* LIGAND DATABASE FILE (OPLS2005)
*
001     115   118    231    374     701
    1     0 S   NP   _N1_     1    28.66029    94.13469   -25.44095
    2     1 S   H    _HN1     2     1.02786   116.28716   -85.69203
    3     1 S   H    _H1_     3     1.02950    79.57490    19.75998
    4     1 S   H    _H2_     4     1.02828    27.56122  -163.81376
    5     1 S   CT   _CA1     5     1.50118   123.81027   127.41353
    6     5 S   HC   _HA1     6     1.09575   105.18545    86.71993
    7     5 S   CO3  _C1_     7     1.53783   112.45742   -33.49001
    8     7 S   O2Z  _O11     8     1.26372   115.00587   -42.65762
    9     7 S   O2Z  _O12     9     1.26241   114.94214   136.43101
   10     5 S   CT   _CB1    10     1.53076   107.41382  -155.32108
   11    10 S   HC   HB11    11     1.09833   109.34605   -49.80855
   12    10 S   HC   HB12    12     1.09812   110.46206    66.79379
   13    10 S   CT   _CG1    13     1.52990   112.61104  -170.78962
   14    13 S   HC   HG11    14     1.09584   110.63365   -66.10790
   15    13 S   HC   HG12    15     1.09671   109.77969    53.12055
   16    13 S   C    _CD1    16     1.51805   112.21354   173.55326
   17    16 S   O    _OE1    17     1.22733   123.28747     7.29880
   18    16 S   N    _N2_    18     1.38647   111.67046  -172.73672
   19    18 S   H    _HN2    19     1.01577   118.93041     1.57072
   20    18 S   CT1  _CA2    20     1.46225   123.41978   177.39857
   21    20 S   HC   _HA2    21     1.09740   109.38928     3.59603
   22    20 S   C    _C2_    22     1.53595   108.60956  -111.88426
   23    22 S   O    _O2_    23     1.23065   122.28031  -147.96083
   24    20 S   CT   _CB2    32     1.53540   111.54662   125.67688
   25    24 S   HC   HB21    33     1.09343   109.25116    56.12959
   26    24 S   HC   HB22    34     1.09357   109.54462   174.96238
   27    22 S   N    _N3_    24     1.38326   113.73475    39.48726
   28    27 S   H    _HN3    25     1.01577   119.58705    -3.27901
   29    24 S   S    _SG2    35     1.83019   110.92027   -65.10256
   30    27 S   CT   _CA3    26     1.45284   123.23001   177.16614
   31    30 S   HC   HA31    27     1.09548   107.50602   -64.74384
   32    30 S   HC   HA32    28     1.09556   107.99338    51.69913
   33    29 S   CT   _C8_    36     1.89963   102.83591   178.38154
   34    30 S   CO3  _C3_    29     1.52964   114.07195   173.70023
   35    34 S   O2Z  _O31    30     1.26377   116.07169    -0.64468
   36    34 S   O2Z  _O32    31     1.26428   114.41161   179.41383
   37    33 S   CT   _C7_    37     1.57278   106.27348    56.25443
   38    37 S   HC   _H15    38     1.09768   109.10635    33.92231
   39    37 S   HC   _H16    39     1.09748   108.69184   -81.57434
   40    33 S   CT   _C11    98     1.59105   108.55966   -62.62928
   41    40 S   HC   _H21    99     1.09738   107.19648    63.84719
   42    33 S   CT   _C9_   108     1.57368   106.57701   174.84224
   43    42 S   HC   _H4_   109     1.09486   108.71438  -177.30405
   44    37 S   CT   _C6_    40     1.54384   117.64119   154.94379
   45    44 S   HC   _H13    41     1.09595   109.64843   -78.19910
   46    44 S   HC   _H14    42     1.08925   109.69260    37.59735
   47    40 S   CT   _C12   100     1.53597   114.56519   179.38388
   48    47 S   HC   _H22   101     1.09340   112.09238    55.54629
   49    47 S   HC   _H23   102     1.09290   111.20867   -67.15289
   50    47 S   HC   _H24   103     1.09642   110.76105   175.39559
   51    40 S   CT   _C13   104     1.54043   116.62134   -54.01969
   52    51 S   HC   _H25   105     1.09351   112.13260   -75.15457
   53    51 S   HC   _H26   106     1.09701   109.68596   166.85933
   54    51 S   HC   _H27   107     1.09204   113.19689    48.31540
   55    42 S   CT   _C10   110     1.53427   116.17868   -55.92707
   56    55 S   HC   _H17   111     1.09497   111.85176    74.23331
   57    55 S   HC   _H18   112     1.09148   113.16247   -49.07413
   58    55 S   HC   _H19   113     1.09655   109.50383  -169.20023
   59    42 S   OH   _O33   114     1.42871   111.27214    66.70523
   60    59 S   HO   _H20   115     0.97233   107.86744   176.59262
   61    44 S   CT   _C5_    43     1.55592   113.70623   160.23699
   62    61 S   HC   _H3_    44     1.09750   107.43110   -56.16648
   63    61 S   CT   _C14    45     1.55850   110.16924  -174.33656
   64    63 S   HC   _H5_    46     1.10088   107.06880   -57.78152
   65    61 S   CT   _C4_    94     1.53195   110.24867    61.13159
   66    65 S   HC   _H10    95     1.09482   111.24252    68.92378
   67    65 S   HC   _H11    96     1.09135   111.37963  -169.65023
   68    65 S   HC   _H12    97     1.09364   111.94288   -51.98930
   69    63 S   CT   _C15    47     1.55923   111.87496    59.17290
   70    69 S   HC   _H28    48     1.09600   112.00584    29.36658
   71    69 S   HC   _H29    49     1.09598   110.18459   -90.27997
   72    69 S   CT   _C16    50     1.53315   107.37671   149.45848
   73    72 S   HC   _H30    51     1.09478   111.29768   130.33521
   74    72 S   HC   _H31    52     1.09576   110.50674  -110.26105
   75    72 S   CT   _C17    53     1.51998   103.79762     9.47646
   76    75 S   HC   _H6_    54     1.10342   106.00703    78.03925
   77    75 S   CT   _C22    55     1.53355   117.83056  -162.94854
   78    77 S   HC   _H8_    56     1.09595   109.22821    60.77446
   79    77 S   CT   _C23    57     1.53689   110.79846   -57.57853
   80    79 S   HC   _H36    58     1.09672   109.04455    74.28346
   81    79 S   HC   _H37    59     1.09715   110.61687   -42.86448
   82    77 S   CT   _C21    75     1.55319   109.58521  -179.20377
   83    82 S   HC   _H7_    76     1.10234   105.85899    65.73813
   84    79 S   CM   _C24    60     1.49523   113.68862  -164.35553
   85    84 S   HC   _H38    61     1.08757   115.69441  -166.44538
   86    82 S   CT   _C20    77     1.54946   112.31454   -48.73920
   87    86 S   HC   _H34    78     1.09382   110.65268   -74.19758
   88    86 S   HC   _H35    79     1.09590   109.66587   168.97575
   89    84 S   CM   _C25    62     1.34440   124.70296    13.34017
   90    86 S   CT   _C19    80     1.53887   113.92196    47.96890
   91    90 S   HC   _H32    81     1.09768   108.72461    68.29327
   92    90 S   HC   _H33    82     1.09286   107.95814  -176.79710
   93    89 S   CT   _C30    63     1.51172   119.97874  -178.82630
   94    93 S   HC   _H43    64     1.09785   111.60655    -7.25326
   95    93 S   HC   _H44    65     1.09741   109.60793   108.40979
   96    63 S   CT   _C18    83     1.56173   119.75653   179.51141
   97    93 S   CT   _C29    66     1.52584   111.90285  -129.34916
   98    97 S   HC   _H9_    67     1.09695   109.72465    68.56252
   99    96 S   CT   _C32    84     1.54752   110.89553   -45.03425
  100    99 S   HC   _H49    85     1.09461   112.36025   -46.95722
  101    99 S   HC   _H50    86     1.09311   112.76924  -167.63657
  102    99 S   HC   _H51    87     1.09460   111.00553    72.86037
  103    97 S   CT   _C28    68     1.52544   111.17531   -53.37197
  104   103 S   HC   _H41    69     1.09694   110.18956   -66.93303
  105   103 S   HC   _H42    70     1.09706   109.56956   177.63355
  106    97 S   OH   _O34    92     1.42434   108.63566  -173.89221
  107   106 S   HO   _H45    93     0.97246   107.51745  -179.64668
  108   103 S   CT   _C27    71     1.52814   111.23984    56.21417
  109   108 S   HC   _H39    72     1.09862   107.78312    67.04984
  110   108 S   HC   _H40    73     1.09652   108.16760  -178.39015
  111    89 S   CT   _C26    74     1.53507   122.87853     1.49802
  112   111 S   CT   _C31    88     1.54770   107.99378  -107.87550
  113   112 S   HC   _H46    89     1.09479   111.68111  -171.48440
  114   112 S   HC   _H47    90     1.09485   111.80076    67.50651
  115   112 S   HC   _H48    91     1.09516   112.35705   -52.45674
  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
  25   2   1   1  17   7   6  14   9  10   6  12   5   4   7   3
   2   1   3   2   1   1   5   3   2   1   1   1  15   8  23   9
   5   2   1   1  11   6   5  11   5   4  19   7  18   9  11   5
   4  20   8   9   3  11   6   5  15   8   3   2  12   6   5   4
  10   6   3   2   1   1   9   6   5   2   1   7   3   2   4   3
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    44    40    41    47    51    42    43    55    59  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    44    45    46    61    40    41    47    48    49    50    51    52    53    54    42    43    55    56    57    58    59    60  
   35    36  
   36  
    0  
   38    39    44    45    46    61    62    63    65    40    41    47    51    42    43    55    59  
   39    44    45    46    61    40    42  
   44    45    46    61    40    42  
   41    47    48    49    50    51    52    53    54    42    43    55    59    44  
   47    48    49    50    51    52    53    54    42  
   43    55    56    57    58    59    60    44    47    51  
   55    56    57    58    59    60  
   45    46    61    62    63    64    69    96    65    66    67    68  
   46    61    62    63    65  
   61    62    63    65  
   48    49    50    51    52    53    54  
   49    50    51  
   50    51  
   51  
   52    53    54  
   53    54  
   54  
    0  
   56    57    58    59    60  
   57    58    59  
   58    59  
   59  
   60  
    0  
   62    63    64    69    70    71    72    75    90    96    99    65    66    67    68  
   63    64    69    96    65    66    67    68  
   64    69    70    71    72    73    74    75    76    77    86    90    91    92    96    99   100   101   102    65    66    67    68  
   69    70    71    72    75    90    96    99    65  
   66    67    68    69    96  
   67    68  
   68  
    0  
   70    71    72    73    74    75    76    77    90    96    99  
   71    72    73    74    75    96  
   72    73    74    75    96  
   73    74    75    76    77    78    79    82    90    96    99  
   74    75    76    77    96  
   75    76    77    96  
   76    77    78    79    80    81    84   111    82    83    86    90    91    92    96    99   100   101   102  
   77    78    79    82    90    96    99  
   78    79    80    81    84    85    89   108   111    82    83    86    87    88    90    96    99   112  
   79    80    81    84   111    82    83    86    96  
   80    81    84    85    89    93   111    82    83    86    96  
   81    84    85    89    82  
   84    85    89    82  
   83    86    87    88    90    91    92    96   112   113   114   115    84    89    93   103   108   109   110   111  
   86    87    88    90   112    89   108   111  
   85    89    93    94    95    97   108   111   112  
   89    93   111  
   87    88    90    91    92    96    99   112    89   108   111  
   88    90    91    92    96   111  
   90    91    92    96   111  
   93    94    95    97    98   103   108   109   110   111   112   113   114   115   106  
   91    92    96    99   100   101   102   111  
   92    96    99  
   96    99  
   94    95    97    98   103   104   105   108   111   112   106   107  
   95    97    98   103   111   106  
   97    98   103   111   106  
   99   100   101   102  
   98   103   104   105   108   109   110   111   106   107  
  103   104   105   108   106   107  
  100   101   102  
  101   102  
  102  
    0  
  104   105   108   109   110   111   112   106   107  
  105   108   109   110   111   106  
  108   109   110   111   106  
  107   108  
    0  
  109   110   111   112   113   114   115  
  110   111   112  
  111   112  
  112   113   114   115  
  113   114   115  
  114   115  
  115  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   90   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.120000   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   97   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  100   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  102   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  103   3.5000   0.0660  -0.120000   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
  107   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
  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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
  112   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  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   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    40   268.000  1.529
   33    42   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    44   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    61   268.000  1.529
   61    62   340.000  1.090
   61    63   268.000  1.529
   61    65   268.000  1.529
   63    64   340.000  1.090
   63    69   268.000  1.529
   63    96   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   268.000  1.529
   75    76   340.000  1.090
   75    77   268.000  1.529
   75    96   268.000  1.529
   77    78   340.000  1.090
   77    79   268.000  1.529
   77    82   268.000  1.529
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    84   317.000  1.510
   84    85   340.000  1.080
   84    89   549.000  1.340
   89    93   317.000  1.510
   89   111   317.000  1.510
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    97   268.000  1.529
   97    98   340.000  1.090
   97   103   268.000  1.529
   97   106   320.000  1.410
  103   104   340.000  1.090
  103   105   340.000  1.090
  103   108   268.000  1.529
  108   109   340.000  1.090
  108   110   340.000  1.090
  108   111   268.000  1.529
  111    82   268.000  1.529
  111   112   268.000  1.529
   82    83   340.000  1.090
   82    86   268.000  1.529
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    90   268.000  1.529
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    96   268.000  1.529
   96    99   268.000  1.529
   99   100   340.000  1.090
   99   101   340.000  1.090
   99   102   340.000  1.090
  112   113   340.000  1.090
  112   114   340.000  1.090
  112   115   340.000  1.090
  106   107   553.000  0.945
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   40    41   340.000  1.090
   40    47   268.000  1.529
   40    51   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   42    43   340.000  1.090
   42    55   268.000  1.529
   42    59   320.000  1.410
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   59    60   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    40    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    44    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    47    58.35000  112.70000
   33    40    51    58.35000  112.70000
   33    42    43    37.50000  110.70000
   33    42    55    58.35000  112.70000
   33    42    59    50.00000  109.50000
   37    44    45    37.50000  110.70000
   37    44    46    37.50000  110.70000
   37    44    61    58.35000  112.70000
   39    37    38    33.00000  107.80000
   44    37    38    37.50000  110.70000
   44    37    39    37.50000  110.70000
   44    61    62    37.50000  110.70000
   44    61    63    58.35000  112.70000
   44    61    65    58.35000  112.70000
   46    44    45    33.00000  107.80000
   61    44    45    37.50000  110.70000
   61    44    46    37.50000  110.70000
   61    63    64    37.50000  110.70000
   61    63    69    58.35000  112.70000
   61    63    96    58.35000  112.70000
   61    65    66    37.50000  110.70000
   61    65    67    37.50000  110.70000
   61    65    68    37.50000  110.70000
   63    61    62    37.50000  110.70000
   63    69    70    37.50000  110.70000
   63    69    71    37.50000  110.70000
   63    69    72    58.35000  112.70000
   63    96    75    58.35000  112.70000
   63    96    90    58.35000  112.70000
   63    96    99    58.35000  112.70000
   69    63    64    37.50000  110.70000
   69    72    73    37.50000  110.70000
   69    72    74    37.50000  110.70000
   69    72    75    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    37.50000  110.70000
   72    69    71    37.50000  110.70000
   72    75    76    37.50000  110.70000
   72    75    77    58.35000  112.70000
   72    75    96    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    72    73    37.50000  110.70000
   75    72    74    37.50000  110.70000
   75    77    78    37.50000  110.70000
   75    77    79    58.35000  112.70000
   75    77    82    58.35000  112.70000
   75    96    90    58.35000  112.70000
   75    96    99    58.35000  112.70000
   77    75    76    37.50000  110.70000
   77    79    80    37.50000  110.70000
   77    79    81    37.50000  110.70000
   77    79    84    70.00000  112.02700
   77    82   111    58.35000  112.70000
   77    82    83    37.50000  110.70000
   77    82    86    58.35000  112.70000
   79    77    78    37.50000  110.70000
   79    84    85    35.00000  117.00000
   79    84    89    70.00000  124.00000
   81    79    80    33.00000  107.80000
   84    79    80    35.00000  109.50000
   84    79    81    35.00000  109.50000
   84    89    93    70.00000  124.00000
   84    89   111    70.00000  124.00000
   89    84    85    35.00000  120.00000
   89    93    94    35.00000  109.50000
   89    93    95    35.00000  109.50000
   89    93    97    70.00000  112.02700
   89   111   108    70.00000  112.02700
   89   111    82    70.00000  112.02700
   89   111   112    70.00000  112.02700
   93    97    98    37.50000  110.70000
   93    97   103    58.35000  112.70000
   93    97   106    50.00000  109.50000
   95    93    94    33.00000  107.80000
   97    93    94    37.50000  110.70000
   97    93    95    37.50000  110.70000
   97   103   104    37.50000  110.70000
   97   103   105    37.50000  110.70000
   97   103   108    58.35000  112.70000
   97   106   107    55.00000  108.50000
  103    97    98    37.50000  110.70000
  103   108   109    37.50000  110.70000
  103   108   110    37.50000  110.70000
  103   108   111    58.35000  112.70000
  105   103   104    33.00000  107.80000
  108   103   104    37.50000  110.70000
  108   103   105    37.50000  110.70000
  108   111    82    58.35000  112.70000
  108   111   112    58.35000  112.70000
  110   108   109    33.00000  107.80000
  111    89    93    65.00000  117.92700
  111   108   109    37.50000  110.70000
  111   108   110    37.50000  110.70000
  111    82    83    37.50000  110.70000
  111    82    86    58.35000  112.70000
  111   112   113    37.50000  110.70000
  111   112   114    37.50000  110.70000
  111   112   115    37.50000  110.70000
   82    77    78    37.50000  110.70000
   82    77    79    58.35000  112.70000
   82    86    87    37.50000  110.70000
   82    86    88    37.50000  110.70000
   82    86    90    58.35000  112.70000
   86    82    83    37.50000  110.70000
   86    90    91    37.50000  110.70000
   86    90    92    37.50000  110.70000
   86    90    96    58.35000  112.70000
   88    86    87    33.00000  107.80000
   90    86    87    37.50000  110.70000
   90    86    88    37.50000  110.70000
   90    96    99    58.35000  112.70000
   92    90    91    33.00000  107.80000
   96    63    64    37.50000  110.70000
   96    63    69    58.35000  112.70000
   96    75    76    37.50000  110.70000
   96    75    77    58.35000  112.70000
   96    90    91    37.50000  110.70000
   96    90    92    37.50000  110.70000
   96    99   100    37.50000  110.70000
   96    99   101    37.50000  110.70000
   96    99   102    37.50000  110.70000
  101    99   100    33.00000  107.80000
  102    99   100    33.00000  107.80000
  102    99   101    33.00000  107.80000
  112   111    82    58.35000  112.70000
  114   112   113    33.00000  107.80000
  115   112   113    33.00000  107.80000
  115   112   114    33.00000  107.80000
  106    97    98    35.00000  109.50000
  106    97   103    50.00000  109.50000
   65    61    62    37.50000  110.70000
   65    61    63    58.35000  112.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    47    48    37.50000  110.70000
   40    47    49    37.50000  110.70000
   40    47    50    37.50000  110.70000
   40    51    52    37.50000  110.70000
   40    51    53    37.50000  110.70000
   40    51    54    37.50000  110.70000
   47    40    41    37.50000  110.70000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   51    40    41    37.50000  110.70000
   51    40    47    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   42    33    37    58.35000  112.70000
   42    33    40    58.35000  112.70000
   42    55    56    37.50000  110.70000
   42    55    57    37.50000  110.70000
   42    55    58    37.50000  110.70000
   42    59    60    55.00000  108.50000
   55    42    43    37.50000  110.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   59    42    43    35.00000  109.50000
   59    42    55    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
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   93    89   111   112   0.46850  1.0 1.0
   93    89   111   112   0.08550 -1.0 2.0
   93    89   111   112   0.09800  1.0 3.0
   93    97   103   104   0.15000  1.0 3.0
   93    97   103   105   0.15000  1.0 3.0
   93    97  -103   108   0.56750  1.0 1.0
   93    97  -103   108  -0.07550 -1.0 2.0
   93    97  -103   108   0.20000  1.0 3.0
   93    97   106   107  -0.11600  1.0 1.0
   93    97   106   107  -0.09450 -1.0 2.0
   93    97   106   107   0.21250  1.0 3.0
   94    93    97    98   0.15000  1.0 3.0
   94    93    97   103   0.15000  1.0 3.0
   94    93    97   106   0.23400  1.0 3.0
   95    93    97    98   0.15000  1.0 3.0
   95    93    97   103   0.15000  1.0 3.0
   95    93    97   106   0.23400  1.0 3.0
   97   103   108   109   0.15000  1.0 3.0
   97   103   108   110   0.15000  1.0 3.0
   97   103   108   111   0.56750  1.0 1.0
   97   103   108   111  -0.07550 -1.0 2.0
   97   103   108   111   0.20000  1.0 3.0
   98    97   103   104   0.15000  1.0 3.0
   98    97   103   105   0.15000  1.0 3.0
   98    97   103   108   0.15000  1.0 3.0
   98    97   106   107   0.19450  1.0 3.0
  103    97   106   107  -0.11600  1.0 1.0
  103    97   106   107  -0.09450 -1.0 2.0
  103    97   106   107   0.21250  1.0 3.0
  103   108  -111    89   0.34400  1.0 1.0
  103   108  -111    89   0.09450 -1.0 2.0
  103   108  -111    89   0.11100  1.0 3.0
  103   108   111    82   0.56750  1.0 1.0
  103   108   111    82  -0.07550 -1.0 2.0
  103   108   111    82   0.20000  1.0 3.0
  103   108   111   112   0.56750  1.0 1.0
  103   108   111   112  -0.07550 -1.0 2.0
  103   108   111   112   0.20000  1.0 3.0
  104   103   108   109   0.15000  1.0 3.0
  104   103   108   110   0.15000  1.0 3.0
  104   103   108   111   0.15000  1.0 3.0
  105   103   108   109   0.15000  1.0 3.0
  105   103   108   110   0.15000  1.0 3.0
  105   103   108   111   0.15000  1.0 3.0
  108   111    82    77   0.56750  1.0 1.0
  108   111    82    77  -0.07550 -1.0 2.0
  108   111    82    77   0.20000  1.0 3.0
  108   111    82    83   0.15000  1.0 3.0
  108   111    82    86   0.56750  1.0 1.0
  108   111    82    86  -0.07550 -1.0 2.0
  108   111    82    86   0.20000  1.0 3.0
  108   111   112   113   0.15000  1.0 3.0
  108   111   112   114   0.15000  1.0 3.0
  108   111   112   115   0.15000  1.0 3.0
  109   108   111    89   0.15000  1.0 3.0
  109   108   111    82   0.15000  1.0 3.0
  109   108   111   112   0.15000  1.0 3.0
  110   108   111    89   0.15000  1.0 3.0
  110   108   111    82   0.15000  1.0 3.0
  110   108   111   112   0.15000  1.0 3.0
  111    89    93    94   0.34800  1.0 3.0
  111    89    93    95   0.34800  1.0 3.0
  111    89   -93    97   0.46850  1.0 1.0
  111    89   -93    97   0.08550 -1.0 2.0
  111    89   -93    97   0.09800  1.0 3.0
  111    82    86    87   0.15000  1.0 3.0
  111    82    86    88   0.15000  1.0 3.0
  111    82    86    90   0.56750  1.0 1.0
  111    82    86    90  -0.07550 -1.0 2.0
  111    82    86    90   0.20000  1.0 3.0
   82    77    79    80   0.15000  1.0 3.0
   82    77    79    81   0.15000  1.0 3.0
   82    77   -79    84   0.34400  1.0 1.0
   82    77   -79    84   0.09450 -1.0 2.0
   82    77   -79    84   0.11100  1.0 3.0
   82   111   112   113   0.15000  1.0 3.0
   82   111   112   114   0.15000  1.0 3.0
   82   111   112   115   0.15000  1.0 3.0
   82    86    90    91   0.15000  1.0 3.0
   82    86    90    92   0.15000  1.0 3.0
   82    86    90    96   0.56750  1.0 1.0
   82    86    90    96  -0.07550 -1.0 2.0
   82    86    90    96   0.20000  1.0 3.0
   83    82    86    87   0.15000  1.0 3.0
   83    82    86    88   0.15000  1.0 3.0
   83    82    86    90   0.15000  1.0 3.0
   86    90    96    63   0.56750  1.0 1.0
   86    90    96    63  -0.07550 -1.0 2.0
   86    90    96    63   0.20000  1.0 3.0
   86    90   -96    75   0.56750  1.0 1.0
   86    90   -96    75  -0.07550 -1.0 2.0
   86    90   -96    75   0.20000  1.0 3.0
   86    90    96    99   0.56750  1.0 1.0
   86    90    96    99  -0.07550 -1.0 2.0
   86    90    96    99   0.20000  1.0 3.0
   87    86    90    91   0.15000  1.0 3.0
   87    86    90    92   0.15000  1.0 3.0
   87    86    90    96   0.15000  1.0 3.0
   88    86    90    91   0.15000  1.0 3.0
   88    86    90    92   0.15000  1.0 3.0
   88    86    90    96   0.15000  1.0 3.0
   90    96    99   100   0.15000  1.0 3.0
   90    96    99   101   0.15000  1.0 3.0
   90    96    99   102   0.15000  1.0 3.0
   91    90    96    63   0.15000  1.0 3.0
   91    90    96    75   0.15000  1.0 3.0
   91    90    96    99   0.15000  1.0 3.0
   92    90    96    63   0.15000  1.0 3.0
   92    90    96    75   0.15000  1.0 3.0
   92    90    96    99   0.15000  1.0 3.0
   96    63    69    70   0.15000  1.0 3.0
   96    63    69    71   0.15000  1.0 3.0
   96    63   -69    72   0.56750  1.0 1.0
   96    63   -69    72  -0.07550 -1.0 2.0
   96    63   -69    72   0.20000  1.0 3.0
   96    75    77    78   0.15000  1.0 3.0
   96    75    77    79   0.56750  1.0 1.0
   96    75    77    79  -0.07550 -1.0 2.0
   96    75    77    79   0.20000  1.0 3.0
   96    75   -77    82   0.56750  1.0 1.0
   96    75   -77    82  -0.07550 -1.0 2.0
   96    75   -77    82   0.20000  1.0 3.0
  112   111    82    77   0.56750  1.0 1.0
  112   111    82    77  -0.07550 -1.0 2.0
  112   111    82    77   0.20000  1.0 3.0
  112   111    82    83   0.15000  1.0 3.0
  112   111    82    86   0.56750  1.0 1.0
  112   111    82    86  -0.07550 -1.0 2.0
  112   111    82    86   0.20000  1.0 3.0
  106    97   103   104   0.23400  1.0 3.0
  106    97   103   105   0.23400  1.0 3.0
  106    97   103   108   0.86500  1.0 1.0
  106    97   103   108  -0.17500 -1.0 2.0
  106    97   103   108   0.20800  1.0 3.0
   65    61    63    64   0.15000  1.0 3.0
   65    61    63    69   0.56750  1.0 1.0
   65    61    63    69  -0.07550 -1.0 2.0
   65    61    63    69   0.20000  1.0 3.0
   65    61    63    96   0.56750  1.0 1.0
   65    61    63    96  -0.07550 -1.0 2.0
   65    61    63    96   0.20000  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    44   0.56750  1.0 1.0
   40    33    37    44  -0.07550 -1.0 2.0
   40    33    37    44   0.20000  1.0 3.0
   40    33    42    43   0.15000  1.0 3.0
   40    33    42    55   0.56750  1.0 1.0
   40    33    42    55  -0.07550 -1.0 2.0
   40    33    42    55   0.20000  1.0 3.0
   40    33    42    59   0.86500  1.0 1.0
   40    33    42    59  -0.17500 -1.0 2.0
   40    33    42    59   0.20800  1.0 3.0
   41    40    47    48   0.15000  1.0 3.0
   41    40    47    49   0.15000  1.0 3.0
   41    40    47    50   0.15000  1.0 3.0
   41    40    51    52   0.15000  1.0 3.0
   41    40    51    53   0.15000  1.0 3.0
   41    40    51    54   0.15000  1.0 3.0
   47    40    51    52   0.15000  1.0 3.0
   47    40    51    53   0.15000  1.0 3.0
   47    40    51    54   0.15000  1.0 3.0
   51    40    47    48   0.15000  1.0 3.0
   51    40    47    49   0.15000  1.0 3.0
   51    40    47    50   0.15000  1.0 3.0
   42    33    37    38   0.15000  1.0 3.0
   42    33    37    39   0.15000  1.0 3.0
   42    33    37    44   0.56750  1.0 1.0
   42    33    37    44  -0.07550 -1.0 2.0
   42    33    37    44   0.20000  1.0 3.0
   42    33    40    41   0.15000  1.0 3.0
   42    33    40    47   0.56750  1.0 1.0
   42    33    40    47  -0.07550 -1.0 2.0
   42    33    40    47   0.20000  1.0 3.0
   42    33    40    51   0.56750  1.0 1.0
   42    33    40    51  -0.07550 -1.0 2.0
   42    33    40    51   0.20000  1.0 3.0
   43    42    55    56   0.15000  1.0 3.0
   43    42    55    57   0.15000  1.0 3.0
   43    42    55    58   0.15000  1.0 3.0
   43    42    59    60   0.19450  1.0 3.0
   55    42    59    60  -0.11600  1.0 1.0
   55    42    59    60  -0.09450 -1.0 2.0
   55    42    59    60   0.21250  1.0 3.0
   59    42    55    56   0.23400  1.0 3.0
   59    42    55    57   0.23400  1.0 3.0
   59    42    55    58   0.23400  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
   79    85    84    89   1.10000 -1.0 2.0
   93   111    89    84   1.10000 -1.0 2.0
END
