* LIGAND DATABASE FILE (OPLS2005)
*
001     106   109    202    320     605
    1     0 S   NP   _N1_     1    29.77464    93.53948   -26.38601
    2     1 S   H    _HN1     2     1.02777   118.71686  -102.84343
    3     1 S   H    _H1_     3     1.02958    89.60718     7.94619
    4     1 S   H    _H2_     4     1.02834    17.91186  -159.06010
    5     1 S   CT   _CA1     5     1.50135   114.82441   120.32694
    6     5 S   HC   _HA1     6     1.09565   105.28059    78.27205
    7     5 S   CO3  _C1_     7     1.53787   112.34889   -42.09501
    8     7 S   O2Z  _O11     8     1.26371   114.98928   -43.81483
    9     7 S   O2Z  _O12     9     1.26234   114.92038   135.33681
   10     5 S   CT   _CB1    10     1.53016   107.36774  -163.70483
   11    10 S   HC   HB11    11     1.09821   109.41527   -49.88691
   12    10 S   HC   HB12    12     1.09746   110.23373    66.66119
   13    10 S   CT   _CG1    13     1.52994   112.83786  -171.14852
   14    13 S   HC   HG11    14     1.09587   110.46591   -62.80990
   15    13 S   HC   HG12    15     1.09631   110.08546    56.55002
   16    13 S   C    _CD1    16     1.51720   112.03739   176.84278
   17    16 S   O    _OE1    17     1.22723   123.28965    -4.43809
   18    16 S   N    _N2_    18     1.38592   111.96044   176.05861
   19    18 S   H    _HN2    19     1.01573   119.10661     3.88454
   20    18 S   CT1  _CA2    20     1.46041   123.12383  -178.16666
   21    20 S   HC   _HA2    21     1.09651   109.25522     8.64432
   22    20 S   C    _C2_    22     1.53499   109.01489  -106.80762
   23    22 S   O    _O2_    23     1.23055   122.11316  -141.07403
   24    20 S   CT   _CB2    32     1.53368   111.72401   130.44938
   25    24 S   HC   HB21    33     1.09654   109.79471    65.84039
   26    24 S   HC   HB22    34     1.09591   110.43480  -177.01181
   27    22 S   N    _N3_    24     1.38461   113.66314    46.11195
   28    27 S   H    _HN3    25     1.01462   119.18224     0.50822
   29    24 S   S    _SG2    35     1.82960   115.40888   -54.30510
   30    27 S   CT   _CA3    26     1.45449   123.27963   175.22271
   31    30 S   HC   HA31    27     1.09529   109.13917    27.04881
   32    30 S   HC   HA32    28     1.09492   107.15634   144.04647
   33    29 S   CT   _C30    36     1.83879   100.18449   -56.80677
   34    33 S   HC   _H3_    37     1.09399   107.45334   -43.40246
   35    33 S   HC   _H4_    38     1.08790   104.83671    73.97572
   36    30 S   CO3  _C3_    29     1.52935   113.13080   -96.34980
   37    36 S   O2Z  _O31    30     1.26403   115.41863   -44.57572
   38    36 S   O2Z  _O32    31     1.26358   114.97682   136.34711
   39    33 S   CT   _C26    39     1.53876   112.62627  -164.49844
   40    39 S   CT   _C23    40     1.52662   114.21536   -67.87140
   41    40 S   HC   _H59    41     1.09473   112.82060    66.58932
   42    39 S   OH   _O38   105     1.43950   106.58773    52.87307
   43    42 S   HO   _H72   106     0.97356   107.42964   -55.15135
   44    40 S   CT   _C16    42     1.53704   104.51580  -174.75211
   45    44 S   HC   _H49    43     1.09595   109.83344   -93.40826
   46    44 S   HC   _H50    44     1.09411   111.74539   146.80883
   47    40 S   OS   _O36    60     1.42620   108.83008   -53.02801
   48    44 S   CT   _C22    45     1.54539   105.11671    25.81372
   49    48 S   HC   _H58    46     1.08934   111.37830   129.56998
   50    39 S   CT   _C25    47     1.58551   118.86904   176.43399
   51    48 S   OS   _O34    94     1.44632   110.03822  -112.47639
   52    50 S   CT   _C24    48     1.62178   112.50012    59.30000
   53    50 S   CT   _C29   101     1.54201   110.21420   -68.73562
   54    53 S   HC   _H66   102     1.09335   111.90361    71.67701
   55    53 S   HC   _H67   103     1.09541   112.15265   -47.27251
   56    53 S   HC   _H68   104     1.09135   112.11487  -166.26864
   57    52 S   CT   _C14    49     1.56461   111.82096   -78.66907
   58    57 S   HC   _H45    50     1.08594   112.08322    48.32180
   59    57 S   HC   _H46    51     1.09706   110.53834   -67.63027
   60    52 S   CT   _C18    65     1.58172   113.32648   163.03643
   61    60 S   HC   _H53    66     1.09534   110.53979  -179.79442
   62    60 S   HC   _H54    67     1.09293   112.10248   -63.38852
   63    57 S   CT   _C13    52     1.53365   114.96467   170.55906
   64    63 S   HC   _H43    53     1.09748   107.84002  -162.18875
   65    63 S   HC   _H44    54     1.09661   109.96109    82.48469
   66    60 S   OS   _O35    68     1.43487   111.18981    56.66100
   67    63 S   CM   _C9_    55     1.50115   114.22793   -40.22406
   68    66 S   CO4  _C12    69     1.36242   118.57586   135.97137
   69    68 S   O    _O30    70     1.22326   126.26201     1.99861
   70    67 S   CM   _C8_    56     1.34194   122.26896    15.11385
   71    70 S   HC   _H42    57     1.08832   119.12898  -179.49063
   72    67 S   CT   _C27    61     1.50100   115.97147  -165.25587
   73    72 S   HC   _H60    62     1.09479   110.22233   -59.12157
   74    72 S   HC   _H61    63     1.09513   112.22247  -179.17386
   75    72 S   HC   _H62    64     1.09473   110.35811    60.73892
   76    68 S   CT   _C20    71     1.52224   109.10638  -175.58794
   77    76 S   HC   _H56    72     1.09481   106.61654    56.62888
   78    52 S   CT   _C19    58     1.57242   109.62659    45.20480
   79    78 S   HC   _H55    59     1.09759   108.40302    87.91504
   80    76 S   CT   _C21    73     1.54517   112.03725   -65.43052
   81    80 S   HC   _H57    74     1.09714   109.27995    48.55903
   82    76 S   OH   _O37    99     1.42070   109.67620   172.13728
   83    82 S   HO   _H71   100     0.97283   107.61747   -57.75191
   84    80 S   CT   _C15    75     1.54763   111.68560   168.51509
   85    84 S   HC   _H47    76     1.09756   108.60892   168.20032
   86    84 S   HC   _H48    77     1.09628   110.14276    51.30122
   87    80 S   CT   _C28    95     1.53629   111.39548   -69.37882
   88    87 S   HC   _H63    96     1.09503   111.75065   -64.48284
   89    87 S   HC   _H64    97     1.09557   110.48722   175.66379
   90    87 S   HC   _H65    98     1.09466   111.20109    56.58562
   91    84 S   CT   _C17    78     1.52945   113.62978   -71.73833
   92    91 S   HC   _H51    79     1.09328   111.74653    56.73976
   93    91 S   HC   _H52    80     1.09601   110.23075   175.07940
   94    91 S   OS   _O33    81     1.43996   109.58774   -62.18519
   95    94 S   CO4  _C10    82     1.35671   117.30649   -97.55581
   96    95 S   O    _O28    83     1.22332   126.73277    -3.58758
   97    95 S   CM   _C6_    84     1.47953   111.64928   177.07993
   98    97 S   HC   _H40    85     1.08634   114.96689   164.86166
   99    97 S   CM   _C4_    86     1.34121   123.85122   -18.13912
  100    99 S   HC   _H38    87     1.08530   120.18433     0.46772
  101    99 S   CM   _C5_    88     1.44833   122.25941  -177.63413
  102   101 S   HC   _H39    89     1.08934   115.95106    -0.64316
  103   101 S   CM   _C7_    90     1.34096   127.26894   177.10132
  104   103 S   HC   _H41    91     1.08578   119.60574  -175.31241
  105   103 S   CO4  _C11    92     1.47415   125.11812     0.91450
  106   105 S   O    _O29    93     1.22158   122.84078  -124.33716
  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   7   5   4   3
  13   5   4   2   1   1  20  16   8   7   1  11   6   5  10  14
   5  18   7  20   6   2   1   1  14   7   6  10   4   3  10   4
   3   7   8   9   4   7   3   4   2   1   1  13   6   1   1  14
   9   3   1  11   6   5   4   2   1   1   6   3   2   5   6   3
   6   3   6   3   5   3   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    50    42  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    44    48    50    52    47    53    42    43  
   35    39    40    50    42  
   39    40    50    42  
   37    38  
   38  
    0  
   40    41    44    45    46    48    49    50    52    57    78    47    60    51    53    54    55    56    42    43  
   41    44    45    46    48    49    50    52    70    78    79    47    51    53    42    43  
   44    45    46    48    50    78    47    42  
   43    44    47    48    50    52    53  
   50  
   45    46    48    49    50    52    78    47   105    51    53  
   46    48    49    50    47    51  
   48    49    50    47    51  
   60    48    50    52    57    67    70    71    78    79  
   49    50    52    57    78    60   103   105   106    51    53    54    55    56  
   50    52   105    51    53  
   52    57    58    59    63    70    78    79    60    61    62    66   105    51    53    54    55    56  
   53    52   101   103   104   105   106  
   57    58    59    63    64    65    67    70    71    78    79    60    61    62    66    68    53    54    55    56  
   54    55    56    57    60    78  
   55    56  
   56  
    0  
   58    59    63    64    65    67    70    78    79    72    60    61    62    66  
   59    63    64    65    67    78    60  
   63    64    65    67    78    60  
   61    62    66    68    69    76    63    70    78    79  
   62    66    68    78  
   66    68    78  
   64    65    67    70    71    78    72    73    74    75  
   65    67    70    72  
   67    70    72  
   68    69    76    77    80    82    78  
   70    71    78    79    72    73    74    75  
   69    76    77    80    81    84    87    82    83  
   76    77    80    82  
   71    78    79    72    73    74    75  
   78    79    72  
   73    74    75    78  
   74    75  
   75  
    0  
   77    80    81    84    85    86    91    87    88    89    90    82    83  
   80    81    84    87    82    83  
   79  
    0  
   81    84    85    86    91    92    93    94    87    88    89    90    82    83  
   84    85    86    91    87    88    89    90    82  
   83    84    87  
    0  
   85    86    91    92    93    94    95    87    88    89    90  
   86    91    92    93    94    87  
   91    92    93    94    87  
   88    89    90    91  
   89    90  
   90  
    0  
   92    93    94    95    96    97  
   93    94    95  
   94    95  
   95    96    97    98    99  
   96    97    98    99   100   101  
   97    98    99  
   98    99   100   101   102   103  
   99   100   101  
  100   101   102   103   104   105  
  101   102   103  
  102   103   104   105   106  
  103   104   105  
  104   105   106  
  105   106  
  106  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   48   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   67   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   68   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   84   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   93   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   94   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   95   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   96   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   97   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   98   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   99   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  100   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  101   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  102   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  103   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
  104   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
  105   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
  106   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   268.000  1.529
   39    50   268.000  1.529
   39    42   320.000  1.410
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    47   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    48   268.000  1.529
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    51   320.000  1.410
   50    52   268.000  1.529
   50    53   268.000  1.529
   52    57   268.000  1.529
   52    78   268.000  1.529
   52    60   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    67   317.000  1.510
   67    70   549.000  1.340
   67    72   317.000  1.510
   70    71   340.000  1.080
   70    78   317.000  1.510
   78    79   340.000  1.090
   78    47   320.000  1.410
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    66   320.000  1.410
   66    68   214.000  1.327
   68    69   570.000  1.229
   68    76   317.000  1.522
   76    77   340.000  1.090
   76    80   268.000  1.529
   76    82   320.000  1.410
   80    81   340.000  1.090
   80    84   268.000  1.529
   80    87   268.000  1.529
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    91   268.000  1.529
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   320.000  1.410
   94    95   214.000  1.327
   95    96   570.000  1.229
   95    97   320.000  1.462
   97    98   340.000  1.080
   97    99   549.000  1.340
   99   100   340.000  1.080
   99   101   380.000  1.444
  101   102   340.000  1.080
  101   103   549.000  1.340
  103   104   340.000  1.080
  103   105   320.000  1.462
  105   106   570.000  1.229
  105    51   214.000  1.327
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   82    83   553.000  0.945
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   42    43   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    58.35000  112.70000
   33    39    50    58.35000  112.70000
   33    39    42    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    40    41    37.50000  110.70000
   39    40    44    58.35000  112.70000
   39    40    47    50.00000  109.50000
   39    50    48    58.35000  112.70000
   39    50    52    58.35000  112.70000
   39    50    53    58.35000  112.70000
   39    42    43    55.00000  108.50000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    48    58.35000  112.70000
   40    47    78    60.00000  109.50000
   44    40    41    37.50000  110.70000
   44    48    49    37.50000  110.70000
   44    48    50    58.35000  112.70000
   44    48    51    50.00000  109.50000
   46    44    45    33.00000  107.80000
   48    44    45    37.50000  110.70000
   48    44    46    37.50000  110.70000
   48    50    52    58.35000  112.70000
   48    50    53    58.35000  112.70000
   48    51   105    83.00000  116.90000
   50    39    40    58.35000  112.70000
   50    48    49    37.50000  110.70000
   50    52    57    58.35000  112.70000
   50    52    78    58.35000  112.70000
   50    52    60    58.35000  112.70000
   50    53    54    37.50000  110.70000
   50    53    55    37.50000  110.70000
   50    53    56    37.50000  110.70000
   52    57    58    37.50000  110.70000
   52    57    59    37.50000  110.70000
   52    57    63    58.35000  112.70000
   52    78    70    70.00000  112.02700
   52    78    79    37.50000  110.70000
   52    78    47    50.00000  109.50000
   52    60    61    37.50000  110.70000
   52    60    62    37.50000  110.70000
   52    60    66    50.00000  109.50000
   57    63    64    37.50000  110.70000
   57    63    65    37.50000  110.70000
   57    63    67    70.00000  112.02700
   59    57    58    33.00000  107.80000
   63    57    58    37.50000  110.70000
   63    57    59    37.50000  110.70000
   63    67    70    70.00000  124.00000
   63    67    72    65.00000  117.92700
   65    63    64    33.00000  107.80000
   67    63    64    35.00000  109.50000
   67    63    65    35.00000  109.50000
   67    70    71    35.00000  120.00000
   67    70    78    70.00000  124.00000
   67    72    73    35.00000  109.50000
   67    72    74    35.00000  109.50000
   67    72    75    35.00000  109.50000
   70    78    79    35.00000  109.50000
   70    78    47    85.00000  110.90400
   78    52    57    58.35000  112.70000
   78    70    71    35.00000  117.00000
   47    40    41    35.00000  109.50000
   47    40    44    50.00000  109.50000
   47    78    79    35.00000  109.50000
   72    67    70    70.00000  124.00000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   60    52    57    58.35000  112.70000
   60    52    78    58.35000  112.70000
   60    66    68    83.00000  116.90000
   62    60    61    33.00000  107.80000
   66    60    61    35.00000  109.50000
   66    60    62    35.00000  109.50000
   66    68    69    83.00000  123.40000
   66    68    76    81.00000  111.40000
   68    76    77    35.00000  109.50000
   68    76    80    63.00000  111.10000
   68    76    82    90.00000  109.61100
   76    68    69    80.00000  120.40000
   76    80    81    37.50000  110.70000
   76    80    84    58.35000  112.70000
   76    80    87    58.35000  112.70000
   76    82    83    55.00000  108.50000
   80    76    77    37.50000  110.70000
   80    84    85    37.50000  110.70000
   80    84    86    37.50000  110.70000
   80    84    91    58.35000  112.70000
   80    87    88    37.50000  110.70000
   80    87    89    37.50000  110.70000
   80    87    90    37.50000  110.70000
   84    80    81    37.50000  110.70000
   84    91    92    37.50000  110.70000
   84    91    93    37.50000  110.70000
   84    91    94    50.00000  109.50000
   86    84    85    33.00000  107.80000
   91    84    85    37.50000  110.70000
   91    84    86    37.50000  110.70000
   91    94    95    83.00000  116.90000
   93    91    92    33.00000  107.80000
   94    91    92    35.00000  109.50000
   94    91    93    35.00000  109.50000
   94    95    96    83.00000  123.40000
   94    95    97    90.00000  111.29400
   95    97    98    40.00000  117.72500
   95    97    99    65.00000  118.96000
   97    95    96    80.00000  123.72100
   97    99   100    35.00000  120.00000
   97    99   101    70.00000  123.01800
   99    97    98    35.00000  120.00000
   99   101   102    35.00000  120.00000
   99   101   103    70.00000  123.01800
  101    99   100    35.00000  120.00000
  101   103   104    35.00000  120.00000
  101   103   105    65.00000  118.96000
  103   101   102    35.00000  120.00000
  103   105   106    80.00000  123.72100
  103   105    51    90.00000  111.29400
  105   103   104    40.00000  117.72500
   51    48    49    35.00000  109.50000
   51    48    50    50.00000  109.50000
   51   105   106    83.00000  123.40000
   87    80    81    37.50000  110.70000
   87    80    84    58.35000  112.70000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   82    76    77    35.00000  109.50000
   82    76    80    50.00000  109.50000
   53    50    52    58.35000  112.70000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   42    39    40    50.00000  109.50000
   42    39    50    50.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
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   51    48    50    52  -0.30950 -1.0 2.0
   51    48    50    52   0.27300  1.0 3.0
   51    48    50    53   0.62750  1.0 1.0
   51    48    50    53  -0.30950 -1.0 2.0
   51    48    50    53   0.27300  1.0 3.0
   87    80    84    85   0.15000  1.0 3.0
   87    80    84    86   0.15000  1.0 3.0
   87    80    84    91   0.56750  1.0 1.0
   87    80    84    91  -0.07550 -1.0 2.0
   87    80    84    91   0.20000  1.0 3.0
   82    76    80    81   0.23400  1.0 3.0
   82    76    80    84   0.86500  1.0 1.0
   82    76    80    84  -0.17500 -1.0 2.0
   82    76    80    84   0.20800  1.0 3.0
   82    76    80    87   0.86500  1.0 1.0
   82    76    80    87  -0.17500 -1.0 2.0
   82    76    80    87   0.20800  1.0 3.0
   53    50    52    57   0.56750  1.0 1.0
   53    50    52    57  -0.07550 -1.0 2.0
   53    50    52    57   0.20000  1.0 3.0
   53    50    52    78   0.56750  1.0 1.0
   53    50    52    78  -0.07550 -1.0 2.0
   53    50    52    78   0.20000  1.0 3.0
   53    50    52    60   0.56750  1.0 1.0
   53    50    52    60  -0.07550 -1.0 2.0
   53    50    52    60   0.20000  1.0 3.0
   42    39    40    41   0.23400  1.0 3.0
   42    39    40    44   0.86500  1.0 1.0
   42    39    40    44  -0.17500 -1.0 2.0
   42    39    40    44   0.20800  1.0 3.0
   42    39    40    47   3.69350  1.0 1.0
   42    39    40    47  -1.82950 -1.0 2.0
   42    39    50    48   0.86500  1.0 1.0
   42    39    50    48  -0.17500 -1.0 2.0
   42    39    50    48   0.20800  1.0 3.0
   42    39    50    52   0.86500  1.0 1.0
   42    39    50    52  -0.17500 -1.0 2.0
   42    39    50    52   0.20800  1.0 3.0
   42    39    50    53   0.86500  1.0 1.0
   42    39    50    53  -0.17500 -1.0 2.0
   42    39    50    53   0.20800  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   38    30    36    37  10.50000 -1.0 2.0
   63    72    67    70   1.10000 -1.0 2.0
   78    71    70    67   1.10000 -1.0 2.0
   66    76    68    69  10.50000 -1.0 2.0
   94    97    95    96  10.50000 -1.0 2.0
   95    98    97    99   1.10000 -1.0 2.0
  101   100    99    97   1.10000 -1.0 2.0
   99   102   101   103   1.10000 -1.0 2.0
  105   104   103   101   1.10000 -1.0 2.0
  103    51   105   106  10.50000 -1.0 2.0
END
