    99  
   45    68    99  
   68    99  
   47    48    52  
    0  
   49    50    51    53    70    52    55    58  
   50    51    53    54    62    67    70    71    52    55    56    57    64    58    59    60    61  
   51    53    70    52    55    58  
   53    54    62    63    67    70    71    52    55    58  
   55    56    57    64    65    66    68    99    58    59    60    61    53    70  
   54    62    63    67    70    71  
   62    63    67    70  
   56    57    64    65    66    68    69    72    58    59    60    61  
   57    64    65    66    68    58  
   64    65    66    68    58  
   59    60    61    64  
   60    61  
   61  
    0  
   63    67    70    71  
   67    70  
   65    66    68    69    72    73    99    74    76  
   66    68    69    72  
   68    69    72  
   70    71  
   69    72    73    80    89    99   104    82    74    75    84    76    77    78    79  
   72    73    99    74    76  
   71  
    0  
   73    80    81    86    89    99   104    82    83    74    75    84    85    87    76    77    78    79  
   80    81    86    89    99   104   105    90    94    82    83    74    75    84    76    77    78    79  
   75    84    85    87    88    98    76    77    78    79    80    82    99  
   84    85    87    76  
   77    78    79    80    82    84    99  
   78    79  
   79  
    0  
   81    86    89    99   104    90    91    92    93    94    95    96    97    82    83  
   86    89    99    90    94    82  
   83    86    89    99   104  
   99  
   85    87    88    98   100  
   87    88    98  
   89    99   104    90    91    92    93    94    95    96    97  
   88    98   100   101   102   103  
   98   100  
   99   104   105    90    91    92    93    94    95    96    97  
   91    92    93    94    95    96    97    99  
   92    93    94  
   93    94  
   94  
   95    96    97    99  
   96    97  
   97  
    0  
  100   101   102   103  
  104   105  
  101   102   103  
  102   103  
  103  
    0  
  105  
    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   0.205000   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.5000   0.0660   0.335000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   51   3.5500   0.0760  -0.143000   2.0020   1.7750   0.001000000  -0.843144165
   52   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   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   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   63   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
   68   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   73   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   74   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   82   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   84   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   85   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5000   0.0660   0.248000   1.9750   1.7500   0.005000000  -0.741685710
   87   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   88   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   89   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   90   3.5000   0.0660  -0.180000   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   99   3.5000   0.0660   0.364700   1.9750   1.7500   0.005000000  -0.741685710
  100   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
  101   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
  102   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
  103   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
  104   3.1200   0.1700  -0.582700   1.7660   1.5600   0.021068034  -0.322181743
  105   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    52   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    40   317.000  1.522
   37    46   320.000  1.410
   40    41   570.000  1.229
   40    48   214.000  1.327
   48    49   320.000  1.410
   49    50   340.000  1.090
   49    51   285.000  1.502
   49    52   268.000  1.529
   51    53   469.000  1.424
   51    70   546.000  1.367
   53    54   367.000  1.080
   53    62   546.000  1.367
   62    63   367.000  1.080
   62    67   340.000  1.360
   67    70   340.000  1.360
   70    71   367.000  1.080
   52    55   268.000  1.529
   52    58   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    68   268.000  1.529
   68    69   340.000  1.090
   68    72   268.000  1.529
   68    39   268.000  1.529
   72    73   268.000  1.529
   72    74   317.000  1.510
   72    76   268.000  1.529
   73    80   317.000  1.522
   73    99   250.000  1.527
   73    82   320.000  1.410
   80    81   570.000  1.229
   80    86   317.000  1.522
   86    89   320.000  1.410
   86    90   268.000  1.529
   86    94   268.000  1.529
   89    99   320.000  1.380
   99    39   250.000  1.527
   99   104   380.000  1.407
   39    42   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
  104   105   553.000  0.945
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   340.000  1.090
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   340.000  1.090
   82    83   553.000  0.945
   74    75   340.000  1.080
   74    84   549.000  1.340
   84    85   340.000  1.080
   84    87   320.000  1.462
   87    88   570.000  1.229
   87    98   214.000  1.327
   98   100   320.000  1.410
  100   101   340.000  1.090
  100   102   340.000  1.090
  100   103   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   46    47   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    52    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    40    63.00000  111.10000
   33    37    46    50.00000  109.50000
   33    52    49    58.35000  112.70000
   33    52    55    58.35000  112.70000
   33    52    58    58.35000  112.70000
   33    39    68    58.35000  112.70000
   33    39    99    75.00000  109.43000
   33    39    42    58.35000  112.70000
   37    40    41    80.00000  120.40000
   37    40    48    81.00000  111.40000
   37    46    47    55.00000  108.50000
   40    37    38    35.00000  109.50000
   40    48    49    83.00000  116.90000
   48    40    41    83.00000  123.40000
   48    49    50    35.00000  109.50000
   48    49    51    85.00000  111.85700
   48    49    52    50.00000  109.50000
   49    51    53    60.00000  130.00000
   49    51    70    60.00000  130.00000
   49    52    55    58.35000  112.70000
   49    52    58    58.35000  112.70000
   51    49    50    35.00000  109.50000
   51    53    54    35.00000  127.50000
   51    53    62    70.00000  107.30000
   51    70    67    70.00000  110.60000
   51    70    71    35.00000  132.10000
   53    62    63    35.00000  132.10000
   53    62    67    70.00000  110.60000
   62    53    54    35.00000  125.70000
   62    67    70    70.00000  106.50000
   67    62    63    35.00000  113.40000
   67    70    71    35.00000  113.40000
   70    51    53    70.00000  107.30000
   52    33    37    58.35000  112.70000
   52    49    50    37.50000  110.70000
   52    49    51    70.00000  112.17500
   52    55    56    37.50000  110.70000
   52    55    57    37.50000  110.70000
   52    55    64    58.35000  112.70000
   52    58    59    37.50000  110.70000
   52    58    60    37.50000  110.70000
   52    58    61    37.50000  110.70000
   55    64    65    37.50000  110.70000
   55    64    66    37.50000  110.70000
   55    64    68    58.35000  112.70000
   57    55    56    33.00000  107.80000
   64    55    56    37.50000  110.70000
   64    55    57    37.50000  110.70000
   64    68    69    37.50000  110.70000
   64    68    72    58.35000  112.70000
   64    68    39    58.35000  112.70000
   66    64    65    33.00000  107.80000
   68    64    65    37.50000  110.70000
   68    64    66    37.50000  110.70000
   68    72    73    58.35000  112.70000
   68    72    74    70.00000  112.02700
   68    72    76    58.35000  112.70000
   68    39    99    75.00000  109.43000
   68    39    42    58.35000  112.70000
   72    68    69    37.50000  110.70000
   72    73    80    63.00000  111.10000
   72    73    99    75.00000  109.43000
   72    73    82    50.00000  109.50000
   72    74    75    35.00000  117.00000
   72    74    84    70.00000  124.00000
   72    76    77    37.50000  110.70000
   72    76    78    37.50000  110.70000
   72    76    79    37.50000  110.70000
   73    80    81    80.00000  120.40000
   73    80    86    70.00000  116.00000
   73    99    89    90.00000  108.56700
   73    99    39    65.00000  112.71400
   73    99   104    90.00000  110.19100
   73    82    83    55.00000  108.50000
   80    86    89    90.00000  108.74100
   80    86    90    63.00000  111.10000
   80    86    94    63.00000  111.10000
   86    80    81    80.00000  120.40000
   86    89    99    60.00000  109.50000
   86    90    91    37.50000  110.70000
   86    90    92    37.50000  110.70000
   86    90    93    37.50000  110.70000
   86    94    95    37.50000  110.70000
   86    94    96    37.50000  110.70000
   86    94    97    37.50000  110.70000
   89    99    39    90.00000  108.56700
   89    99   104   110.00000  112.08000
   99    73    80    63.00000  111.10000
   99    39    42    75.00000  109.43000
   99   104   105    70.00000  107.92000
   39    33    37    58.35000  112.70000
   39    33    52    58.35000  112.70000
   39    68    69    37.50000  110.70000
   39    68    72    58.35000  112.70000
   39    42    43    37.50000  110.70000
   39    42    44    37.50000  110.70000
   39    42    45    37.50000  110.70000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
  104    99    39    90.00000  110.19100
   90    86    89    50.00000  109.50000
   92    90    91    33.00000  107.80000
   93    90    91    33.00000  107.80000
   93    90    92    33.00000  107.80000
   94    86    89    50.00000  109.50000
   94    86    90    58.35000  112.70000
   96    94    95    33.00000  107.80000
   97    94    95    33.00000  107.80000
   97    94    96    33.00000  107.80000
   82    73    80    90.00000  109.61100
   82    73    99    90.00000  111.58700
   74    72    73    70.00000  112.02700
   74    84    85    35.00000  120.00000
   74    84    87    65.00000  118.96000
   84    74    75    35.00000  120.00000
   84    87    88    80.00000  123.72100
   84    87    98    90.00000  111.29400
   87    84    85    40.00000  117.72500
   87    98   100    83.00000  116.90000
   98    87    88    83.00000  123.40000
   98   100   101    35.00000  109.50000
   98   100   102    35.00000  109.50000
   98   100   103    35.00000  109.50000
  102   100   101    33.00000  107.80000
  103   100   101    33.00000  107.80000
  103   100   102    33.00000  107.80000
   76    72    73    58.35000  112.70000
   76    72    74    70.00000  112.02700
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   58    52    55    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   46    37    38    35.00000  109.50000
   46    37    40    90.00000  109.61100
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
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   39    33    52    49  -0.07550 -1.0 2.0
   39    33    52    49   0.20000  1.0 3.0
   39    33   -52    55   0.56750  1.0 1.0
   39    33   -52    55  -0.07550 -1.0 2.0
   39    33   -52    55   0.20000  1.0 3.0
   39    33    52    58   0.56750  1.0 1.0
   39    33    52    58  -0.07550 -1.0 2.0
   39    33    52    58   0.20000  1.0 3.0
   39    68   -72    73   0.56750  1.0 1.0
   39    68   -72    73  -0.07550 -1.0 2.0
   39    68   -72    73   0.20000  1.0 3.0
   39    68    72    74   0.34400  1.0 1.0
   39    68    72    74   0.09450 -1.0 2.0
   39    68    72    74   0.11100  1.0 3.0
   39    68    72    76   0.56750  1.0 1.0
   39    68    72    76  -0.07550 -1.0 2.0
   39    68    72    76   0.20000  1.0 3.0
   39    99   104   105  -0.11600  1.0 1.0
   39    99   104   105  -0.09450 -1.0 2.0
   39    99   104   105   0.21250  1.0 3.0
  104    99    39    33   0.86500  1.0 1.0
  104    99    39    33  -0.17500 -1.0 2.0
  104    99    39    33   0.20800  1.0 3.0
  104    99    39    68   0.86500  1.0 1.0
  104    99    39    68  -0.17500 -1.0 2.0
  104    99    39    68   0.20800  1.0 3.0
  104    99    39    42   0.86500  1.0 1.0
  104    99    39    42  -0.17500 -1.0 2.0
  104    99    39    42   0.20800  1.0 3.0
   90    86    89    99   0.06250  1.0 1.0
   90    86    89    99  -0.01100 -1.0 2.0
   90    86    89    99   0.28050  1.0 3.0
   90    86    94    95   0.15000  1.0 3.0
   90    86    94    96   0.15000  1.0 3.0
   90    86    94    97   0.15000  1.0 3.0
   94    86    89    99   0.06250  1.0 1.0
   94    86    89    99  -0.01100 -1.0 2.0
   94    86    89    99   0.28050  1.0 3.0
   94    86    90    91   0.15000  1.0 3.0
   94    86    90    92   0.15000  1.0 3.0
   94    86    90    93   0.15000  1.0 3.0
   82    73    80    81   0.30150 -1.0 2.0
   82    73    80    86   0.55300  1.0 1.0
   82    73    80    86   1.25850 -1.0 2.0
   82    73    80    86  -0.23600  1.0 3.0
   82    73    99    89   3.69350  1.0 1.0
   82    73    99    89  -1.82950 -1.0 2.0
   82    73    99    39   0.86500  1.0 1.0
   82    73    99    39  -0.17500 -1.0 2.0
   82    73    99    39   0.20800  1.0 3.0
   82    73    99   104   3.75450  1.0 1.0
   74    72    73    80  -0.98800  1.0 1.0
   74    72    73    80   0.48800 -1.0 2.0
   74    72    73    80   0.76800  1.0 3.0
   74    72    73    99   0.34400  1.0 1.0
   74    72    73    99   0.09450 -1.0 2.0
   74    72    73    99   0.11100  1.0 3.0
   74    72    73    82   1.05650  1.0 1.0
   74    72    73    82   0.15600 -1.0 2.0
   74    72    73    82   0.53150  1.0 3.0
   74    72    76    77   0.15000  1.0 3.0
   74    72    76    78   0.15000  1.0 3.0
   74    72    76    79   0.15000  1.0 3.0
   74    84    87    88   1.00000 -1.0 2.0
   74    84    87    98  -0.56150  1.0 1.0
   74    84    87    98   2.19150 -1.0 2.0
   75    74    84    85   7.00000 -1.0 2.0
   75    74    84    87   7.00000 -1.0 2.0
   84    87    98   100   2.00000 -1.0 2.0
   85    84    87    88   0.00000  1.0 1.0
   85    84    87    98   1.63100 -1.0 2.0
   87    98   100   101   0.08050  1.0 3.0
   87    98   100   102   0.08050  1.0 3.0
   87    98   100   103   0.08050  1.0 3.0
   88    87    98   100   3.00000 -1.0 2.0
   76    72    73    80  -0.95700  1.0 1.0
   76    72    73    80  -0.18200 -1.0 2.0
   76    72    73    80   0.29450  1.0 3.0
   76    72    73    99   3.97050  1.0 1.0
   76    72    73    82   0.86500  1.0 1.0
   76    72    73    82  -0.17500 -1.0 2.0
   76    72    73    82   0.20800  1.0 3.0
   76    72    74    75   0.00000  1.0 1.0
   76    72    74    84   0.09850  1.0 1.0
   76    72    74    84   0.15250 -1.0 2.0
   76    72    74    84  -0.50650  1.0 3.0
   58    52    55    56   0.15000  1.0 3.0
   58    52    55    57   0.15000  1.0 3.0
   58    52    55    64   0.56750  1.0 1.0
   58    52    55    64  -0.07550 -1.0 2.0
   58    52    55    64   0.20000  1.0 3.0
   46    37    40    41   0.30150 -1.0 2.0
   46    37    40    48   0.30750  1.0 1.0
   46    37    40    48   1.13850 -1.0 2.0
   46    37    40    48   0.38850  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    40    41  10.50000 -1.0 2.0
   53    70    51    49   4.00000 -1.0 2.0
   62    54    53    51   1.10000 -1.0 2.0
   67    63    62    53   1.10000 -1.0 2.0
   67    71    70    51   1.10000 -1.0 2.0
   73    86    80    81  10.50000 -1.0 2.0
   72    75    74    84  15.00000 -1.0 2.0
   87    85    84    74  15.00000 -1.0 2.0
   84    98    87    88  10.50000 -1.0 2.0
END
