* LIGAND DATABASE FILE (OPLS2005)
*
001     107   111    214    353     649
    1     0 S   NP   _N1_     1    28.61136    95.19336   -24.11732
    2     1 S   H    _HN1     2     1.02793   107.41856   -98.70261
    3     1 S   H    _H1_     3     1.02948    79.21485     7.34684
    4     1 S   H    _H2_     4     1.02829    29.99642   165.54137
    5     1 S   CT   _CA1     5     1.50125   132.80805   115.26319
    6     5 S   HC   _HA1     6     1.09574   105.17115    83.53061
    7     5 S   CO3  _C1_     7     1.53774   112.44742   -36.67613
    8     7 S   O2Z  _O11     8     1.26373   115.00508   -42.86848
    9     7 S   O2Z  _O12     9     1.26237   114.94469   136.16556
   10     5 S   CT   _CB1    10     1.53068   107.40857  -158.51245
   11    10 S   HC   HB11    11     1.09839   109.33290   -49.56487
   12    10 S   HC   HB12    12     1.09811   110.47675    67.03441
   13    10 S   CT   _CG1    13     1.53008   112.62442  -170.51502
   14    13 S   HC   HG11    14     1.09576   110.68744   -66.82752
   15    13 S   HC   HG12    15     1.09672   109.72896    52.40995
   16    13 S   C    _CD1    16     1.51814   112.08889   172.86843
   17    16 S   O    _OE1    17     1.22751   123.21150    10.18825
   18    16 S   N    _N2_    18     1.38633   111.75468  -169.79367
   19    18 S   H    _HN2    19     1.01574   119.05232     1.05610
   20    18 S   CT1  _CA2    20     1.46279   123.45920   177.08691
   21    20 S   HC   _HA2    21     1.09748   109.25031     7.09310
   22    20 S   C    _C2_    22     1.53732   108.90533  -108.32917
   23    22 S   O    _O2_    23     1.23082   122.30547  -150.19201
   24    20 S   CT   _CB2    32     1.53591   111.62578   129.00215
   25    24 S   HC   HB21    33     1.09419   109.17290    56.33779
   26    24 S   HC   HB22    34     1.09071   109.43149   174.38249
   27    22 S   N    _N3_    24     1.38341   113.89398    37.39062
   28    27 S   H    _HN3    25     1.01537   119.59988    -3.33525
   29    24 S   S    _SG2    35     1.83197   110.75390   -63.89848
   30    27 S   CT   _CA3    26     1.45270   123.25171   177.17562
   31    30 S   HC   HA31    27     1.09548   107.52231   -64.63534
   32    30 S   HC   HA32    28     1.09557   107.98223    51.81273
   33    29 S   CT   _C25    36     1.92047   103.69443  -164.79983
   34    30 S   CO3  _C3_    29     1.52963   114.06903   173.82162
   35    34 S   O2Z  _O31    30     1.26381   116.10224     0.07913
   36    34 S   O2Z  _O32    31     1.26430   114.41038  -179.87333
   37    33 S   CT   _C16    37     1.58870   106.52206    83.83193
   38    37 S   HC   _H50    38     1.09363   109.98271  -171.82769
   39    33 S   CT   _C21    95     1.59058   112.87335   -34.60920
   40    39 S   OM   _O29    96     1.32482   112.28557   -54.20923
   41    39 S   HC   _H55    97     1.10035   106.00770    74.56848
   42    37 S   CM   _C5_    39     1.49746   114.77246    69.00303
   43    42 S   HC   _H37    40     1.08690   117.87056  -159.96407
   44    37 S   OH   _O35   106     1.42711   112.17602   -55.73693
   45    44 S   HO   _H72   107     0.97204   108.00339  -171.95231
   46    42 S   CM   _C4_    41     1.33334   123.86351    21.11695
   47    46 S   HC   _H36    42     1.08385   121.42441  -179.52399
   48    46 S   CO4  _C8_    43     1.48048   120.88755     1.09771
   49    48 S   O    _O30    44     1.23282   117.17430  -175.61899
   50    33 S   CT   _C23    45     1.61136   108.50883  -160.25122
   51    50 S   CT   _C17    46     1.57929   109.79831   178.81932
   52    51 S   HC   _H51    47     1.09855   107.51484    62.26238
   53    50 S   CT   _C27   102     1.55829   113.64460    55.30193
   54    53 S   HC   _H60   103     1.09094   113.34658    68.10281
   55    53 S   HC   _H61   104     1.09390   112.40835   -54.65368
   56    53 S   HC   _H62   105     1.09583   111.82192  -172.34168
   57    51 S   CT   _C12    48     1.55314   114.37043   177.25419
   58    57 S   HC   _H42    49     1.09377   110.73430    57.58117
   59    57 S   HC   _H43    50     1.09574   109.86727   -59.62839
   60    57 S   CT   _C14    51     1.53989   113.43796  -179.97202
   61    60 S   HC   _H46    52     1.09765   108.69025    67.52083
   62    60 S   HC   _H47    53     1.09336   108.03621  -177.43822
   63    60 S   CT   _C24    54     1.53889   112.11179   -54.32891
   64    63 S   CT   _C18    55     1.55083   106.55880    56.21077
   65    64 S   HC   _H52    56     1.10337   108.08627    56.34126
   66    63 S   CT   _C28    98     1.54812   110.02618   -67.55735
   67    66 S   HC   _H63    99     1.09448   112.44662  -177.33244
   68    66 S   HC   _H64   100     1.09297   112.83098    61.84742
   69    66 S   HC   _H65   101     1.09498   110.87296   -57.49118
   70    64 S   CT   _C11    57     1.52143   103.83694   168.39994
   71    70 S   HC   _H40    58     1.09482   112.11229  -155.29684
   72    70 S   HC   _H41    59     1.09576   111.56458    83.96209
   73    51 S   CT   _C19    90     1.55714   112.30911   -55.05329
   74    73 S   HC   _H53    91     1.09469   109.48374   -64.27082
   75    70 S   CT   _C13    60     1.53417   103.98507   -35.14060
   76    75 S   HC   _H44    61     1.09602   109.23408   130.00542
   77    75 S   HC   _H45    62     1.09582   110.65412  -111.83590
   78    73 S   CT   _C15    92     1.54198   111.96449    54.78011
   79    78 S   HC   _H48    93     1.09779   108.59730    69.92545
   80    78 S   HC   _H49    94     1.10036   109.36950  -176.57972
   81    63 S   CT   _C20    63     1.56173   115.94142   165.63664
   82    81 S   HC   _H54    64     1.09964   107.09073   -41.86904
   83    81 S   CT   _C31    65     1.55483   119.47386    80.49390
   84    83 S   HC   _H71    66     1.09852   108.71031    58.19329
   85    83 S   CT   _C22    67     1.55790   112.48318   175.05843
   86    85 S   HC   _H56    68     1.09743   108.68562   -58.09257
   87    83 S   CT   _C29    86     1.53534   112.35457   -58.94212
   88    87 S   HC   _H66    87     1.09462   111.56570   -47.78660
   89    87 S   HC   _H67    88     1.09472   111.84393  -168.77898
   90    87 S   HC   _H68    89     1.09267   110.94841    73.05601
   91    85 S   CT   _C10    69     1.52328   114.69722    65.41196
   92    91 S   HC   _H38    70     1.09570   112.01076    55.35658
   93    91 S   HC   _H39    71     1.09520   109.60483   -64.52722
   94    91 S   CM   _C7_    72     1.50551   109.25062   174.92673
   95    94 S   CM   _C6_    73     1.34880   120.65735   -29.33373
   96    94 S   CT   _C26    82     1.50402   114.38355   151.52464
   97    96 S   HC   _H57    83     1.09474   110.12585   -69.68595
   98    96 S   HC   _H58    84     1.09242   113.49765   168.92541
   99    96 S   HC   _H59    85     1.09561   109.95576    49.61940
  100    95 S   CO4  _C9_    74     1.49229   119.47821    -4.16993
  101   100 S   O    _O33    75     1.22667   121.64368  -165.69082
  102    95 S   CT   _C30    77     1.50401   125.15619   177.30819
  103   102 S   HC   _H69    78     1.09381   112.81405   -25.28493
  104   102 S   HC   _H70    79     1.09550   110.82370  -143.74762
  105    85 S   OS   _O34    76     1.44511   108.14704  -172.61204
  106   102 S   OH   _O36    80     1.42133   110.29965    96.43967
  107   106 S   HO   _H73    81     0.97238   107.64939   -58.66861
  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
  24   2   1   1  15   7  14   6   5   8   4   3   1   6   3  10
   3  14  20   9   5   2   1   1  12   6   5  15   5   4  21  19
   9   9   3   2   1  11   6   5   6   3   8   4   3   2   1   1
  11   4  13   8  14   7   5   2   1   1  11   5   4  12  12   5
   2   1   1   6   2   5   3   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    50    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    48    50    51    78    39    40    41    53    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    46    48    49    50    51    52    57    73    78    79    80    39    40    41    53    54    55    56    44    45  
   35    36  
   36  
    0  
   38    42    43    46    47    48    50    51    78    39    40    41    53    44    45  
   42    43    46    50    39    44    45  
   40    41    53    44    42    48    50    51    64    73    74    78    79    80  
   41    50    73    78    79    80  
   50    73    78    79    80  
   43    46    47    48    49    50    44    45  
   46    47    48    44  
   45    46    50  
    0  
   47    48    49    50    51    53  
   48    49    50  
   49    50    51    52    57    73    53    54    55    56  
   50    51    53  
   51    52    57    58    59    60    64    73    74    78    53    54    55    56  
   52    57    58    59    60    61    62    63    64    65    70    73    74    78    79    80    53    54    55    56  
   57    58    59    60    64    73    74    78    53  
   54    55    56    57    73  
   55    56  
   56  
    0  
   58    59    60    61    62    63    64    81    73    74    78    66  
   59    60    61    62    63    73  
   60    61    62    63    73  
   61    62    63    64    65    70    75    81    82    83    73    66    67    68    69  
   62    63    64    81    66  
   63    64    81    66  
   64    65    70    71    72    75    76    77    81    82    83    84    85    87    73    74    78    66    67    68    69  
   65    70    71    72    75    76    77    81    82    83    73    74    78    79    80    66    67    68    69  
   70    71    72    75    81    73    74    78    66  
   67    68    69    70    73    75    81    82    83  
   68    69    81  
   69    81  
   81  
   71    72    75    76    77    81    82    83    73    74    78  
   72    75    76    77    81    73  
   75    76    77    81    73  
   74    78    79    80    75    81  
   78    79    80  
   76    77    81    82    83    84    85    87  
   77    81    82    83  
   81    82    83  
   79    80  
   80  
    0  
   82    83    84    85    86    91   105    87    88    89    90  
   83    84    85    87  
   84    85    86    91    92    93    94   100   105    87    88    89    90  
   85    86    91   105    87    88    89    90  
   86    91    92    93    94    95   100   101   105    96    87    88    89    90  
   91    92    93    94   100   105    87  
   88    89    90    91   105  
   89    90  
   90  
    0  
   92    93    94    95   100   105   102    96    97    98    99  
   93    94    95   105    96  
   94    95   105    96  
   95   100   101   105   102   103   104   106    96    97    98    99  
  100   101   105   102   103   104   106   107    96    97    98    99  
   97    98    99   100   102  
   98    99  
   99  
    0  
  101   105   102   103   104   106  
  105   102  
  103   104   106   107   105  
  104   106   107  
  106   107  
    0  
  107  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   50   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   64   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.4200   0.0150   0.030000   1.3810   1.2100   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   95   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   96   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   99   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  100   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
  101   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
  102   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
  103   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  104   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
  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
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    50   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    42   317.000  1.510
   37    44   320.000  1.410
   42    43   340.000  1.080
   42    46   549.000  1.340
   46    47   340.000  1.080
   46    48   320.000  1.462
   48    49   570.000  1.229
   48    50   317.000  1.522
   50    51   268.000  1.529
   50    53   268.000  1.529
   51    52   340.000  1.090
   51    57   268.000  1.529
   51    73   268.000  1.529
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   268.000  1.529
   63    64   268.000  1.529
   63    81   268.000  1.529
   63    66   268.000  1.529
   64    65   340.000  1.090
   64    70   268.000  1.529
   64    73   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    81   268.000  1.529
   81    82   340.000  1.090
   81    83   268.000  1.529
   83    84   340.000  1.090
   83    85   268.000  1.529
   83    87   268.000  1.529
   85    86   340.000  1.090
   85    91   268.000  1.529
   85   105   320.000  1.410
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   317.000  1.510
   94    95   549.000  1.340
   94    96   317.000  1.510
   95   100   320.000  1.462
   95   102   317.000  1.510
  100   101   570.000  1.229
  100   105   214.000  1.327
  102   103   340.000  1.090
  102   104   340.000  1.090
  102   106   320.000  1.410
  106   107   553.000  0.945
   96    97   340.000  1.090
   96    98   340.000  1.090
   96    99   340.000  1.090
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   73    74   340.000  1.090
   73    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    39   268.000  1.529
   39    40   570.000  1.307
   39    41   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   44    45   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    50    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    42    70.00000  112.02700
   33    37    44    50.00000  109.50000
   33    50    48    63.00000  111.10000
   33    50    51    58.35000  112.70000
   33    50    53    58.35000  112.70000
   33    39    78    58.35000  112.70000
   33    39    40    50.00000  109.50000
   33    39    41    37.50000  110.70000
   37    42    43    35.00000  117.00000
   37    42    46    70.00000  124.00000
   37    44    45    55.00000  108.50000
   42    37    38    35.00000  109.50000
   42    46    47    35.00000  120.00000
   42    46    48    65.00000  118.96000
   46    42    43    35.00000  120.00000
   46    48    49    80.00000  123.72100
   46    48    50    65.00000  118.62400
   48    46    47    40.00000  117.72500
   48    50    51    63.00000  111.10000
   48    50    53    63.00000  111.10000
   50    33    37    58.35000  112.70000
   50    48    49    80.00000  120.40000
   50    51    52    37.50000  110.70000
   50    51    57    58.35000  112.70000
   50    51    73    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
   51    57    58    37.50000  110.70000
   51    57    59    37.50000  110.70000
   51    57    60    58.35000  112.70000
   51    73    64    58.35000  112.70000
   51    73    74    37.50000  110.70000
   51    73    78    58.35000  112.70000
   57    51    52    37.50000  110.70000
   57    60    61    37.50000  110.70000
   57    60    62    37.50000  110.70000
   57    60    63    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    37.50000  110.70000
   60    57    59    37.50000  110.70000
   60    63    64    58.35000  112.70000
   60    63    81    58.35000  112.70000
   60    63    66    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    37.50000  110.70000
   63    60    62    37.50000  110.70000
   63    64    65    37.50000  110.70000
   63    64    70    58.35000  112.70000
   63    64    73    58.35000  112.70000
   63    81    75    58.35000  112.70000
   63    81    82    37.50000  110.70000
   63    81    83    58.35000  112.70000
   63    66    67    37.50000  110.70000
   63    66    68    37.50000  110.70000
   63    66    69    37.50000  110.70000
   64    70    71    37.50000  110.70000
   64    70    72    37.50000  110.70000
   64    70    75    58.35000  112.70000
   64    73    74    37.50000  110.70000
   64    73    78    58.35000  112.70000
   70    64    65    37.50000  110.70000
   70    75    76    37.50000  110.70000
   70    75    77    37.50000  110.70000
   70    75    81    58.35000  112.70000
   72    70    71    33.00000  107.80000
   75    70    71    37.50000  110.70000
   75    70    72    37.50000  110.70000
   75    81    82    37.50000  110.70000
   75    81    83    58.35000  112.70000
   77    75    76    33.00000  107.80000
   81    63    64    58.35000  112.70000
   81    75    76    37.50000  110.70000
   81    75    77    37.50000  110.70000
   81    83    84    37.50000  110.70000
   81    83    85    58.35000  112.70000
   81    83    87    58.35000  112.70000
   83    81    82    37.50000  110.70000
   83    85    86    37.50000  110.70000
   83    85    91    58.35000  112.70000
   83    85   105    50.00000  109.50000
   83    87    88    37.50000  110.70000
   83    87    89    37.50000  110.70000
   83    87    90    37.50000  110.70000
   85    83    84    37.50000  110.70000
   85    91    92    37.50000  110.70000
   85    91    93    37.50000  110.70000
   85    91    94    70.00000  112.02700
   85   105   100    83.00000  116.90000
   91    85    86    37.50000  110.70000
   91    94    95    70.00000  124.00000
   91    94    96    65.00000  117.92700
   93    91    92    33.00000  107.80000
   94    91    92    35.00000  109.50000
   94    91    93    35.00000  109.50000
   94    95   100    65.00000  118.96000
   94    95   102    70.00000  124.00000
   94    96    97    35.00000  109.50000
   94    96    98    35.00000  109.50000
   94    96    99    35.00000  109.50000
   95   100   101    80.00000  123.72100
   95   100   105    90.00000  111.29400
   95   102   103    35.00000  109.50000
   95   102   104    35.00000  109.50000
   95   102   106    90.00000  110.39200
  105    85    86    35.00000  109.50000
  105    85    91    50.00000  109.50000
  105   100   101    83.00000  123.40000
  102    95   100    65.00000  116.34900
  102   106   107    55.00000  108.50000
  104   102   103    33.00000  107.80000
  106   102   103    35.00000  109.50000
  106   102   104    35.00000  109.50000
   96    94    95    70.00000  124.00000
   98    96    97    33.00000  107.80000
   99    96    97    33.00000  107.80000
   99    96    98    33.00000  107.80000
   87    83    84    37.50000  110.70000
   87    83    85    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
   73    51    52    37.50000  110.70000
   73    51    57    58.35000  112.70000
   73    64    65    37.50000  110.70000
   73    64    70    58.35000  112.70000
   73    78    79    37.50000  110.70000
   73    78    80    37.50000  110.70000
   73    78    39    58.35000  112.70000
   78    73    74    37.50000  110.70000
   78    39    40    50.00000  109.50000
   78    39    41    37.50000  110.70000
   80    78    79    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    33    50    58.35000  112.70000
   39    78    79    37.50000  110.70000
   39    78    80    37.50000  110.70000
   41    39    40    45.00000  125.66300
   66    63    64    58.35000  112.70000
   66    63    81    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   53    50    51    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
   44    37    38    35.00000  109.50000
   44    37    42    90.00000  110.39200
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
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   85    91    94    96   0.08550 -1.0 2.0
   85    91    94    96   0.09800  1.0 3.0
   86    85    91    92   0.15000  1.0 3.0
   86    85    91    93   0.15000  1.0 3.0
   86    85    91    94   0.15000  1.0 3.0
   86    85   105   100   0.08050  1.0 3.0
   91    85   105   100  -0.25900  1.0 1.0
   91    85   105   100  -0.47000 -1.0 2.0
   91    85   105   100   0.11750  1.0 3.0
   91    94   -95   100   7.00000 -1.0 2.0
   91    94    95   102   7.00000 -1.0 2.0
   91    94    96    97   0.34800  1.0 3.0
   91    94    96    98   0.34800  1.0 3.0
   91    94    96    99   0.34800  1.0 3.0
   92    91    94    95   0.00000  1.0 1.0
   92    91    94    96   0.34800  1.0 3.0
   93    91    94    95   0.00000  1.0 1.0
   93    91    94    96   0.34800  1.0 3.0
   94    95   100   101   1.00000 -1.0 2.0
   94    95   100   105  -0.56150  1.0 1.0
   94    95   100   105   2.19150 -1.0 2.0
   94    95   102   103   0.00000  1.0 1.0
   94    95   102   104   0.00000  1.0 1.0
   94    95   102   106   0.67800  1.0 1.0
   94    95   102   106   0.47050 -1.0 2.0
   94    95   102   106  -0.62500  1.0 3.0
   95    94    96    97   0.00000  1.0 1.0
   95    94    96    98   0.00000  1.0 1.0
   95    94    96    99   0.00000  1.0 1.0
   95   100  -105    85   2.00000 -1.0 2.0
   95   102   106   107  -0.07800  1.0 1.0
   95   102   106   107  -0.21500 -1.0 2.0
   95   102   106   107  -0.03150  1.0 3.0
  100    95   102   103   0.15000  1.0 3.0
  100    95   102   104   0.15000  1.0 3.0
  100    95   102   106   0.09700  1.0 1.0
  100    95   102   106   0.15600 -1.0 2.0
  100    95   102   106  -0.50800  1.0 3.0
  101   100   105    85   3.00000 -1.0 2.0
  105    85    91    92   0.23400  1.0 3.0
  105    85    91    93   0.23400  1.0 3.0
  105    85   -91    94   0.61850  1.0 1.0
  105    85   -91    94  -0.22750 -1.0 2.0
  105    85   -91    94   0.15300  1.0 3.0
  102    95   100   101  -0.64400  1.0 1.0
  102    95   100   101   0.26850 -1.0 2.0
  102    95   100   105  -0.15000  1.0 1.0
  102    95   100   105   0.89550 -1.0 2.0
  102    95   100   105  -0.06900  1.0 3.0
  103   102   106   107   0.19450  1.0 3.0
  104   102   106   107   0.19450  1.0 3.0
   96    94    95   100   7.00000 -1.0 2.0
   96    94    95   102   7.00000 -1.0 2.0
   87    83    85    86   0.15000  1.0 3.0
   87    83    85    91   0.56750  1.0 1.0
   87    83    85    91  -0.07550 -1.0 2.0
   87    83    85    91   0.20000  1.0 3.0
   87    83    85   105   0.62750  1.0 1.0
   87    83    85   105  -0.30950 -1.0 2.0
   87    83    85   105   0.27300  1.0 3.0
   73    51    57    58   0.15000  1.0 3.0
   73    51    57    59   0.15000  1.0 3.0
   73    51   -57    60   0.56750  1.0 1.0
   73    51   -57    60  -0.07550 -1.0 2.0
   73    51   -57    60   0.20000  1.0 3.0
   73    64    70    71   0.15000  1.0 3.0
   73    64    70    72   0.15000  1.0 3.0
   73    64    70    75   0.56750  1.0 1.0
   73    64    70    75  -0.07550 -1.0 2.0
   73    64    70    75   0.20000  1.0 3.0
   73    78   -39    33   0.56750  1.0 1.0
   73    78   -39    33  -0.07550 -1.0 2.0
   73    78   -39    33   0.20000  1.0 3.0
   73    78    39    40   0.62750  1.0 1.0
   73    78    39    40  -0.30950 -1.0 2.0
   73    78    39    40   0.27300  1.0 3.0
   73    78    39    41   0.15000  1.0 3.0
   74    73    78    79   0.15000  1.0 3.0
   74    73    78    80   0.15000  1.0 3.0
   74    73    78    39   0.15000  1.0 3.0
   79    78    39    33   0.15000  1.0 3.0
   79    78    39    40   0.23400  1.0 3.0
   79    78    39    41   0.15000  1.0 3.0
   80    78    39    33   0.15000  1.0 3.0
   80    78    39    40   0.23400  1.0 3.0
   80    78    39    41   0.15000  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    42   0.34400  1.0 1.0
   39    33    37    42   0.09450 -1.0 2.0
   39    33    37    42   0.11100  1.0 3.0
   39    33    37    44   0.86500  1.0 1.0
   39    33    37    44  -0.17500 -1.0 2.0
   39    33    37    44   0.20800  1.0 3.0
   39    33    50    48  -0.95700  1.0 1.0
   39    33    50    48  -0.18200 -1.0 2.0
   39    33    50    48   0.29450  1.0 3.0
   39    33   -50    51   0.56750  1.0 1.0
   39    33   -50    51  -0.07550 -1.0 2.0
   39    33   -50    51   0.20000  1.0 3.0
   39    33    50    53   0.56750  1.0 1.0
   39    33    50    53  -0.07550 -1.0 2.0
   39    33    50    53   0.20000  1.0 3.0
   66    63    64    65   0.15000  1.0 3.0
   66    63    64    70   0.56750  1.0 1.0
   66    63    64    70  -0.07550 -1.0 2.0
   66    63    64    70   0.20000  1.0 3.0
   66    63    64    73   0.56750  1.0 1.0
   66    63    64    73  -0.07550 -1.0 2.0
   66    63    64    73   0.20000  1.0 3.0
   66    63    81    75   0.56750  1.0 1.0
   66    63    81    75  -0.07550 -1.0 2.0
   66    63    81    75   0.20000  1.0 3.0
   66    63    81    82   0.15000  1.0 3.0
   66    63    81    83   0.56750  1.0 1.0
   66    63    81    83  -0.07550 -1.0 2.0
   66    63    81    83   0.20000  1.0 3.0
   53    50    51    52   0.15000  1.0 3.0
   53    50    51    57   0.56750  1.0 1.0
   53    50    51    57  -0.07550 -1.0 2.0
   53    50    51    57   0.20000  1.0 3.0
   53    50    51    73   0.56750  1.0 1.0
   53    50    51    73  -0.07550 -1.0 2.0
   53    50    51    73   0.20000  1.0 3.0
   44    37    42    43   0.00000  1.0 1.0
   44    37    42    46   0.67800  1.0 1.0
   44    37    42    46   0.47050 -1.0 2.0
   44    37    42    46  -0.62500  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   37    43    42    46   1.10000 -1.0 2.0
   48    47    46    42   1.10000 -1.0 2.0
   46    50    48    49  10.50000 -1.0 2.0
   91    96    94    95   1.10000 -1.0 2.0
  100   102    95    94   1.10000 -1.0 2.0
   95   105   100   101  10.50000 -1.0 2.0
END
