* LIGAND DATABASE FILE (OPLS2005)
*
001     119   123    223    350     644
    1     0 S   NP   _N1_     1    29.22571   100.73639   -21.29564
    2     1 S   H    _HN1     2     1.02838    53.74614   149.24458
    3     1 S   H    _H1_     3     1.02780   101.20158  -106.68794
    4     1 S   H    _H2_     4     1.02960    58.47560    -1.94943
    5     1 S   CT   _CA1     5     1.50110   146.47617    77.38884
    6     5 S   HC   _HA1     6     1.09574   105.25169   114.20770
    7     5 S   CO3  _C1_     7     1.53793   112.36795    -6.04218
    8     7 S   O2Z  _O11     8     1.26359   115.00948   -44.66113
    9     7 S   O2Z  _O12     9     1.26238   114.91943   134.57096
   10     5 S   CT   _CB1    10     1.53102   107.43731  -127.87266
   11    10 S   HC   HB11    11     1.09825   109.36603   -50.87514
   12    10 S   HC   HB12    12     1.09820   110.39903    65.67292
   13    10 S   CT   _CG1    13     1.53015   112.66927  -171.98222
   14    13 S   HC   HG11    14     1.09597   110.43227   -62.97608
   15    13 S   HC   HG12    15     1.09648   110.00573    56.24515
   16    13 S   C    _CD1    16     1.51816   112.31206   176.61899
   17    16 S   O    _OE1    17     1.22721   123.26033    -3.08971
   18    16 S   N    _N2_    18     1.38636   111.64348   177.08254
   19    18 S   H    _HN2    19     1.01586   119.02284     1.49698
   20    18 S   CT1  _CA2    20     1.46180   123.37707  -179.57942
   21    20 S   HC   _HA2    21     1.09737   109.41310    -7.69585
   22    20 S   C    _C2_    22     1.53440   108.36871  -123.31567
   23    22 S   O    _O2_    23     1.23025   122.22682  -144.94461
   24    20 S   CT   _CB2    32     1.53479   111.60566   114.31624
   25    24 S   HC   HB21    33     1.09520   109.67047    55.71801
   26    24 S   HC   HB22    34     1.09408   109.87219   174.49391
   27    22 S   N    _N3_    24     1.38499   113.42897    42.38621
   28    27 S   H    _HN3    25     1.01509   118.97839    -0.42290
   29    24 S   S    _SG2    35     1.82966   111.60152   -64.89274
   30    27 S   CT   _CA3    26     1.45448   123.35590   175.06434
   31    30 S   HC   HA31    27     1.09529   109.13650    26.40424
   32    30 S   HC   HA32    28     1.09492   107.14823   143.40424
   33    29 S   CT   _C24    36     1.85099   100.90997  -171.26061
   34    30 S   CO3  _C3_    29     1.52935   113.18259   -96.99254
   35    34 S   O2Z  _O31    30     1.26397   115.43906   -43.43196
   36    34 S   O2Z  _O32    31     1.26361   114.95661   137.49543
   37    33 S   CD   _C21    37     1.52128   106.90008  -179.02985
   38    33 S   CT   _C25   116     1.53065   111.28478   -57.92833
   39    38 S   HC   _H18   117     1.09483   112.10315    72.60547
   40    38 S   HC   _H19   118     1.09664   111.84315   -48.51445
   41    38 S   HC   _H20   119     1.09674   111.23336  -167.06324
   42    37 S   NI   _N7_    38     1.29476   115.62799  -109.06325
   43    37 S   CM   _C20    48     1.48232   120.94558    70.02415
   44    43 S   HC   _H17    49     1.08234   117.41791   -58.28052
   45    42 S   C    _C22    39     1.37328   109.08884    -2.18265
   46    45 S   O    _O33    40     1.22546   125.05401   177.86174
   47    43 S   CM   _C19    50     1.34068   119.98202   119.75131
   48    33 S   CT   _C23    41     1.54901   110.51450    72.70593
   49    48 S   HC   _H7_    42     1.09713   112.03441    -8.73374
   50    47 S   CT   _C18    51     1.50987   126.04914  -178.29291
   51    50 S   HC   _H6_    52     1.10038   106.58579   -96.50502
   52    48 S   CM   _C26    43     1.50466   116.87676  -137.07323
   53    52 S   HC   _H21    44     1.08763   118.10790   -59.35390
   54    50 S   CT   _C17    53     1.54212   100.77836   151.37762
   55    54 S   HC   _H5_    54     1.09324   108.96067   138.94124
   56    50 S   CT   _C28   112     1.52218   116.97483    23.39223
   57    56 S   HC   _H24   113     1.09434   112.47468    56.54418
   58    56 S   HC   _H25   114     1.09573   110.76784   -63.65115
   59    56 S   HC   _H26   115     1.09423   110.52712   178.40382
   60    52 S   CM   _C27    45     1.33835   123.66166   121.30036
   61    60 S   HC   _H22    46     1.08479   120.45099   179.64834
   62    60 S   HC   _H23    47     1.08466   121.65952    -0.40203
   63    54 S   CD   _C16    55     1.52667    99.26960    24.16775
   64    54 S   CT   _C29   103     1.53983   117.05085   -93.64181
   65    64 S   HC   _H27   104     1.09712   110.72330    34.59820
   66    64 S   HC   _H28   105     1.09729   109.57603   149.95208
   67    63 S   CM   _C15    56     1.48501   122.66286   161.55982
   68    47 S   NI   _N6_   102     1.37243   123.53394    -0.97237
   69    64 S   CT   _C30   106     1.52977   112.97134   -89.44035
   70    69 S   HC   _H29   107     1.09623   109.78447   -48.97408
   71    69 S   HC   _H30   108     1.09361   110.50067    68.83116
   72    67 S   CM   _C32    57     1.34919   125.10879   171.65859
   73    69 S   CO3  _C31   109     1.53253   115.24804  -170.21212
   74    73 S   O2Z  _O35   110     1.26526   114.02957   170.69887
   75    73 S   O2Z  _O34   111     1.26113   116.58210    -9.62378
   76    72 S   CO4  _C33    58     1.49489   106.07617   175.64333
   77    76 S   O    _O36    59     1.21530   126.85386   179.71333
   78    72 S   CO4  _C34    95     1.46847   129.18653    -4.36260
   79    78 S   O    _O37    96     1.22104   124.31162   -48.77809
   80    76 S   CM   _C13    60     1.44665   107.16376     1.17153
   81    78 S   OS   _O38    97     1.35800   108.73912   131.87942
   82    67 S   CM   _C14    61     1.42813   126.60991   -10.98034
   83    81 S   CT   _C35    98     1.43057   115.00750  -179.38706
   84    83 S   HC   _H31    99     1.09325   108.11223  -178.34247
   85    83 S   HC   _H32   100     1.09393   110.14811    63.02669
   86    83 S   HC   _H33   101     1.09432   110.43513   -59.57299
   87    82 S   NE   _N5_    62     1.35671   136.32986    11.48420
   88    87 S   H    _H16    63     1.00949   122.61509     9.98243
   89    87 S   CT   _C11    64     1.47293   110.78506   166.01688
   90    89 S   HC   _H3_    65     1.09914   107.40338  -100.93414
   91    80 S   CT   _C12    66     1.48428   140.58296   172.90771
   92    91 S   HC   _H4_    67     1.09614   110.71202   -48.40055
   93    89 S   CT   _C10    72     1.53198   111.09257   138.99762
   94    93 S   HC   _H14    73     1.09563   110.25097   -58.32652
   95    93 S   HC   _H15    74     1.09673   109.75943  -176.12005
   96    91 S   CT   _C36    68     1.52283   111.27484    73.50289
   97    96 S   HC   _H34    69     1.09566   112.03230    56.70248
   98    96 S   HC   _H35    70     1.09597   110.60491   -63.11471
   99    96 S   HC   _H36    71     1.09456   110.89951   177.80974
  100    93 S   C5A  _C9_    75     1.50191   111.74011    63.37752
  101   100 S   C5BC _C6_    76     1.38742   131.57860  -115.24718
  102   101 S   C5BC _C7_    77     1.43883   106.97698   175.75393
  103   101 S   CT   _C5_    88     1.49794   126.66105    -3.58343
  104   103 S   HC   _H11    89     1.09640   109.59426  -149.63252
  105   103 S   HC   _H12    90     1.09638   109.86854   -33.85178
  106   102 S   C5A  _C8_    78     1.38779   107.31241     2.42342
  107   102 S   CT   _C38    84     1.48953   126.59323  -177.87146
  108   107 S   HC   _H38    85     1.09482   110.89112   138.59033
  109   107 S   HC   _H39    86     1.09453   110.15756  -101.25993
  110   107 S   HC   _H40    87     1.09383   111.75516    19.14221
  111   103 S   CT   _C4_    91     1.51995   112.85258    88.42782
  112   111 S   HC   _H8_    92     1.09378   111.04676   -64.38987
  113   111 S   HC   _H9_    93     1.09459   110.24201   176.25237
  114   111 S   HC   _H10    94     1.09511   111.49832    56.08842
  115   100 S   NA   _N4_    79     1.37149   120.93360    63.98174
  116   115 S   H    _H13    80     1.01090   124.98715     1.25741
  117   106 S   CO4  _C37    81     1.44261   129.74329   179.74359
  118   117 S   O    _O39    82     1.22839   124.70377  -176.99209
  119   117 S   HC   _H37    83     1.10303   115.75826     2.55144
  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  12   5   4   3
  16   2   1   1  15   9   3   2   1   8  10   3   6   3  12   6
   3  14   9   4   3  17   8   6   2   1   1   2   1   1  12  10
   5   4  13   2   5   4   3  10   2   1   1  11   4   8   2  12
   4   8   3   2   1   1  10   4  13   7   9   5  10   4   3   3
   2   1   1  11  16  14   9   5   4   9   5   2   1   1   3   2
   1   1   4   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    48    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    45    48    49    52    43    38    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    45    46    48    49    52    53    60    43    44    47    38    39    40    41  
   35    36  
   36  
    0  
   42    45    46    48    49    52    43    44    47    50    68    38    39    40    41  
   39    40    41    42    43    45    48    49    52  
   40    41    48  
   41    48  
   48  
   45    46    48    49    52    43    44    47  
   44    47    50    51    54    63    68    56    45    48  
   47    50    68  
   46    48    49    52    53    60  
   48    49    52  
   50    51    54    55    63    67    68    64    56    57    58    59  
   49    52    53    60    61    62  
   52    53    60  
   51    54    55    63    67    68    64    65    66    69    56    57    58    59  
   54    55    63    68    64    56    57    58    59  
   53    60    61    62  
   60    61    62  
   55    63    67    72    82    68    64    65    66    69    70    71    73    56    57    58    59  
   63    67    68    64    65    66    69    56  
   57    58    59    63    64    68  
   58    59  
   59  
    0  
   61    62  
   62  
    0  
   67    72    76    80    82    87    78    68    64    65    66    69  
   65    66    69    70    71    73    74    75    67    68  
   66    69    70    71    73  
   69    70    71    73  
   72    76    77    80    82    87    88    89    91    78    79    81    68  
   72    82  
   70    71    73    74    75  
   71    73    74    75  
   73    74    75  
   76    77    80    82    87    91    78    79    81    83  
   74    75  
   75  
    0  
   77    80    82    87    89    91    92    96    78    79    81  
   80    82    91    78  
   79    81    83    84    85    86    80    82  
   81    83  
   82    87    88    89    90    91    92    96    97    98    99    93  
   83    84    85    86  
   87    88    89    90    91    92    96    93  
   84    85    86  
   85    86  
   86  
    0  
   88    89    90    91    92    96    93    94    95   100  
   89    90    91    93  
   90    91    92    96    97    98    99    93    94    95   100   101   115  
   91    92    96    93    94    95   100  
   92    96    97    98    99    93    94    95   100  
   96    97    98    99    93  
   94    95   100   101   102   106   115   116   103    96  
   95   100   101   115  
  100   101   115  
   97    98    99  
   98    99  
   99  
    0  
  101   102   106   115   116   117   107   103   104   105   111  
  102   106   115   116   117   107   108   109   110   103   104   105   111   112   113   114  
  106   115   116   117   118   119   107   108   109   110   103   104   105   111  
  104   105   111   112   113   114   106   107   115  
  105   111   112   113   114  
  111   112   113   114  
  115   116   117   118   119   107   108   109   110  
  108   109   110   115   117  
  109   110  
  110  
    0  
  112   113   114  
  113   114  
  114  
    0  
  116   117   118   119  
  117  
  118   119  
  119  
    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   0.203600   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   3.7500   0.1050   0.356900   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.2800   0.1700  -0.512200   1.8540   1.6400   0.005000000   0.000000000
   43   3.5500   0.0760  -0.118300   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.7500   0.1050   0.345000   2.1120   1.8750   0.001000000  -0.126889456
   46   2.9600   0.2100  -0.222500   1.6780   1.4800   0.001000000  -0.126889456
   47   3.5500   0.0760   0.122500   2.0020   1.7750   0.023028004  -0.852763146
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.023900   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.7500   0.1050   0.356900   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5500   0.0760  -0.003300   2.0020   1.7750   0.023028004  -0.852763146
   68   3.2800   0.1700  -0.512200   1.8540   1.6400   0.005000000   0.000000000
   69   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   73   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   76   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   77   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   78   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   80   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   81   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   82   3.5500   0.0760   0.018000   2.0020   1.7750   0.023028004  -0.852763146
   83   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   85   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   86   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   87   3.2500   0.1700  -0.607000   1.8650   1.6500   0.051222218  -2.220205820
   88   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   89   3.5000   0.0660   0.175300   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   3.5000   0.0660   0.035000   1.9750   1.7500   0.005000000  -0.741685710
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   96   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   3.5500   0.0700  -0.163000   2.0020   1.7750   0.001000000  -0.843144165
  101   3.5500   0.0700  -0.146000   2.0020   1.7750   0.001000000  -0.843144165
  102   3.5500   0.0700  -0.146000   2.0020   1.7750   0.001000000  -0.843144165
  103   3.5000   0.0660  -0.005000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   3.5500   0.0700  -0.123000   2.0020   1.7750   0.001000000  -0.843144165
  107   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
  108   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  109   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  110   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  111   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  112   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  113   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  114   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  115   3.2500   0.1700  -0.239000   1.8650   1.6500   0.001000000  -0.511443539
  116   0.5000   0.0300   0.317000   0.9960   0.8600   0.030040813  -0.651083722
  117   3.7500   0.1050   0.565000   2.1120   1.8750   0.001000000  -0.126889456
  118   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
  119   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   270.000  1.508
   33    48   268.000  1.529
   33    38   268.000  1.529
   37    42   500.000  1.261
   37    43   320.000  1.464
   42    45   415.000  1.368
   45    46   570.000  1.229
   45    48   317.000  1.522
   48    49   340.000  1.090
   48    52   317.000  1.510
   52    53   340.000  1.080
   52    60   549.000  1.340
   60    61   340.000  1.080
   60    62   340.000  1.080
   43    44   340.000  1.080
   43    47   549.000  1.340
   47    50   317.000  1.510
   47    68   405.000  1.380
   50    51   340.000  1.090
   50    54   268.000  1.529
   50    56   268.000  1.529
   54    55   340.000  1.090
   54    63   270.000  1.508
   54    64   268.000  1.529
   63    67   320.000  1.464
   63    68   500.000  1.261
   67    72   549.000  1.340
   67    82   380.000  1.444
   72    76   320.000  1.462
   72    78   320.000  1.462
   76    77   570.000  1.229
   76    80   320.000  1.462
   80    82   549.000  1.340
   80    91   317.000  1.510
   82    87   425.000  1.378
   87    88   434.000  1.010
   87    89   382.000  1.448
   89    90   340.000  1.090
   89    91   268.000  1.529
   89    93   268.000  1.529
   91    92   340.000  1.090
   91    96   268.000  1.529
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   340.000  1.090
   93    94   340.000  1.090
   93    95   340.000  1.090
   93   100   295.000  1.489
  100   101   546.000  1.367
  100   115   427.000  1.381
  101   102   469.000  1.424
  101   103   285.000  1.502
  102   106   546.000  1.367
  102   107   285.000  1.502
  106   115   427.000  1.381
  106   117   335.000  1.450
  115   116   434.000  1.010
  117   118   570.000  1.229
  117   119   340.000  1.090
  107   108   340.000  1.090
  107   109   340.000  1.090
  107   110   340.000  1.090
  103   104   340.000  1.090
  103   105   340.000  1.090
  103   111   268.000  1.529
  111   112   340.000  1.090
  111   113   340.000  1.090
  111   114   340.000  1.090
   78    79   570.000  1.229
   78    81   214.000  1.327
   81    83   320.000  1.410
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    73   317.000  1.522
   73    74   656.000  1.250
   73    75   656.000  1.250
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  114.43000
   29    33    48    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    42    65.00000  122.10100
   33    37    43    65.00000  117.24000
   33    48    45    63.00000  111.10000
   33    48    49    37.50000  110.70000
   33    48    52    70.00000  112.02700
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   37    42    45    80.00000  110.69000
   37    43    44    40.00000  114.85300
   37    43    47    60.00000  120.31500
   42    45    46    80.00000  126.08800
   42    45    48    80.00000  113.45100
   45    48    49    35.00000  109.50000
   45    48    52    70.00000  115.00700
   48    33    37    70.00000  111.76100
   48    45    46    80.00000  120.40000
   48    52    53    35.00000  117.00000
   48    52    60    70.00000  124.00000
   52    48    49    35.00000  109.50000
   52    60    61    35.00000  120.00000
   52    60    62    35.00000  120.00000
   60    52    53    35.00000  120.00000
   62    60    61    35.00000  117.00000
   43    37    42    70.00000  121.86000
   43    47    50    70.00000  124.00000
   43    47    68    70.00000  120.83400
   47    43    44    35.00000  120.00000
   47    50    51    35.00000  109.50000
   47    50    54    70.00000  112.02700
   47    50    56    70.00000  112.02700
   47    68    63    75.00000  115.77100
   50    54    55    37.50000  110.70000
   50    54    63    70.00000  111.76100
   50    54    64    58.35000  112.70000
   50    56    57    37.50000  110.70000
   50    56    58    37.50000  110.70000
   50    56    59    37.50000  110.70000
   54    50    51    37.50000  110.70000
   54    63    67    60.00000  124.00000
   54    63    68    65.00000  122.10100
   54    64    65    37.50000  110.70000
   54    64    66    37.50000  110.70000
   54    64    69    58.35000  112.70000
   63    54    55    45.00000  109.49600
   63    67    72    60.00000  124.00000
   63    67    82    60.00000  124.00000
   67    72    76    65.00000  118.96000
   67    72    78    65.00000  118.96000
   67    82    80    70.00000  123.01800
   67    82    87    70.00000  124.03900
   72    76    77    80.00000  123.72100
   72    76    80    65.00000  118.65900
   72    78    79    80.00000  123.72100
   72    78    81    90.00000  111.29400
   76    80    82    65.00000  118.96000
   76    80    91    65.00000  116.34900
   80    76    77    80.00000  123.72100
   80    82    87    70.00000  124.03900
   80    91    89    70.00000  112.02700
   80    91    92    35.00000  109.50000
   80    91    96    70.00000  112.02700
   82    67    72    70.00000  123.01800
   82    87    88    35.00000  114.50000
   82    87    89    50.00000  121.00000
   87    89    90    35.00000  109.50000
   87    89    91    80.00000  111.61500
   87    89    93    80.00000  111.61500
   89    87    88    35.00000  112.50000
   89    91    92    37.50000  110.70000
   89    91    96    58.35000  112.70000
   89    93    94    37.50000  110.70000
   89    93    95    37.50000  110.70000
   89    93   100    70.00000  113.44400
   91    80    82    70.00000  124.00000
   91    89    90    37.50000  110.70000
   91    96    97    37.50000  110.70000
   91    96    98    37.50000  110.70000
   91    96    99    37.50000  110.70000
   96    91    92    37.50000  110.70000
   98    96    97    33.00000  107.80000
   99    96    97    33.00000  107.80000
   99    96    98    33.00000  107.80000
   93    89    90    37.50000  110.70000
   93    89    91    58.35000  112.70000
   93   100   101    50.00000  133.50000
   93   100   115    65.00000  122.56900
   95    93    94    33.00000  107.80000
  100    93    94    45.00000  110.47400
  100    93    95    45.00000  110.47400
  100   101   102    70.00000  107.30000
  100   101   103    60.00000  130.00000
  100   115   106    70.00000  109.80000
  100   115   116    35.00000  120.00000
  101   102   106    70.00000  107.30000
  101   102   107    60.00000  130.00000
  101   103   104    35.00000  109.50000
  101   103   105    35.00000  109.50000
  101   103   111    70.00000  112.17500
  102   106   115    70.00000  107.70000
  102   106   117    55.00000  130.80000
  102   107   108    35.00000  109.50000
  102   107   109    35.00000  109.50000
  102   107   110    35.00000  109.50000
  106   115   116    35.00000  120.00000
  106   117   118    80.00000  122.40000
  106   117   119    35.00000  115.00000
  115   100   101    70.00000  107.70000
  117   106   115    70.00000  119.02500
  119   117   118    35.00000  123.00000
  107   102   106    60.00000  130.00000
  109   107   108    33.00000  107.80000
  110   107   108    33.00000  107.80000
  110   107   109    33.00000  107.80000
  103   101   102    60.00000  130.00000
  103   111   112    37.50000  110.70000
  103   111   113    37.50000  110.70000
  103   111   114    37.50000  110.70000
  105   103   104    33.00000  107.80000
  111   103   104    37.50000  110.70000
  111   103   105    37.50000  110.70000
  113   111   112    33.00000  107.80000
  114   111   112    33.00000  107.80000
  114   111   113    33.00000  107.80000
   78    72    76    65.00000  115.30000
   78    81    83    83.00000  116.90000
   81    78    79    83.00000  123.40000
   81    83    84    35.00000  109.50000
   81    83    85    35.00000  109.50000
   81    83    86    35.00000  109.50000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   68    47    50    65.00000  119.96000
   68    63    67    65.00000  125.00000
   64    54    55    37.50000  110.70000
   64    54    63    70.00000  111.76100
   64    69    70    37.50000  110.70000
   64    69    71    37.50000  110.70000
   64    69    73    70.00000  109.69300
   66    64    65    33.00000  107.80000
   69    64    65    37.50000  110.70000
   69    64    66    37.50000  110.70000
   69    73    74    70.00000  117.00000
   69    73    75    70.00000  117.00000
   71    69    70    33.00000  107.80000
   73    69    70    35.00000  109.50000
   73    69    71    35.00000  109.50000
   75    73    74    80.00000  126.00000
   56    50    51    37.50000  110.70000
   56    50    54    58.35000  112.70000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   38    33    37    70.00000  111.76100
   38    33    48    58.35000  112.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
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  106   102   107   110   0.00000  1.0 1.0
  115   100  -101   102   3.62500 -1.0 2.0
  115   100   101   103   3.62500 -1.0 2.0
  115   106   117   118   1.85000 -1.0 2.0
  115   106   117   119   0.56600 -1.0 2.0
  117   106   115   100   3.62500 -1.0 2.0
  117   106   115   116   2.00000 -1.0 2.0
  107   102   106   115   3.62500 -1.0 2.0
  107   102   106   117   3.62500 -1.0 2.0
  103   101   102   106   3.62500 -1.0 2.0
  103   101   102   107   3.62500 -1.0 2.0
  104   103   111   112   0.15000  1.0 3.0
  104   103   111   113   0.15000  1.0 3.0
  104   103   111   114   0.15000  1.0 3.0
  105   103   111   112   0.15000  1.0 3.0
  105   103   111   113   0.15000  1.0 3.0
  105   103   111   114   0.15000  1.0 3.0
   78    72    76    77   2.50000 -1.0 2.0
   78    72    76    80   1.50000 -1.0 2.0
   78    81    83    84   0.08050  1.0 3.0
   78    81    83    85   0.08050  1.0 3.0
   78    81    83    86   0.08050  1.0 3.0
   79    78    81    83   3.00000 -1.0 2.0
   68    47    50    51   0.00000  1.0 1.0
   68    47   -50    54   0.09700  1.0 1.0
   68    47   -50    54   0.15600 -1.0 2.0
   68    47   -50    54  -0.50800  1.0 3.0
   68    47    50    56   0.09700  1.0 1.0
   68    47    50    56   0.15600 -1.0 2.0
   68    47    50    56  -0.50800  1.0 3.0
   68    63    67    72   1.09650  1.0 1.0
   68    63    67    72   0.48950 -1.0 2.0
   68    63    67    72   0.49400  1.0 3.0
   68    63    67    82   1.09650  1.0 1.0
   68    63    67    82   0.48950 -1.0 2.0
   68    63    67    82   0.49400  1.0 3.0
   64    54    63    67   0.09850  1.0 1.0
   64    54    63    67   0.15250 -1.0 2.0
   64    54    63    67  -0.50650  1.0 3.0
   64    54    63    68   0.00000  1.0 1.0
   64    69    73    74   0.41150 -1.0 2.0
   64    69    73    75   0.41150 -1.0 2.0
   65    64    69    70   0.15000  1.0 3.0
   65    64    69    71   0.15000  1.0 3.0
   65    64    69    73  -0.11250  1.0 3.0
   66    64    69    70   0.15000  1.0 3.0
   66    64    69    71   0.15000  1.0 3.0
   66    64    69    73  -0.11250  1.0 3.0
   70    69    73    74   0.00000  1.0 1.0
   70    69    73    75   0.00000  1.0 1.0
   71    69    73    74   0.00000  1.0 1.0
   71    69    73    75   0.00000  1.0 1.0
   56    50    54    55   0.15000  1.0 3.0
   56    50    54    63   0.34400  1.0 1.0
   56    50    54    63   0.09450 -1.0 2.0
   56    50    54    63   0.11100  1.0 3.0
   56    50    54    64   0.56750  1.0 1.0
   56    50    54    64  -0.07550 -1.0 2.0
   56    50    54    64   0.20000  1.0 3.0
   38    33    37    42   0.00000  1.0 1.0
   38    33    37    43   0.09850  1.0 1.0
   38    33    37    43   0.15250 -1.0 2.0
   38    33    37    43  -0.50650  1.0 3.0
   38    33    48    45  -0.95700  1.0 1.0
   38    33    48    45  -0.18200 -1.0 2.0
   38    33    48    45   0.29450  1.0 3.0
   38    33    48    49   0.15000  1.0 3.0
   38    33    48    52   0.34400  1.0 1.0
   38    33    48    52   0.09450 -1.0 2.0
   38    33    48    52   0.11100  1.0 3.0
IPHI
    8     5     7     9  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
   35    30    34    36  10.50000 -1.0 2.0
   33    43    37    42  10.50000 -1.0 2.0
   42    48    45    46  10.50000 -1.0 2.0
   48    53    52    60  15.00000 -1.0 2.0
   61    62    60    52  15.00000 -1.0 2.0
   37    44    43    47   1.10000 -1.0 2.0
   50    68    47    43   1.10000 -1.0 2.0
   54    67    63    68  10.50000 -1.0 2.0
   63    82    67    72   1.10000 -1.0 2.0
   76    78    72    67   1.10000 -1.0 2.0
   72    80    76    77  10.50000 -1.0 2.0
   76    91    80    82   1.10000 -1.0 2.0
   67    87    82    80   1.10000 -1.0 2.0
   88    82    87    89   1.00000 -1.0 2.0
  101   115   100    93   4.00000 -1.0 2.0
  102   103   101   100   4.00000 -1.0 2.0
  106   107   102   101   4.00000 -1.0 2.0
  117   115   106   102   4.00000 -1.0 2.0
  116   100   115   106   1.00000 -1.0 2.0
  106   119   117   118  10.50000 -1.0 2.0
   72    81    78    79  10.50000 -1.0 2.0
   74    69    73    75  10.50000 -1.0 2.0
END
