* LIGAND DATABASE FILE (OPLS2005)
*
001     106   110    209    341     632
    1     0 S   NP   _N1_     1    30.28396    98.13451   -16.28907
    2     1 S   H    _HN1     2     1.02953    72.51318     8.74941
    3     1 S   H    _H1_     3     1.02834    69.97409   125.07285
    4     1 S   H    _H2_     4     1.02778    64.30139  -112.37970
    5     1 S   CT   _CA1     5     1.50072   176.22664  -133.11492
    6     5 S   HC   _HA1     6     1.09580   105.28539   -41.15220
    7     5 S   CO3  _C1_     7     1.53974   112.24603  -161.33011
    8     7 S   O2Z  _O11     8     1.26364   115.01209   -48.30627
    9     7 S   O2Z  _O12     9     1.26251   115.03307   130.86806
   10     5 S   CT   _CB1    10     1.53193   107.39651    76.67980
   11    10 S   HC   HB11    11     1.09802   109.74084   -51.27840
   12    10 S   HC   HB12    12     1.09810   110.36548    65.53408
   13    10 S   CT   _CG1    13     1.52803   112.10979  -172.31709
   14    13 S   HC   HG11    14     1.09362   109.66460   -59.47821
   15    13 S   HC   HG12    15     1.09597   110.07437    59.67741
   16    13 S   C    _CD1    16     1.51609   113.01716  -179.14431
   17    16 S   O    _OE1    17     1.22702   123.24387    -3.96665
   18    16 S   N    _N2_    18     1.38754   111.48848   175.69652
   19    18 S   H    _HN2    19     1.01647   118.99502     3.07523
   20    18 S   CT1  _CA2    20     1.46274   123.34121  -176.47041
   21    20 S   HC   _HA2    21     1.09727   109.19254    -2.94862
   22    20 S   C    _C2_    22     1.53447   109.24843  -118.89107
   23    22 S   O    _O2_    23     1.23052   121.95962  -150.80049
   24    20 S   CT   _CB2    32     1.53657   111.36286   118.53779
   25    24 S   HC   HB21    33     1.09286   109.43119    63.64801
   26    24 S   HC   HB22    34     1.09550   110.19538  -178.80302
   27    22 S   N    _N3_    24     1.38422   113.73600    36.62159
   28    27 S   H    _HN3    25     1.01500   118.90894    -1.01895
   29    24 S   S    _SG2    35     1.83375   110.97527   -59.84642
   30    27 S   CT   _CA3    26     1.45449   123.59375   175.43567
   31    30 S   HC   HA31    27     1.09516   109.38729    21.33075
   32    30 S   HC   HA32    28     1.09503   107.07727   138.32471
   33    29 S   CT   _C19    36     1.88390   102.64027   147.38120
   34    30 S   CO3  _C3_    29     1.52902   113.03561  -102.27513
   35    34 S   O2Z  _O31    30     1.26412   115.39020   -45.66619
   36    34 S   O2Z  _O32    31     1.26359   115.01749   135.27396
   37    33 S   CM   _C4_    37     1.50937   107.22822    54.99780
   38    37 S   HC   _H39    38     1.09173   115.96085    51.92273
   39    33 S   CT   _C24   103     1.54372   102.91343   169.89798
   40    39 S   HC   _H55   104     1.09635   112.42616    58.48252
   41    39 S   HC   _H56   105     1.09846   111.66990   -61.74743
   42    39 S   HC   _H57   106     1.09139   112.79729   179.17031
   43    37 S   CMA  _C5_    39     1.34897   126.65783  -126.26965
   44    43 S   OM   _O27    40     1.26412   128.33207   176.05687
   45    43 S   CT   _C11    41     1.54393   119.40573    -2.93718
   46    45 S   HC   _H44    42     1.09987   106.83884   101.61663
   47    45 S   CT   _C21    43     1.57836   116.02175   -19.59992
   48    45 S   OH   _O35   101     1.43745   110.36192  -143.34111
   49    48 S   HO   _H70   102     0.97423   106.16764   -30.38801
   50    33 S   CT   _C13    44     1.56558   109.94994   -67.98822
   51    50 S   HC   _H46    45     1.09703   106.15789    41.38533
   52    47 S   CT   _C25    97     1.54836   108.37922   -73.38354
   53    52 S   HC   _H58    98     1.09073   112.91213   169.21247
   54    52 S   HC   _H59    99     1.09336   111.53955    48.65362
   55    52 S   HC   _H60   100     1.08914   113.46232   -68.02560
   56    50 S   CT   _C9_    46     1.54315   113.82173   -74.19427
   57    56 S   HC   _H40    47     1.09412   111.55789   -70.87294
   58    56 S   HC   _H41    48     1.09659   109.43262    47.13140
   59    56 S   CT   _C16    49     1.52462   111.19649   166.21889
   60    59 S   HC   _H49    50     1.09744   108.10350  -179.89165
   61    59 S   CT   _C20    51     1.52456   113.26135    56.78262
   62    59 S   OS   _O33    63     1.46008   106.43210   -66.72720
   63    61 S   CT   _C10    52     1.53528   115.49448    81.51227
   64    63 S   HC   _H42    53     1.08889   115.41834   -92.61927
   65    63 S   HC   _H43    54     1.09612   112.00077    30.84293
   66    47 S   CT   _C15    87     1.61281   109.36013   162.22304
   67    66 S   HC   _H48    88     1.09877   102.57755   -52.16420
   68    63 S   OS   _O34    55     1.45210   106.13360   147.06652
   69    68 S   CT   _C22    56     1.45555   108.04869    -7.54769
   70    61 S   CT   _C14    57     1.52984   105.94928  -171.71978
   71    70 S   HC   _H47    58     1.10484   108.33969   -56.53408
   72    69 S   CT   _C18    83     1.54498   107.65125    95.70218
   73    72 S   HC   _H51    84     1.09814   108.09344    64.66261
   74    69 S   CT   _C26    93     1.52644   108.15940  -143.74587
   75    74 S   HC   _H61    94     1.09604   110.53410   -57.88756
   76    74 S   HC   _H62    95     1.09341   112.37935  -178.85568
   77    74 S   HC   _H63    96     1.09582   110.90013    59.52470
   78    70 S   CT   _C12    59     1.51604   113.22220    60.82281
   79    78 S   HC   _H45    60     1.09182   112.56032    65.90775
   80    72 S   CT   _C17    85     1.54488   112.59925   -55.16835
   81    80 S   HC   _H50    86     1.09515   108.62453  -158.84052
   82    72 S   OH   _O37    91     1.42373   110.37247  -178.95920
   83    82 S   HO   _H72    92     0.97256   107.81969  -175.09927
   84    78 S   CO4  _C6_    61     1.51879   110.49375   -53.13231
   85    84 S   O    _O28    62     1.22831   122.63876  -149.93911
   86    78 S   OS   _O38    64     1.43667   108.44942  -171.66827
   87    80 S   OH   _O36    89     1.42267   107.08653    85.62376
   88    87 S   HO   _H71    90     0.97219   107.81445    68.46021
   89    86 S   CO4  _C8_    65     1.36541   117.71247  -148.74369
   90    89 S   O    _O30    66     1.22377   125.99704    -0.08393
   91    89 S   CT   _C29    67     1.52080   109.25028   179.56569
   92    91 S   HC   _H69    68     1.09713   109.28027   -49.46752
   93    91 S   CT   _C28    69     1.53126   109.82139    71.87729
   94    93 S   HC   _H67    70     1.09726   109.81298    61.88391
   95    93 S   HC   _H68    71     1.09631   110.36007   -55.84046
   96    91 S   OS   _O39    76     1.43731   109.11640  -169.61191
   97    93 S   CT   _C27    72     1.52259   112.18128  -177.48830
   98    97 S   HC   _H64    73     1.09464   110.90793    58.90083
   99    97 S   HC   _H65    74     1.09444   111.40833   -61.88989
  100    97 S   HC   _H66    75     1.09462   110.13319   178.46839
  101    96 S   CO4  _C7_    77     1.36352   116.73024    80.77206
  102   101 S   O    _O29    78     1.22325   126.34569     0.02798
  103   101 S   CT   _C23    79     1.49824   109.51761  -179.83929
  104   103 S   HC   _H52    80     1.09292   109.83556   -60.43457
  105   103 S   HC   _H53    81     1.09378   109.36024  -179.45249
  106   103 S   HC   _H54    82     1.09288   109.81417    61.47780
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  12   5   4   3
  18   2   1   1  14   5   8   3   2   1   9   4  15   6  21   4
   1  15   6   8   3   2   1  10   5   4  16   6  19   8  12   5
   4  13   5  12  17  15   6  12   6   6   2   1   1   7   4   5
   3   2   1   3   1   6   1   1   9   4  12   6   8   6   5   7
   3   2   1   1   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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    43    47    50    51    56    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    45    47    50    51    56    57    58    59    66    52    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    45    46    47    50    51    56    48    39    40    41    42  
   43    44    45    50    39  
   40    41    42    43    47    50    51    56  
   41    42    50  
   42    50  
   50  
   44    45    46    47    50    66    52    48    49  
   45    46    47    48  
   46    47    50    51    56    61    80    66    67    52    53    54    55    48    49  
   47    50    66    52    48    49  
   50    51    56    57    58    59    61    63    70    72    80    81    66    67    87    52    53    54    55    48    49  
   49    50    52    66  
    0  
   51    56    57    58    59    60    61    62    80    66    67    52    53    54    55  
   56    57    58    59    66    52  
   53    54    55    56    61    66    67    80  
   54    55    66  
   55    66  
   66  
   57    58    59    60    61    63    70    84    62    66  
   58    59    60    61    62  
   59    60    61    62  
   60    61    63    64    65    68    69    70    71    78    84    85    62    80    66    67  
   61    63    70    84    62    66  
   63    64    65    68    69    70    71    78    79    84    62    86    72    80    81    66    67    87    74  
   86    66    63    70    78    79    84    85  
   64    65    68    69    70    71    78    72    80    66    67    74  
   65    68    69    70    66  
   68    69    70    66  
   67    87    88    82    68    69    70    71    72    73    78    80    81  
   87    70    72    80    81  
   69    70    71    78    72    73    80    82    74    75    76    77  
   70    71    78    79    84    86    72    73    80    81    87    82    83    74    75    76    77  
   71    78    79    84    85    86    89    72    73    80    82    74    75    76    77  
   78    79    84    86    72    74  
   73    80    81    87    88    82    83    74    75    76    77    78  
   80    81    87    82    83    74  
   75    76    77    78    80    82  
   76    77  
   77  
    0  
   79    84    85    86    89    90    91  
   84    85    86    89  
   81    87    88    82    83  
   87    88    82  
   83    87  
    0  
   85    86    89  
   86  
   89    90    91    92    93    96  
   88  
    0  
   90    91    92    93    94    95    97    96   101  
   91    92    93    96  
   92    93    94    95    97    98    99   100    96   101   102   103  
   93    94    95    97    96   101  
   94    95    97    98    99   100    96   101  
   95    97    98    99   100    96  
   97    98    99   100    96  
  101   102   103   104   105   106    97  
   98    99   100  
   99   100  
  100  
    0  
  102   103   104   105   106  
  103   104   105   106  
  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   0.167500   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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   45   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   49   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   69   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   70   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   80   3.5000   0.0660   0.205000   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   85   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   86   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   87   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   88   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   89   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   90   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   91   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.4200   0.0150   0.030000   1.3810   1.2100   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   97   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  101   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
  102   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
  103   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
  104   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  105   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
  106   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    50   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    43   465.000  1.376
   43    44   745.000  1.250
   43    45   270.000  1.512
   45    46   340.000  1.090
   45    47   268.000  1.529
   45    48   320.000  1.410
   47    50   268.000  1.529
   47    66   268.000  1.529
   47    52   268.000  1.529
   50    51   340.000  1.090
   50    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   268.000  1.529
   59    60   340.000  1.090
   59    61   268.000  1.529
   59    62   320.000  1.410
   61    63   268.000  1.529
   61    70   268.000  1.529
   61    66   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    68   320.000  1.410
   68    69   320.000  1.410
   69    70   268.000  1.529
   69    72   268.000  1.529
   69    74   268.000  1.529
   70    71   340.000  1.090
   70    78   268.000  1.529
   78    79   340.000  1.090
   78    84   317.000  1.522
   78    86   320.000  1.410
   84    85   570.000  1.229
   84    62   214.000  1.327
   86    89   214.000  1.327
   89    90   570.000  1.229
   89    91   317.000  1.522
   91    92   340.000  1.090
   91    93   268.000  1.529
   91    96   320.000  1.410
   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    99   340.000  1.090
   97   100   340.000  1.090
   96   101   214.000  1.327
  101   102   570.000  1.229
  101   103   317.000  1.522
  103   104   340.000  1.090
  103   105   340.000  1.090
  103   106   340.000  1.090
   72    73   340.000  1.090
   72    80   268.000  1.529
   72    82   320.000  1.410
   80    81   340.000  1.090
   80    66   268.000  1.529
   80    87   320.000  1.410
   66    67   340.000  1.090
   87    88   553.000  0.945
   82    83   553.000  0.945
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   48    49   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    50    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    43    70.00000  124.00000
   33    50    47    58.35000  112.70000
   33    50    51    37.50000  110.70000
   33    50    56    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    65.00000  137.10300
   37    43    45    65.00000  122.18000
   43    37    38    40.00000  120.50800
   43    45    46    45.00000  110.52000
   43    45    47    70.00000  112.02700
   43    45    48    90.00000  110.39200
   45    43    44    85.00000  112.85300
   45    47    50    58.35000  112.70000
   45    47    66    58.35000  112.70000
   45    47    52    58.35000  112.70000
   45    48    49    55.00000  108.50000
   47    45    46    37.50000  110.70000
   47    50    51    37.50000  110.70000
   47    50    56    58.35000  112.70000
   47    66    61    58.35000  112.70000
   47    66    80    58.35000  112.70000
   47    66    67    37.50000  110.70000
   47    52    53    37.50000  110.70000
   47    52    54    37.50000  110.70000
   47    52    55    37.50000  110.70000
   50    33    37    70.00000  112.02700
   50    56    57    37.50000  110.70000
   50    56    58    37.50000  110.70000
   50    56    59    58.35000  112.70000
   56    50    51    37.50000  110.70000
   56    59    60    37.50000  110.70000
   56    59    61    58.35000  112.70000
   56    59    62    50.00000  109.50000
   58    56    57    33.00000  107.80000
   59    56    57    37.50000  110.70000
   59    56    58    37.50000  110.70000
   59    61    63    58.35000  112.70000
   59    61    70    58.35000  112.70000
   59    61    66    58.35000  112.70000
   59    62    84    83.00000  116.90000
   61    59    60    37.50000  110.70000
   61    63    64    37.50000  110.70000
   61    63    65    37.50000  110.70000
   61    63    68    50.00000  109.50000
   61    70    69    58.35000  112.70000
   61    70    71    37.50000  110.70000
   61    70    78    58.35000  112.70000
   61    66    80    58.35000  112.70000
   61    66    67    37.50000  110.70000
   63    68    69    60.00000  109.50000
   65    63    64    33.00000  107.80000
   68    63    64    35.00000  109.50000
   68    63    65    35.00000  109.50000
   68    69    70    50.00000  109.50000
   68    69    72    50.00000  109.50000
   68    69    74    50.00000  109.50000
   69    70    71    37.50000  110.70000
   69    70    78    58.35000  112.70000
   69    72    73    37.50000  110.70000
   69    72    80    58.35000  112.70000
   69    72    82    50.00000  109.50000
   69    74    75    37.50000  110.70000
   69    74    76    37.50000  110.70000
   69    74    77    37.50000  110.70000
   70    61    63    58.35000  112.70000
   70    78    79    37.50000  110.70000
   70    78    84    63.00000  111.10000
   70    78    86    50.00000  109.50000
   78    70    71    37.50000  110.70000
   78    84    85    80.00000  120.40000
   78    84    62    81.00000  111.40000
   78    86    89    83.00000  116.90000
   84    78    79    35.00000  109.50000
   62    59    60    35.00000  109.50000
   62    59    61    50.00000  109.50000
   62    84    85    83.00000  123.40000
   86    78    79    35.00000  109.50000
   86    78    84    90.00000  108.74100
   86    89    90    83.00000  123.40000
   86    89    91    81.00000  111.40000
   89    91    92    35.00000  109.50000
   89    91    93    63.00000  111.10000
   89    91    96    90.00000  108.74100
   91    89    90    80.00000  120.40000
   91    93    94    37.50000  110.70000
   91    93    95    37.50000  110.70000
   91    93    97    58.35000  112.70000
   91    96   101    83.00000  116.90000
   93    91    92    37.50000  110.70000
   93    97    98    37.50000  110.70000
   93    97    99    37.50000  110.70000
   93    97   100    37.50000  110.70000
   95    93    94    33.00000  107.80000
   97    93    94    37.50000  110.70000
   97    93    95    37.50000  110.70000
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    33.00000  107.80000
   96    91    92    35.00000  109.50000
   96    91    93    50.00000  109.50000
   96   101   102    83.00000  123.40000
   96   101   103    81.00000  111.40000
  101   103   104    35.00000  109.50000
  101   103   105    35.00000  109.50000
  101   103   106    35.00000  109.50000
  103   101   102    80.00000  120.40000
  105   103   104    33.00000  107.80000
  106   103   104    33.00000  107.80000
  106   103   105    33.00000  107.80000
   72    69    70    58.35000  112.70000
   72    80    81    37.50000  110.70000
   72    80    66    58.35000  112.70000
   72    80    87    50.00000  109.50000
   72    82    83    55.00000  108.50000
   80    72    73    37.50000  110.70000
   80    66    67    37.50000  110.70000
   80    87    88    55.00000  108.50000
   66    47    50    58.35000  112.70000
   66    61    63    58.35000  112.70000
   66    61    70    58.35000  112.70000
   66    80    81    37.50000  110.70000
   87    80    81    35.00000  109.50000
   87    80    66    50.00000  109.50000
   82    72    73    35.00000  109.50000
   82    72    80    50.00000  109.50000
   74    69    70    58.35000  112.70000
   74    69    72    58.35000  112.70000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   52    47    50    58.35000  112.70000
   52    47    66    58.35000  112.70000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   48    45    46    35.00000  109.50000
   48    45    47    50.00000  109.50000
   39    33    37    70.00000  112.02700
   39    33    50    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    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
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   96    91    93    97   0.27300  1.0 3.0
   96   101   103   104   0.00000  1.0 1.0
   96   101   103   105   0.00000  1.0 1.0
   96   101   103   106   0.00000  1.0 1.0
  102   101   103   104   0.00000  1.0 1.0
  102   101   103   105   0.00000  1.0 1.0
  102   101   103   106   0.00000  1.0 1.0
   72    69    70    61   0.56750  1.0 1.0
   72    69    70    61  -0.07550 -1.0 2.0
   72    69    70    61   0.20000  1.0 3.0
   72    69    70    71   0.15000  1.0 3.0
   72    69    70    78   0.56750  1.0 1.0
   72    69    70    78  -0.07550 -1.0 2.0
   72    69    70    78   0.20000  1.0 3.0
   72    69    74    75   0.15000  1.0 3.0
   72    69    74    76   0.15000  1.0 3.0
   72    69    74    77   0.15000  1.0 3.0
   72    80    66    47   0.56750  1.0 1.0
   72    80    66    47  -0.07550 -1.0 2.0
   72    80    66    47   0.20000  1.0 3.0
   72    80   -66    61   0.56750  1.0 1.0
   72    80   -66    61  -0.07550 -1.0 2.0
   72    80   -66    61   0.20000  1.0 3.0
   72    80    66    67   0.15000  1.0 3.0
   72    80    87    88  -0.11600  1.0 1.0
   72    80    87    88  -0.09450 -1.0 2.0
   72    80    87    88   0.21250  1.0 3.0
   73    72    80    81   0.15000  1.0 3.0
   73    72    80    66   0.15000  1.0 3.0
   73    72    80    87   0.23400  1.0 3.0
   73    72    82    83   0.19450  1.0 3.0
   80    72    82    83  -0.11600  1.0 1.0
   80    72    82    83  -0.09450 -1.0 2.0
   80    72    82    83   0.21250  1.0 3.0
   81    80    66    47   0.15000  1.0 3.0
   81    80    66    61   0.15000  1.0 3.0
   81    80    66    67   0.15000  1.0 3.0
   81    80    87    88   0.19450  1.0 3.0
   66    47    50    33   0.56750  1.0 1.0
   66    47    50    33  -0.07550 -1.0 2.0
   66    47    50    33   0.20000  1.0 3.0
   66    47    50    51   0.15000  1.0 3.0
   66    47   -50    56   0.56750  1.0 1.0
   66    47   -50    56  -0.07550 -1.0 2.0
   66    47   -50    56   0.20000  1.0 3.0
   66    47    52    53   0.15000  1.0 3.0
   66    47    52    54   0.15000  1.0 3.0
   66    47    52    55   0.15000  1.0 3.0
   66    61    63    64   0.15000  1.0 3.0
   66    61    63    65   0.15000  1.0 3.0
   66    61    63    68   0.62750  1.0 1.0
   66    61    63    68  -0.30950 -1.0 2.0
   66    61    63    68   0.27300  1.0 3.0
   66    61   -70    69   0.56750  1.0 1.0
   66    61   -70    69  -0.07550 -1.0 2.0
   66    61   -70    69   0.20000  1.0 3.0
   66    61    70    71   0.15000  1.0 3.0
   66    61    70    78   0.56750  1.0 1.0
   66    61    70    78  -0.07550 -1.0 2.0
   66    61    70    78   0.20000  1.0 3.0
   66    80    87    88  -0.11600  1.0 1.0
   66    80    87    88  -0.09450 -1.0 2.0
   66    80    87    88   0.21250  1.0 3.0
   87    80    66    47   0.86500  1.0 1.0
   87    80    66    47  -0.17500 -1.0 2.0
   87    80    66    47   0.20800  1.0 3.0
   87    80    66    61   0.86500  1.0 1.0
   87    80    66    61  -0.17500 -1.0 2.0
   87    80    66    61   0.20800  1.0 3.0
   87    80    66    67   0.23400  1.0 3.0
   82    72    80    81   0.23400  1.0 3.0
   82    72    80    66   0.86500  1.0 1.0
   82    72    80    66  -0.17500 -1.0 2.0
   82    72    80    66   0.20800  1.0 3.0
   82    72    80    87   3.75450  1.0 1.0
   74    69    70    61   0.56750  1.0 1.0
   74    69    70    61  -0.07550 -1.0 2.0
   74    69    70    61   0.20000  1.0 3.0
   74    69    70    71   0.15000  1.0 3.0
   74    69    70    78   0.56750  1.0 1.0
   74    69    70    78  -0.07550 -1.0 2.0
   74    69    70    78   0.20000  1.0 3.0
   74    69    72    73   0.15000  1.0 3.0
   74    69    72    80   0.56750  1.0 1.0
   74    69    72    80  -0.07550 -1.0 2.0
   74    69    72    80   0.20000  1.0 3.0
   74    69    72    82   0.86500  1.0 1.0
   74    69    72    82  -0.17500 -1.0 2.0
   74    69    72    82   0.20800  1.0 3.0
   52    47    50    33   0.56750  1.0 1.0
   52    47    50    33  -0.07550 -1.0 2.0
   52    47    50    33   0.20000  1.0 3.0
   52    47    50    51   0.15000  1.0 3.0
   52    47    50    56   0.56750  1.0 1.0
   52    47    50    56  -0.07550 -1.0 2.0
   52    47    50    56   0.20000  1.0 3.0
   52    47    66    61   0.56750  1.0 1.0
   52    47    66    61  -0.07550 -1.0 2.0
   52    47    66    61   0.20000  1.0 3.0
   52    47    66    80   0.56750  1.0 1.0
   52    47    66    80  -0.07550 -1.0 2.0
   52    47    66    80   0.20000  1.0 3.0
   52    47    66    67   0.15000  1.0 3.0
   48    45    47    50   0.86500  1.0 1.0
   48    45    47    50  -0.17500 -1.0 2.0
   48    45    47    50   0.20800  1.0 3.0
   48    45    47    66   0.86500  1.0 1.0
   48    45    47    66  -0.17500 -1.0 2.0
   48    45    47    66   0.20800  1.0 3.0
   48    45    47    52   0.86500  1.0 1.0
   48    45    47    52  -0.17500 -1.0 2.0
   48    45    47    52   0.20800  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    43   0.09850  1.0 1.0
   39    33    37    43   0.15250 -1.0 2.0
   39    33    37    43  -0.50650  1.0 3.0
   39    33    50    47   0.56750  1.0 1.0
   39    33    50    47  -0.07550 -1.0 2.0
   39    33    50    47   0.20000  1.0 3.0
   39    33    50    51   0.15000  1.0 3.0
   39    33    50    56   0.56750  1.0 1.0
   39    33    50    56  -0.07550 -1.0 2.0
   39    33    50    56   0.20000  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
   33    38    37    43   1.10000 -1.0 2.0
   45    44    43    37   1.10000 -1.0 2.0
   78    62    84    85  10.50000 -1.0 2.0
   86    91    89    90  10.50000 -1.0 2.0
   96   103   101   102  10.50000 -1.0 2.0
END
