* LIGAND DATABASE FILE (OPLS2005)
*
001     117   120    224    357     661
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02020   106.25403    -5.79282
    3     1 S   H    _H1_     3     1.02130    50.99340    95.40921
    4     1 S   H    _H2_     4     1.02110    61.26722  -108.51982
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03434
    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     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04714   118.79755     8.55077
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08457   106.29775   -11.15208
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CT   _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08610   110.54789    58.78698
   26    24 S   HC   HB22    34     1.08641   109.88695   179.05581
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52762  -172.12615
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27911
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   CT   _C31    36     1.82773    97.99642   161.84390
   34    33 S   HC   _H9_    37     1.09781   108.07510   -39.19299
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CT   _C32    38     1.53639   110.01509    79.98413
   39    38 S   HC   _H39    39     1.09742   111.84422    42.50531
   40    38 S   CO4  _C33    40     1.51131   101.36340   155.91702
   41    40 S   O    _O38    41     1.22572   124.11632   160.42405
   42    38 S   CT   _C34   114     1.52059   113.66603   -83.66553
   43    42 S   HC   _H40   115     1.09113   110.12541   -53.21724
   44    42 S   HC   _H41   116     1.09091   110.15778  -173.17260
   45    42 S   HC   _H42   117     1.09058   110.17094    66.76323
   46    40 S   CT   _C23    42     1.51608   112.39861   -21.44761
   47    46 S   HC   _H5_    43     1.09536   106.77188   117.70744
   48    46 S   CT   _C22    44     1.54238   109.95305  -120.67947
   49    48 S   HC   _H30    45     1.09945   107.73901    29.93787
   50    48 S   HC   _H31    46     1.09804   108.75689   -83.78406
   51    33 S   CT   _C24    60     1.54649   112.90136  -163.23811
   52    51 S   HC   _H6_    61     1.10194   105.93961   -41.65241
   53    48 S   CM   _C21    47     1.51857   118.70484   151.61277
   54    53 S   CM   _C20    48     1.34697   125.61900    19.13991
   55    54 S   HC   _H29    49     1.08850   118.55160  -178.32369
   56    53 S   CT   _C35   109     1.50738   114.39320  -159.58662
   57    56 S   HC   _H43   110     1.08644   109.70063   178.79699
   58    56 S   HC   _H44   111     1.08592   109.03891    58.60508
   59    54 S   CT   _C19    50     1.50792   124.84436     6.69937
   60    59 S   HC   _H4_    51     1.09632   104.44694    47.71761
   61    56 S   OH   _O39   112     1.41310   109.45585   -60.88343
   62    61 S   HO   _H45   113     0.97283   107.19358   179.98022
   63    59 S   C3T  _C15    52     1.51558   113.23065   164.53186
   64    63 S   HC   _H3_    53     1.08500   113.18915    45.46259
   65    63 S   C3T  _C14    54     1.50321   114.88667  -176.45111
   66    65 S   CT   _C27    55     1.50252   116.41880    -0.60781
   67    66 S   HC   _H8_    56     1.08793   108.70135  -168.22830
   68    63 S   C3T  _C16    75     1.50333   122.05934  -107.16907
   69    65 S   OS   _O34    84     1.43868   115.44338  -137.82438
   70    66 S   CT   _C26    57     1.56179   112.23512   -45.62695
   71    70 S   HC   _H7_    58     1.09411   105.27368   155.13647
   72    66 S   OS   _O35    68     1.43069   110.52247    77.03757
   73    68 S   CT   _C17    76     1.49056   119.04823    12.13413
   74    73 S   HC   _H23    77     1.10211   111.58053   179.95154
   75    73 S   HC   _H24    78     1.10165   111.62658    60.01164
   76    73 S   HC   _H25    79     1.10182   111.63838   -60.07492
   77    68 S   CT   _C18    80     1.49564   116.34248   150.06565
   78    77 S   HC   _H26    81     1.10002   111.35113  -179.94405
   79    77 S   HC   _H27    82     1.09970   111.37359    60.05146
   80    77 S   HC   _H28    83     1.09968   111.36220   -59.96210
   81    69 S   CO4  _C13    85     1.36764   117.46758  -160.01980
   82    81 S   O    _O33    86     1.22023   126.06300    -0.05234
   83    59 S   CT   _C25    59     1.57204   115.47274   -70.02277
   84    70 S   CT   _C30    64     1.53803   107.34285   -90.59915
   85    84 S   HC   _H35    65     1.08442   109.28437    67.19904
   86    84 S   HC   _H36    66     1.08549   109.24771   -52.80522
   87    84 S   HC   _H37    67     1.08481   109.23187  -172.78806
   88    72 S   CO4  _C28    69     1.36446   115.57582   147.07195
   89    88 S   O    _O36    70     1.22390   126.28551    -0.01978
   90    81 S   CM   _C12    87     1.47953   108.34841  -179.98022
   91    90 S   HC   _H22    88     1.08473   118.36807   -59.94603
   92    83 S   OH   _O37    62     1.44083   105.89251   -70.35270
   93    92 S   HO   _H38    63     0.96513   105.68112    60.01812
   94    88 S   CT   _C29    71     1.49781   109.68466   179.94065
   95    94 S   HC   _H32    72     1.09271   109.89737   -89.92548
   96    94 S   HC   _H33    73     1.09294   109.84719   148.05575
   97    94 S   HC   _H34    74     1.09420   109.33643    29.13595
   98    90 S   CM   _C11    89     1.33955   119.74898   119.97552
   99    98 S   HC   _H21    90     1.08681   120.48786   179.92087
  100    98 S   CM   _C10    91     1.44720   122.74802     0.03426
  101   100 S   HC   _H20    92     1.08808   116.97298    -0.01978
  102   100 S   CM   _C9_    93     1.34106   123.06658   180.00000
  103   102 S   HC   _H19    94     1.08808   119.96042     0.00000
  104   102 S   CM   _C8_    95     1.44617   123.01615   180.00000
  105   104 S   HC   _H18    96     1.08715   117.29524     0.20558
  106   104 S   CM   _C7_    97     1.34116   123.16896   180.00000
  107   106 S   HC   _H17    98     1.08785   119.95048     0.47105
  108   106 S   CT   _C6_    99     1.50197   123.58950   179.82086
  109   108 S   HC   _H15   100     1.09629   107.92231  -119.97754
  110   108 S   HC   _H16   101     1.09721   111.09789    -3.58097
  111   108 S   CT   _C5_   102     1.53093   112.94002   119.84563
  112   111 S   HC   _H13   103     1.09708   108.54177    59.96174
  113   111 S   HC   _H14   104     1.09675   110.21723   -56.56684
  114   111 S   CT   _C4_   105     1.52205   113.23683  -179.36665
  115   114 S   HC   _H10   106     1.09439   110.03432    59.39652
  116   114 S   HC   _H11   107     1.09447   111.52775   -60.15260
  117   114 S   HC   _H12   108     1.09454   110.98849   178.87796
  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  10   5   4   3
  18   8   2   1   1  13   8  14   5   5   2   1   1  13   7  13
   5   4  13   4  11  14   5   5   3   2  15   7   1   1  19   7
  21  18   8  13   9  10   7   8   7   3   2   1   3   2   1   1
   6   3   6   4   2   1   1   5   4   6   3   1   1   3   2   1
   1   6   3   6   3   6   3   7   3   8   4   9   5   4   6   5
   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    51    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    46    83    51    52    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    46    47    48    59    70    83    51    52    92    42    43    44    45  
   38    39    40    46    83    51    52    42  
   36    37  
   37  
    0  
   39    40    41    46    47    48    83    51    52    42    43    44    45  
   40    41    46    51    42    43    44    45  
   41    46    47    48    49    50    53    83    51    52    42    43    44    45  
   46    47    48    51    42  
   43    44    45    46    51  
   44    45  
   45  
    0  
   47    48    49    50    53    54    59    70    83    51    52    92    56  
   48    49    50    53    83    51    52  
   49    50    53    54    55    59    83    51    52    56    57    58    61  
   50    53    54    51    56  
   53    54    51    56  
   52    92    93    84    53    54    59    60    63    66    70    71    83  
   92    59    70    83  
   54    55    59    60    63    83    56    57    58    61    62  
   55    59    60    63    64    65    70    83    92    68    56    57    58    61  
   59    60    63    83    56  
   57    58    61    62    59  
   58    61    62  
   61    62  
   60    63    64    65    66    70    71    83    92    93    84    68    73    77    69  
   63    64    65    70    83    92    68  
   62  
    0  
   64    65    66    67    70    83    92    72    68    73    74    75    76    77    78    79    80    69    81  
   65    66    83    68    73    77    69  
   66    67    70    71    83    84    72    88    68    73    74    75    76    77    78    79    80    69    81    82    90  
   67    70    71    83    92    84    85    86    87    72    88    89    94    68    73    77    69    81  
   70    71    83    84    72    88    68    69  
   73    74    75    76    77    78    79    80    69    81    70    72    83  
   81    82    90    91    98    70    72    73    77  
   71    83    92    93    84    85    86    87    72    88  
   83    92    84    85    86    87    72  
   88    89    94    95    96    97    83    84  
   74    75    76    77    78    79    80  
   75    76    77  
   76    77  
   77  
   78    79    80  
   79    80  
   80  
    0  
   82    90    91    98    99   100  
   90    91    98  
   92    93    84    85    86    87  
   85    86    87    92  
   86    87  
   87  
    0  
   89    94    95    96    97  
   94    95    96    97  
   91    98    99   100   101   102  
   98    99   100  
   93  
    0  
   95    96    97  
   96    97  
   97  
    0  
   99   100   101   102   103   104  
  100   101   102  
  101   102   103   104   105   106  
  102   103   104  
  103   104   105   106   107   108  
  104   105   106  
  105   106   107   108   109   110   111  
  106   107   108  
  107   108   109   110   111   112   113   114  
  108   109   110   111  
  109   110   111   112   113   114   115   116   117  
  110   111   112   113   114  
  111   112   113   114  
  112   113   114   115   116   117  
  113   114   115   116   117  
  114   115   116   117  
  115   116   117  
  116   117  
  117  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.145000   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   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.206000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.5000   0.0660   0.236500   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   68   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   69   3.0000   0.1700  -0.302500   1.7660   1.5600   0.020110767  -0.896042159
   70   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   83   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   84   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   89   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   90   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   91   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   92   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   93   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   94   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   95   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   96   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   97   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   98   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   99   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  100   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  101   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  102   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  103   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  104   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  105   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  106   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  107   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  108   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
  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  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  115   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  116   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  117   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    34   340.000  1.090
   33    38   268.000  1.529
   33    51   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.522
   38    42   268.000  1.529
   40    41   570.000  1.229
   40    46   317.000  1.522
   46    47   340.000  1.090
   46    48   268.000  1.529
   46    51   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    53   317.000  1.510
   53    54   549.000  1.340
   53    56   317.000  1.510
   54    55   340.000  1.080
   54    59   317.000  1.510
   59    60   340.000  1.090
   59    63   275.000  1.510
   59    83   268.000  1.529
   63    64   340.000  1.088
   63    65   260.000  1.509
   63    68   260.000  1.509
   65    66   275.000  1.510
   65    68   260.000  1.509
   65    69   320.000  1.410
   66    67   340.000  1.090
   66    70   268.000  1.529
   66    72   320.000  1.410
   70    71   340.000  1.090
   70    83   268.000  1.529
   70    84   268.000  1.529
   83    51   268.000  1.529
   83    92   320.000  1.410
   51    52   340.000  1.090
   92    93   553.000  0.945
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    87   340.000  1.090
   72    88   214.000  1.327
   88    89   570.000  1.229
   88    94   317.000  1.522
   94    95   340.000  1.090
   94    96   340.000  1.090
   94    97   340.000  1.090
   68    73   275.000  1.510
   68    77   275.000  1.510
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   69    81   214.000  1.327
   81    82   570.000  1.229
   81    90   320.000  1.462
   90    91   340.000  1.080
   90    98   549.000  1.340
   98    99   340.000  1.080
   98   100   380.000  1.444
  100   101   340.000  1.080
  100   102   549.000  1.340
  102   103   340.000  1.080
  102   104   380.000  1.444
  104   105   340.000  1.080
  104   106   549.000  1.340
  106   107   340.000  1.080
  106   108   317.000  1.510
  108   109   340.000  1.090
  108   110   340.000  1.090
  108   111   268.000  1.529
  111   112   340.000  1.090
  111   113   340.000  1.090
  111   114   268.000  1.529
  114   115   340.000  1.090
  114   116   340.000  1.090
  114   117   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    61   320.000  1.410
   61    62   553.000  0.945
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    51    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    63.00000  111.10000
   33    38    42    58.35000  112.70000
   33    51    46    58.35000  112.70000
   33    51    83    58.35000  112.70000
   33    51    52    37.50000  110.70000
   38    33    34    37.50000  110.70000
   38    40    41    80.00000  120.40000
   38    40    46    70.00000  116.00000
   38    42    43    37.50000  110.70000
   38    42    44    37.50000  110.70000
   38    42    45    37.50000  110.70000
   40    38    39    35.00000  109.50000
   40    46    47    35.00000  109.50000
   40    46    48    63.00000  111.10000
   40    46    51    63.00000  111.10000
   46    40    41    80.00000  120.40000
   46    48    49    37.50000  110.70000
   46    48    50    37.50000  110.70000
   46    48    53    70.00000  112.02700
   46    51    83    58.35000  112.70000
   46    51    52    37.50000  110.70000
   48    46    47    37.50000  110.70000
   48    53    54    70.00000  124.00000
   48    53    56    65.00000  117.92700
   50    48    49    33.00000  107.80000
   53    48    49    35.00000  109.50000
   53    48    50    35.00000  109.50000
   53    54    55    35.00000  120.00000
   53    54    59    70.00000  124.00000
   53    56    57    35.00000  109.50000
   53    56    58    35.00000  109.50000
   53    56    61    90.00000  110.39200
   54    59    60    35.00000  109.50000
   54    59    63    70.00000  112.02700
   54    59    83    70.00000  112.02700
   59    54    55    35.00000  117.00000
   59    63    64    40.00000  115.04500
   59    63    65    60.00000  120.94000
   59    63    68    60.00000  120.94000
   59    83    70    58.35000  112.70000
   59    83    51    58.35000  112.70000
   59    83    92    50.00000  109.50000
   63    59    60    45.00000  109.38400
   63    65    66    60.00000  120.94000
   63    65    68    10.00000   60.00500
   63    65    69    50.00000  109.50000
   63    68    65    10.00000   60.00500
   63    68    73    60.00000  120.94000
   63    68    77    60.00000  120.94000
   65    63    64    37.50000  117.20000
   65    66    67    45.00000  109.38400
   65    66    70    70.00000  112.37300
   65    66    72    50.00000  109.50000
   65    68    73    60.00000  120.94000
   65    68    77    60.00000  120.94000
   65    69    81    83.00000  116.90000
   66    70    71    37.50000  110.70000
   66    70    83    58.35000  112.70000
   66    70    84    58.35000  112.70000
   66    72    88    83.00000  116.90000
   70    66    67    37.50000  110.70000
   70    83    51    58.35000  112.70000
   70    83    92    50.00000  109.50000
   70    84    85    37.50000  110.70000
   70    84    86    37.50000  110.70000
   70    84    87    37.50000  110.70000
   83    59    60    37.50000  110.70000
   83    59    63    70.00000  112.37300
   83    70    71    37.50000  110.70000
   83    51    52    37.50000  110.70000
   83    92    93    55.00000  108.50000
   51    33    34    37.50000  110.70000
   51    33    38    58.35000  112.70000
   51    46    47    37.50000  110.70000
   51    46    48    58.35000  112.70000
   92    83    51    50.00000  109.50000
   84    70    71    37.50000  110.70000
   84    70    83    58.35000  112.70000
   86    84    85    33.00000  107.80000
   87    84    85    33.00000  107.80000
   87    84    86    33.00000  107.80000
   72    66    67    35.00000  109.50000
   72    66    70    50.00000  109.50000
   72    88    89    83.00000  123.40000
   72    88    94    81.00000  111.40000
   88    94    95    35.00000  109.50000
   88    94    96    35.00000  109.50000
   88    94    97    35.00000  109.50000
   94    88    89    80.00000  120.40000
   96    94    95    33.00000  107.80000
   97    94    95    33.00000  107.80000
   97    94    96    33.00000  107.80000
   68    63    64    37.50000  117.20000
   68    63    65    10.00000   60.00500
   68    65    66    60.00000  120.94000
   68    73    74    45.00000  109.38400
   68    73    75    45.00000  109.38400
   68    73    76    45.00000  109.38400
   68    77    78    45.00000  109.38400
   68    77    79    45.00000  109.38400
   68    77    80    45.00000  109.38400
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   77    68    73    58.35000  112.70000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   69    65    66    50.00000  109.50000
   69    65    68    50.00000  109.50000
   69    81    82    83.00000  123.40000
   69    81    90    90.00000  111.29400
   81    90    91    40.00000  117.72500
   81    90    98    65.00000  118.96000
   90    81    82    80.00000  123.72100
   90    98    99    35.00000  120.00000
   90    98   100    70.00000  123.01800
   98    90    91    35.00000  120.00000
   98   100   101    35.00000  120.00000
   98   100   102    70.00000  123.01800
  100    98    99    35.00000  120.00000
  100   102   103    35.00000  120.00000
  100   102   104    70.00000  123.01800
  102   100   101    35.00000  120.00000
  102   104   105    35.00000  120.00000
  102   104   106    70.00000  123.01800
  104   102   103    35.00000  120.00000
  104   106   107    35.00000  120.00000
  104   106   108    70.00000  124.00000
  106   104   105    35.00000  120.00000
  106   108   109    35.00000  109.50000
  106   108   110    35.00000  109.50000
  106   108   111    70.00000  112.02700
  108   106   107    35.00000  117.00000
  108   111   112    37.50000  110.70000
  108   111   113    37.50000  110.70000
  108   111   114    58.35000  112.70000
  110   108   109    33.00000  107.80000
  111   108   109    37.50000  110.70000
  111   108   110    37.50000  110.70000
  111   114   115    37.50000  110.70000
  111   114   116    37.50000  110.70000
  111   114   117    37.50000  110.70000
  113   111   112    33.00000  107.80000
  114   111   112    37.50000  110.70000
  114   111   113    37.50000  110.70000
  116   114   115    33.00000  107.80000
  117   114   115    33.00000  107.80000
  117   114   116    33.00000  107.80000
   56    53    54    70.00000  124.00000
   56    61    62    55.00000  108.50000
   58    56    57    33.00000  107.80000
   61    56    57    35.00000  109.50000
   61    56    58    35.00000  109.50000
   42    38    39    37.50000  110.70000
   42    38    40    63.00000  111.10000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
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   70    83    51    46   0.20000  1.0 3.0
   70    83    51    52   0.15000  1.0 3.0
   70    83    92    93  -0.11600  1.0 1.0
   70    83    92    93  -0.09450 -1.0 2.0
   70    83    92    93   0.21250  1.0 3.0
   71    70    83    59   0.15000  1.0 3.0
   71    70    83    51   0.15000  1.0 3.0
   71    70    83    92   0.23400  1.0 3.0
   71    70    84    85   0.15000  1.0 3.0
   71    70    84    86   0.15000  1.0 3.0
   71    70    84    87   0.15000  1.0 3.0
   83    59    63    64   0.15000  1.0 3.0
   83    59   -63    65   0.07850  1.0 1.0
   83    59   -63    65  -0.03950 -1.0 2.0
   83    59   -63    65   0.67350  1.0 3.0
   83    59    63    68   0.07850  1.0 1.0
   83    59    63    68  -0.03950 -1.0 2.0
   83    59    63    68   0.67350  1.0 3.0
   83    70    84    85   0.15000  1.0 3.0
   83    70    84    86   0.15000  1.0 3.0
   83    70    84    87   0.15000  1.0 3.0
   51    33    38    39   0.15000  1.0 3.0
   51    33   -38    40  -0.95700  1.0 1.0
   51    33   -38    40  -0.18200 -1.0 2.0
   51    33   -38    40   0.29450  1.0 3.0
   51    33    38    42   0.56750  1.0 1.0
   51    33    38    42  -0.07550 -1.0 2.0
   51    33    38    42   0.20000  1.0 3.0
   51    46    48    49   0.15000  1.0 3.0
   51    46    48    50   0.15000  1.0 3.0
   51    46    48    53   0.34400  1.0 1.0
   51    46    48    53   0.09450 -1.0 2.0
   51    46    48    53   0.11100  1.0 3.0
   51    83    92    93  -0.11600  1.0 1.0
   51    83    92    93  -0.09450 -1.0 2.0
   51    83    92    93   0.21250  1.0 3.0
   92    83    51    33   0.86500  1.0 1.0
   92    83    51    33  -0.17500 -1.0 2.0
   92    83    51    33   0.20800  1.0 3.0
   92    83    51    46   0.86500  1.0 1.0
   92    83    51    46  -0.17500 -1.0 2.0
   92    83    51    46   0.20800  1.0 3.0
   92    83    51    52   0.23400  1.0 3.0
   84    70    83    59   0.56750  1.0 1.0
   84    70    83    59  -0.07550 -1.0 2.0
   84    70    83    59   0.20000  1.0 3.0
   84    70    83    51   0.56750  1.0 1.0
   84    70    83    51  -0.07550 -1.0 2.0
   84    70    83    51   0.20000  1.0 3.0
   84    70    83    92   0.86500  1.0 1.0
   84    70    83    92  -0.17500 -1.0 2.0
   84    70    83    92   0.20800  1.0 3.0
   72    66    70    71   0.23400  1.0 3.0
   72    66    70    83   0.62750  1.0 1.0
   72    66    70    83  -0.30950 -1.0 2.0
   72    66    70    83   0.27300  1.0 3.0
   72    66    70    84   0.62750  1.0 1.0
   72    66    70    84  -0.30950 -1.0 2.0
   72    66    70    84   0.27300  1.0 3.0
   72    88    94    95   0.00000  1.0 1.0
   72    88    94    96   0.00000  1.0 1.0
   72    88    94    97   0.00000  1.0 1.0
   89    88    94    95   0.00000  1.0 1.0
   89    88    94    96   0.00000  1.0 1.0
   89    88    94    97   0.00000  1.0 1.0
   68    63   -65    66   0.07850  1.0 1.0
   68    63   -65    66  -0.03950 -1.0 2.0
   68    63   -65    66   0.67350  1.0 3.0
   68    63   -65    69  -0.26800  1.0 1.0
   68    63   -65    69   0.69150 -1.0 2.0
   68    63   -65    69  -0.48750  1.0 3.0
   68    65    66    67   0.15000  1.0 3.0
   68    65    66    70   0.07850  1.0 1.0
   68    65    66    70  -0.03950 -1.0 2.0
   68    65    66    70   0.67350  1.0 3.0
   68    65    66    72  -0.26800  1.0 1.0
   68    65    66    72   0.69150 -1.0 2.0
   68    65    66    72  -0.48750  1.0 3.0
   68    65    69    81  -0.25900  1.0 1.0
   68    65    69    81  -0.47000 -1.0 2.0
   68    65    69    81   0.11750  1.0 3.0
   73    68    77    78   0.15000  1.0 3.0
   73    68    77    79   0.15000  1.0 3.0
   73    68    77    80   0.15000  1.0 3.0
   77    68    73    74   0.15000  1.0 3.0
   77    68    73    75   0.15000  1.0 3.0
   77    68    73    76   0.15000  1.0 3.0
   69    65    66    67   0.23400  1.0 3.0
   69    65    66    70   0.62750  1.0 1.0
   69    65    66    70  -0.30950 -1.0 2.0
   69    65    66    70   0.27300  1.0 3.0
   69    65    66    72   1.11900  1.0 1.0
   69    65    66    72  -1.16350 -1.0 2.0
   69    65    66    72  -0.34150  1.0 3.0
   69    65   -68    63  -0.26800  1.0 1.0
   69    65   -68    63   0.69150 -1.0 2.0
   69    65   -68    63  -0.48750  1.0 3.0
   69    65    68    73   0.62750  1.0 1.0
   69    65    68    73  -0.30950 -1.0 2.0
   69    65    68    73   0.27300  1.0 3.0
   69    65    68    77   0.62750  1.0 1.0
   69    65    68    77  -0.30950 -1.0 2.0
   69    65    68    77   0.27300  1.0 3.0
   69    81    90    91   1.63100 -1.0 2.0
   69    81    90    98  -0.56150  1.0 1.0
   69    81    90    98   2.19150 -1.0 2.0
   81    90    98    99   7.00000 -1.0 2.0
   81    90    98   100   7.00000 -1.0 2.0
   82    81    90    91   0.00000  1.0 1.0
   82    81    90    98   1.00000 -1.0 2.0
   90    98   100   101  -0.18600  1.0 3.0
   90    98   100   102   0.28850  1.0 1.0
   90    98   100   102   2.61350 -1.0 2.0
   90    98   100   102   0.78400  1.0 3.0
   91    90    98    99   7.00000 -1.0 2.0
   91    90    98   100   7.00000 -1.0 2.0
   98   100   102   103   7.00000 -1.0 2.0
   98   100   102   104   7.00000 -1.0 2.0
   99    98   100   101   0.00000  1.0 1.0
   99    98   100   102  -0.18600  1.0 3.0
  100   102   104   105  -0.18600  1.0 3.0
  100   102   104   106   0.28850  1.0 1.0
  100   102   104   106   2.61350 -1.0 2.0
  100   102   104   106   0.78400  1.0 3.0
  101   100   102   103   7.00000 -1.0 2.0
  101   100   102   104   7.00000 -1.0 2.0
  102   104   106   107   7.00000 -1.0 2.0
  102   104   106   108   7.00000 -1.0 2.0
  103   102   104   105   0.00000  1.0 1.0
  103   102   104   106  -0.18600  1.0 3.0
  104   106   108   109   0.00000  1.0 1.0
  104   106   108   110   0.00000  1.0 1.0
  104   106   108   111   0.09850  1.0 1.0
  104   106   108   111   0.15250 -1.0 2.0
  104   106   108   111  -0.50650  1.0 3.0
  105   104   106   107   7.00000 -1.0 2.0
  105   104   106   108   7.00000 -1.0 2.0
  106   108   111   112   0.15000  1.0 3.0
  106   108   111   113   0.15000  1.0 3.0
  106   108   111   114   0.34400  1.0 1.0
  106   108   111   114   0.09450 -1.0 2.0
  106   108   111   114   0.11100  1.0 3.0
  107   106   108   109   0.33100  1.0 3.0
  107   106   108   110   0.33100  1.0 3.0
  107   106   108   111   0.00000  1.0 1.0
  108   111   114   115   0.15000  1.0 3.0
  108   111   114   116   0.15000  1.0 3.0
  108   111   114   117   0.15000  1.0 3.0
  109   108   111   112   0.15000  1.0 3.0
  109   108   111   113   0.15000  1.0 3.0
  109   108   111   114   0.15000  1.0 3.0
  110   108   111   112   0.15000  1.0 3.0
  110   108   111   113   0.15000  1.0 3.0
  110   108   111   114   0.15000  1.0 3.0
  112   111   114   115   0.15000  1.0 3.0
  112   111   114   116   0.15000  1.0 3.0
  112   111   114   117   0.15000  1.0 3.0
  113   111   114   115   0.15000  1.0 3.0
  113   111   114   116   0.15000  1.0 3.0
  113   111   114   117   0.15000  1.0 3.0
   56    53    54    55   7.00000 -1.0 2.0
   56    53    54    59   7.00000 -1.0 2.0
   57    56    61    62   0.19450  1.0 3.0
   58    56    61    62   0.19450  1.0 3.0
   42    38    40    41   0.30150 -1.0 2.0
   42    38    40    46   0.60050  1.0 1.0
   42    38    40    46   0.05600 -1.0 2.0
   42    38    40    46   0.26150  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
   36    30    35    37  10.50000 -1.0 2.0
   38    46    40    41  10.50000 -1.0 2.0
   48    56    53    54   1.10000 -1.0 2.0
   59    55    54    53   1.10000 -1.0 2.0
   72    94    88    89  10.50000 -1.0 2.0
   69    90    81    82  10.50000 -1.0 2.0
   81    91    90    98  15.00000 -1.0 2.0
  100    99    98    90  15.00000 -1.0 2.0
   98   101   100   102  15.00000 -1.0 2.0
  104   103   102   100  15.00000 -1.0 2.0
  102   105   104   106  15.00000 -1.0 2.0
  108   107   106   104  15.00000 -1.0 2.0
END
