* LIGAND DATABASE FILE (OPLS2005)
*
001     107   112    218    360     651
    1     0 S   NP   _N1_     1    28.37822    93.43545   -21.32128
    2     1 S   H    _HN1     2     1.02797    93.49699  -105.95097
    3     1 S   H    _H1_     3     1.02952    90.82305     2.42632
    4     1 S   H    _H2_     4     1.02827    27.22159   130.54570
    5     1 S   CT   _CA1     5     1.50125   137.91940   124.93848
    6     5 S   HC   _HA1     6     1.09572   105.20627    62.12856
    7     5 S   CO3  _C1_     7     1.53744   112.20975   -58.09739
    8     7 S   O2Z  _O11     8     1.26375   115.01465   -47.40317
    9     7 S   O2Z  _O12     9     1.26229   114.94153   131.35260
   10     5 S   CT   _CB1    10     1.53058   107.40243  -179.95577
   11    10 S   HC   HB11    11     1.09834   109.42354   -49.52874
   12    10 S   HC   HB12    12     1.09813   110.46180    67.07464
   13    10 S   CT   _CG1    13     1.53004   112.59820  -170.47073
   14    13 S   HC   HG11    14     1.09611   110.59765   -64.30350
   15    13 S   HC   HG12    15     1.09659   109.85103    54.94950
   16    13 S   C    _CD1    16     1.51843   112.09090   175.42795
   17    16 S   O    _OE1    17     1.22750   123.23143     6.16726
   18    16 S   N    _N2_    18     1.38611   111.75318  -174.23602
   19    18 S   H    _HN2    19     1.01595   119.03382     1.99469
   20    18 S   CT1  _CA2    20     1.46330   123.41915  -179.75134
   21    20 S   HC   _HA2    21     1.09735   109.32233    -0.12820
   22    20 S   C    _C2_    22     1.53438   108.93945  -115.79697
   23    22 S   O    _O2_    23     1.23060   122.23282  -149.88857
   24    20 S   CT   _CB2    32     1.53437   111.24485   121.65602
   25    24 S   HC   HB21    33     1.09463   109.24144    57.74028
   26    24 S   HC   HB22    34     1.09496   110.69801   176.74202
   27    22 S   N    _N3_    24     1.38322   113.69582    37.69179
   28    27 S   H    _HN3    25     1.01604   119.51069    -3.75447
   29    24 S   S    _SG2    35     1.82761   110.81606   -63.41175
   30    27 S   CT   _CA3    26     1.45282   123.19481   176.96017
   31    30 S   HC   HA31    27     1.09550   107.52956   -63.93597
   32    30 S   HC   HA32    28     1.09557   107.95329    52.48506
   33    29 S   CT   _C15    36     1.83367   100.78837   173.01034
   34    33 S   HC   _H3_    37     1.09639   108.24974    56.69006
   35    30 S   CO3  _C3_    29     1.52950   114.10750   174.46565
   36    35 S   O2Z  _O31    30     1.26372   116.06692    -0.69125
   37    35 S   O2Z  _O32    31     1.26428   114.41186   179.37411
   38    33 S   CM   _C4_    38     1.49545   110.77556   -62.38913
   39    38 S   HC   _H36    39     1.09050   115.08637    89.94185
   40    38 S   CMA  _C7_    40     1.35102   126.60840   -96.18795
   41    40 S   OM   _O29    41     1.26349   126.14247  -171.92246
   42    40 S   CT   _C23    42     1.59931   119.75438     6.49579
   43    42 S   CT   _C16    43     1.61552   110.62490   109.07583
   44    43 S   HC   _H50    44     1.10179   106.26697   -53.28619
   45    42 S   C3T  _C25    94     1.57071   111.03469   -10.99816
   46    42 S   CT   _C28   104     1.56528   109.08971  -128.25194
   47    46 S   HC   _H63   105     1.09421   112.28401  -179.34062
   48    46 S   HC   _H64   106     1.09668   110.64630    61.41749
   49    46 S   HC   _H65   107     1.09411   113.24123   -58.81194
   50    43 S   CT   _C11    45     1.55857   114.40359    62.78266
   51    50 S   HC   _H41    46     1.09380   110.37332    48.91838
   52    50 S   HC   _H42    47     1.09404   109.66556   -68.27104
   53    33 S   CT   _C21    95     1.53291   110.70183   175.61264
   54    53 S   HC   _H55    96     1.09754   109.72762   -52.80042
   55    81 S   O3T  _O34    99     1.42132   116.13768   -50.30226
   56    50 S   CT   _C13    48     1.53636   115.98095   172.45036
   57    56 S   HC   _H45    49     1.09792   108.57716    69.77368
   58    56 S   HC   _H46    50     1.09360   108.01599  -175.49324
   59    53 S   OH   _O35    97     1.43120   110.65377  -168.73683
   60    59 S   HO   _H72    98     0.97176   107.67522    55.24295
   61    56 S   CT   _C24    51     1.53358   112.29012   -52.38874
   62    61 S   CT   _C17    52     1.54483   105.31550    58.11237
   63    62 S   HC   _H51    53     1.10352   107.99131    54.84231
   64    61 S   CT   _C29   100     1.54436   110.43114   -64.74665
   65    64 S   HC   _H66   101     1.09438   112.38683  -178.06194
   66    64 S   HC   _H67   102     1.09338   112.75306    61.57260
   67    64 S   HC   _H68   103     1.09478   110.90817   -57.51769
   68    62 S   CT   _C10    54     1.52369   103.84350   167.03072
   69    68 S   HC   _H39    55     1.09487   112.07434  -154.82843
   70    68 S   HC   _H40    56     1.09581   111.50026    84.50368
   71    43 S   CT   _C18    87     1.56569   112.35784  -168.98284
   72    71 S   HC   _H52    88     1.09481   109.44675   -54.07538
   73    68 S   CT   _C12    57     1.53332   104.23690   -34.61605
   74    73 S   HC   _H43    58     1.09532   109.31197   129.74737
   75    73 S   HC   _H44    59     1.09576   110.52594  -112.42654
   76    71 S   CT   _C14    89     1.53170   110.61226    64.84228
   77    76 S   HC   _H47    90     1.09763   109.72664    73.08472
   78    76 S   HC   _H48    91     1.09634   110.02928  -170.05446
   79    61 S   CT   _C19    60     1.56542   115.27651   166.58741
   80    79 S   HC   _H53    61     1.09828   105.69509   -41.48604
   81    76 S   C3T  _C20    92     1.47794   114.02683   -47.74477
   82    81 S   HC   _H54    93     1.08250   112.02080   171.22132
   83    79 S   CT   _C31    62     1.56093   121.48804    79.64543
   84    83 S   CT   _C22    63     1.56440   111.69219   179.56659
   85    84 S   HC   _H56    64     1.09855   108.59509   -63.85365
   86    83 S   CT   _C30    81     1.53536   111.93825   -55.00548
   87    86 S   HC   _H69    82     1.09555   111.64676  -172.06719
   88    86 S   HC   _H70    83     1.09407   111.89926   -50.89253
   89    86 S   HC   _H71    84     1.09376   111.23477    71.35223
   90    83 S   OH   _O36    85     1.43634   108.96743    62.81941
   91    90 S   HO   _H73    86     0.97338   107.47190   176.19857
   92    84 S   CT   _C9_    65     1.52326   114.88982    60.33560
   93    92 S   HC   _H37    66     1.09559   111.92563    54.25153
   94    92 S   HC   _H38    67     1.09365   109.50844   -65.66275
   95    92 S   CM   _C6_    68     1.50535   109.71756   174.36713
   96    95 S   CM   _C5_    69     1.34778   120.64884   -28.50464
   97    95 S   CT   _C27    77     1.50409   114.17485   152.06448
   98    97 S   HC   _H60    78     1.09479   110.13921   -70.62566
   99    97 S   HC   _H61    79     1.09216   113.53535   167.82289
  100    97 S   HC   _H62    80     1.09580   109.96178    48.58358
  101    96 S   CO4  _C8_    70     1.49125   119.38769    -5.25501
  102   101 S   O    _O30    71     1.22698   121.45738  -164.76392
  103    96 S   CT   _C26    73     1.50164   125.68234   177.47586
  104   103 S   HC   _H57    74     1.09469   110.31920   102.74134
  105   103 S   HC   _H58    75     1.09274   113.05907   -18.83734
  106   103 S   HC   _H59    76     1.09586   110.46850  -137.48308
  107    84 S   OS   _O33    72     1.44900   108.26183  -177.88261
  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   9   5   4   3
  13   7   2   1   1  10   4  14   4  21  24  10  16   8   2   1
   1  12   6   5   7   4   7  15   5   4   2   1  21  20   9   9
   3   2   1  11   6   5   8   4   8   4   3   4   3   2  12   4
   1   1  14  16   8   7   3   2   1   3   1  11   5   4  12  11
   5   2   1   1   6   2   4   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    53    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    45    53    54    59  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    81    45    53    54    59    60    55  
   38    39    40    45    53    54    59  
   36    37  
   37  
    0  
   39    40    41    42    43    45    53    54    59    46  
   40    41    42    53  
   41    42    43    44    50    71    81    45    53    55    46    47    48    49  
   42    43    45    46  
   43    44    50    51    52    56    62    71    72    76    81    82    45    53    54    59    55    46    47    48    49  
   44    50    51    52    56    57    58    61    62    63    68    71    72    76    77    78    81    45    53    55    46    47    48    49  
   50    51    52    56    62    71    72    76    45    46  
   53    54    59    60    55    46    47    48    49    50    71    76    77    78    81    82  
   47    48    49    50    53    55    71    81  
   48    49  
   49  
    0  
   51    52    56    57    58    61    62    79    71    72    76    64  
   52    56    57    58    61    71  
   56    57    58    61    71  
   54    59    60    55    76    81    82  
   59    60    55    81  
   59    71    76    77    78    81    82  
   57    58    61    62    63    68    73    79    80    83    71    64    65    66    67  
   58    61    62    79    64  
   61    62    79    64  
   60    81  
    0  
   62    63    68    69    70    73    74    75    79    80    83    84    86    90    71    72    76    64    65    66    67  
   63    68    69    70    73    74    75    79    80    83    71    72    76    77    78    81    64    65    66    67  
   68    69    70    73    79    71    72    76    64  
   65    66    67    68    71    73    79    80    83  
   66    67    79  
   67    79  
   79  
   69    70    73    74    75    79    80    83    71    72    76  
   70    73    74    75    79    71  
   73    74    75    79    71  
   72    76    77    78    81    82    73    79  
   76    77    78    81  
   74    75    79    80    83    84    86    90  
   75    79    80    83  
   79    80    83  
   77    78    81    82  
   78    81    82  
   81    82  
   80    83    84    85    92   107    86    87    88    89    90    91  
   83    84    86    90  
   82  
    0  
   84    85    92    93    94    95   101   107    86    87    88    89    90    91  
   85    92    93    94    95    96   101   102   107    97    86    87    88    89    90    91  
   92    93    94    95   101   107    86    90  
   87    88    89    90    91    92   107  
   88    89    90  
   89    90  
   90  
   91    92   107  
    0  
   93    94    95    96   101   107   103    97    98    99   100  
   94    95    96   107    97  
   95    96   107    97  
   96   101   102   107   103   104   105   106    97    98    99   100  
  101   102   107   103   104   105   106    97    98    99   100  
   98    99   100   101   103  
   99   100  
  100  
    0  
  102   107   103   104   105   106  
  107   103  
  104   105   106   107  
  105   106  
  106  
    0  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660   0.116200   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   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   84   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   86   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   91   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   92   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   95   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   96   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  105   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  106   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
  107   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    53   268.000  1.529
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   270.000  1.512
   42    43   268.000  1.529
   42    45   275.000  1.510
   42    46   268.000  1.529
   43    44   340.000  1.090
   43    50   268.000  1.529
   43    71   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    61   268.000  1.529
   61    62   268.000  1.529
   61    79   268.000  1.529
   61    64   268.000  1.529
   62    63   340.000  1.090
   62    68   268.000  1.529
   62    71   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    79   268.000  1.529
   79    80   340.000  1.090
   79    83   268.000  1.529
   83    84   268.000  1.529
   83    86   268.000  1.529
   83    90   320.000  1.410
   84    85   340.000  1.090
   84    92   268.000  1.529
   84   107   320.000  1.410
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    95   317.000  1.510
   95    96   549.000  1.340
   95    97   317.000  1.510
   96   101   320.000  1.462
   96   103   317.000  1.510
  101   102   570.000  1.229
  101   107   214.000  1.327
  103   104   340.000  1.090
  103   105   340.000  1.090
  103   106   340.000  1.090
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   90    91   553.000  0.945
   71    72   340.000  1.090
   71    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    81   275.000  1.510
   81    82   340.000  1.088
   81    45   260.000  1.509
   81    55   335.000  1.432
   45    53   275.000  1.510
   45    55   335.000  1.432
   53    54   340.000  1.090
   53    59   320.000  1.410
   59    60   553.000  0.945
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    53    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    53    45    70.00000  112.37300
   33    53    54    37.50000  110.70000
   33    53    59    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    65.00000  122.18000
   40    38    39    40.00000  120.50800
   40    42    43    70.00000  112.02700
   40    42    45    70.00000  112.02700
   40    42    46    70.00000  112.02700
   42    40    41    85.00000  112.85300
   42    43    44    37.50000  110.70000
   42    43    50    58.35000  112.70000
   42    43    71    58.35000  112.70000
   42    45    81    60.00000  120.94000
   42    45    53    58.35000  112.70000
   42    45    55    80.00000  116.47100
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    49    37.50000  110.70000
   43    50    51    37.50000  110.70000
   43    50    52    37.50000  110.70000
   43    50    56    58.35000  112.70000
   43    71    62    58.35000  112.70000
   43    71    72    37.50000  110.70000
   43    71    76    58.35000  112.70000
   50    43    44    37.50000  110.70000
   50    56    57    37.50000  110.70000
   50    56    58    37.50000  110.70000
   50    56    61    58.35000  112.70000
   52    50    51    33.00000  107.80000
   56    50    51    37.50000  110.70000
   56    50    52    37.50000  110.70000
   56    61    62    58.35000  112.70000
   56    61    79    58.35000  112.70000
   56    61    64    58.35000  112.70000
   58    56    57    33.00000  107.80000
   61    56    57    37.50000  110.70000
   61    56    58    37.50000  110.70000
   61    62    63    37.50000  110.70000
   61    62    68    58.35000  112.70000
   61    62    71    58.35000  112.70000
   61    79    73    58.35000  112.70000
   61    79    80    37.50000  110.70000
   61    79    83    58.35000  112.70000
   61    64    65    37.50000  110.70000
   61    64    66    37.50000  110.70000
   61    64    67    37.50000  110.70000
   62    68    69    37.50000  110.70000
   62    68    70    37.50000  110.70000
   62    68    73    58.35000  112.70000
   62    71    72    37.50000  110.70000
   62    71    76    58.35000  112.70000
   68    62    63    37.50000  110.70000
   68    73    74    37.50000  110.70000
   68    73    75    37.50000  110.70000
   68    73    79    58.35000  112.70000
   70    68    69    33.00000  107.80000
   73    68    69    37.50000  110.70000
   73    68    70    37.50000  110.70000
   73    79    80    37.50000  110.70000
   73    79    83    58.35000  112.70000
   75    73    74    33.00000  107.80000
   79    61    62    58.35000  112.70000
   79    73    74    37.50000  110.70000
   79    73    75    37.50000  110.70000
   79    83    84    58.35000  112.70000
   79    83    86    58.35000  112.70000
   79    83    90    50.00000  109.50000
   83    79    80    37.50000  110.70000
   83    84    85    37.50000  110.70000
   83    84    92    58.35000  112.70000
   83    84   107    50.00000  109.50000
   83    86    87    37.50000  110.70000
   83    86    88    37.50000  110.70000
   83    86    89    37.50000  110.70000
   83    90    91    55.00000  108.50000
   84    92    93    37.50000  110.70000
   84    92    94    37.50000  110.70000
   84    92    95    70.00000  112.02700
   84   107   101    83.00000  116.90000
   92    84    85    37.50000  110.70000
   92    95    96    70.00000  124.00000
   92    95    97    65.00000  117.92700
   94    92    93    33.00000  107.80000
   95    92    93    35.00000  109.50000
   95    92    94    35.00000  109.50000
   95    96   101    65.00000  118.96000
   95    96   103    70.00000  124.00000
   95    97    98    35.00000  109.50000
   95    97    99    35.00000  109.50000
   95    97   100    35.00000  109.50000
   96   101   102    80.00000  123.72100
   96   101   107    90.00000  111.29400
   96   103   104    35.00000  109.50000
   96   103   105    35.00000  109.50000
   96   103   106    35.00000  109.50000
  107    84    85    35.00000  109.50000
  107    84    92    50.00000  109.50000
  107   101   102    83.00000  123.40000
  103    96   101    65.00000  116.34900
  105   103   104    33.00000  107.80000
  106   103   104    33.00000  107.80000
  106   103   105    33.00000  107.80000
   97    95    96    70.00000  124.00000
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    33.00000  107.80000
   86    83    84    58.35000  112.70000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   90    83    84    50.00000  109.50000
   90    83    86    50.00000  109.50000
   71    43    44    37.50000  110.70000
   71    43    50    58.35000  112.70000
   71    62    63    37.50000  110.70000
   71    62    68    58.35000  112.70000
   71    76    77    37.50000  110.70000
   71    76    78    37.50000  110.70000
   71    76    81    70.00000  112.37300
   76    71    72    37.50000  110.70000
   76    81    82    40.00000  115.04500
   76    81    45    60.00000  120.94000
   76    81    55    80.00000  116.47100
   78    76    77    33.00000  107.80000
   81    76    77    45.00000  109.38400
   81    76    78    45.00000  109.38400
   81    45    53    60.00000  120.94000
   81    45    55    15.00000   60.43100
   81    55    45    15.00000   59.14900
   45    42    43    70.00000  112.37300
   45    81    82    37.50000  117.20000
   45    53    54    45.00000  109.38400
   45    53    59    50.00000  109.50000
   53    33    34    37.50000  110.70000
   53    33    38    70.00000  112.02700
   53    59    60    55.00000  108.50000
   59    53    54    35.00000  109.50000
   55    81    82    50.00000  114.27700
   55    81    45    15.00000   60.43100
   55    45    53    80.00000  116.47100
   64    61    62    58.35000  112.70000
   64    61    79    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   46    42    43    58.35000  112.70000
   46    42    45    70.00000  112.37300
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    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
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   95    96   101   102   1.00000 -1.0 2.0
   95    96   101   107  -0.56150  1.0 1.0
   95    96   101   107   2.19150 -1.0 2.0
   95    96   103   104   0.00000  1.0 1.0
   95    96   103   105   0.00000  1.0 1.0
   95    96   103   106   0.00000  1.0 1.0
   96    95    97    98   0.00000  1.0 1.0
   96    95    97    99   0.00000  1.0 1.0
   96    95    97   100   0.00000  1.0 1.0
   96   101  -107    84   2.00000 -1.0 2.0
  101    96   103   104   0.15000  1.0 3.0
  101    96   103   105   0.15000  1.0 3.0
  101    96   103   106   0.15000  1.0 3.0
  102   101   107    84   3.00000 -1.0 2.0
  107    84    92    93   0.23400  1.0 3.0
  107    84    92    94   0.23400  1.0 3.0
  107    84   -92    95   0.61850  1.0 1.0
  107    84   -92    95  -0.22750 -1.0 2.0
  107    84   -92    95   0.15300  1.0 3.0
  103    96   101   102  -0.64400  1.0 1.0
  103    96   101   102   0.26850 -1.0 2.0
  103    96   101   107  -0.15000  1.0 1.0
  103    96   101   107   0.89550 -1.0 2.0
  103    96   101   107  -0.06900  1.0 3.0
   97    95    96   101   7.00000 -1.0 2.0
   97    95    96   103   7.00000 -1.0 2.0
   86    83    84    85   0.15000  1.0 3.0
   86    83    84    92   0.56750  1.0 1.0
   86    83    84    92  -0.07550 -1.0 2.0
   86    83    84    92   0.20000  1.0 3.0
   86    83    84   107   0.62750  1.0 1.0
   86    83    84   107  -0.30950 -1.0 2.0
   86    83    84   107   0.27300  1.0 3.0
   86    83    90    91  -0.11600  1.0 1.0
   86    83    90    91  -0.09450 -1.0 2.0
   86    83    90    91   0.21250  1.0 3.0
   90    83    84    85   0.23400  1.0 3.0
   90    83    84    92   0.86500  1.0 1.0
   90    83    84    92  -0.17500 -1.0 2.0
   90    83    84    92   0.20800  1.0 3.0
   90    83    84   107   3.69350  1.0 1.0
   90    83    84   107  -1.82950 -1.0 2.0
   90    83    86    87   0.23400  1.0 3.0
   90    83    86    88   0.23400  1.0 3.0
   90    83    86    89   0.23400  1.0 3.0
   71    43    50    51   0.15000  1.0 3.0
   71    43    50    52   0.15000  1.0 3.0
   71    43   -50    56   0.56750  1.0 1.0
   71    43   -50    56  -0.07550 -1.0 2.0
   71    43   -50    56   0.20000  1.0 3.0
   71    62    68    69   0.15000  1.0 3.0
   71    62    68    70   0.15000  1.0 3.0
   71    62    68    73   0.56750  1.0 1.0
   71    62    68    73  -0.07550 -1.0 2.0
   71    62    68    73   0.20000  1.0 3.0
   71    76    81    82   0.15000  1.0 3.0
   71    76    81    45   0.07850  1.0 1.0
   71    76    81    45  -0.03950 -1.0 2.0
   71    76    81    45   0.67350  1.0 3.0
   71    76    81    55   0.02550  1.0 1.0
   71    76    81    55  -0.02600 -1.0 2.0
   71    76    81    55   1.20400  1.0 3.0
   72    71    76    77   0.15000  1.0 3.0
   72    71    76    78   0.15000  1.0 3.0
   72    71    76    81   0.15000  1.0 3.0
   76    81   -45    42   0.56750  1.0 1.0
   76    81   -45    42  -0.07550 -1.0 2.0
   76    81   -45    42   0.20000  1.0 3.0
   76    81    45    53   0.56750  1.0 1.0
   76    81    45    53  -0.07550 -1.0 2.0
   76    81    45    53   0.20000  1.0 3.0
   76    81   -45    55   0.02550  1.0 1.0
   76    81   -45    55  -0.02600 -1.0 2.0
   76    81   -45    55   1.20400  1.0 3.0
   76    81   -55    45   0.06250  1.0 1.0
   76    81   -55    45  -0.01100 -1.0 2.0
   76    81   -55    45   0.28050  1.0 3.0
   77    76    81    82   0.15000  1.0 3.0
   77    76    81    45   0.15000  1.0 3.0
   77    76    81    55   0.23400  1.0 3.0
   78    76    81    82   0.15000  1.0 3.0
   78    76    81    45   0.15000  1.0 3.0
   78    76    81    55   0.23400  1.0 3.0
   81    45    53    33   0.07850  1.0 1.0
   81    45    53    33  -0.03950 -1.0 2.0
   81    45    53    33   0.67350  1.0 3.0
   81    45    53    54   0.15000  1.0 3.0
   81    45    53    59   0.86500  1.0 1.0
   81    45    53    59  -0.17500 -1.0 2.0
   81    45    53    59   0.20800  1.0 3.0
   82    81    45    42   0.15000  1.0 3.0
   82    81    45    53   0.15000  1.0 3.0
   82    81   -45    55   0.23400  1.0 3.0
   82    81   -55    45   0.36800  1.0 3.0
   45    42    43    44   0.15000  1.0 3.0
   45    42    43    50   0.47050  1.0 1.0
   45    42    43    50   0.03900 -1.0 2.0
   45    42    43    50   0.20100  1.0 3.0
   45    42   -43    71   0.47050  1.0 1.0
   45    42   -43    71   0.03900 -1.0 2.0
   45    42   -43    71   0.20100  1.0 3.0
   45    42    46    47   0.15000  1.0 3.0
   45    42    46    48   0.15000  1.0 3.0
   45    42    46    49   0.15000  1.0 3.0
   45    53    59    60  -0.11600  1.0 1.0
   45    53    59    60  -0.09450 -1.0 2.0
   45    53    59    60   0.21250  1.0 3.0
   53    33    38    39   0.00000  1.0 1.0
   53    33   -38    40   0.09850  1.0 1.0
   53    33   -38    40   0.15250 -1.0 2.0
   53    33   -38    40  -0.50650  1.0 3.0
   53    45   -55    81   0.06250  1.0 1.0
   53    45   -55    81  -0.01100 -1.0 2.0
   53    45   -55    81   0.28050  1.0 3.0
   54    53    59    60   0.19450  1.0 3.0
   55    81   -45    42   0.02550  1.0 1.0
   55    81   -45    42  -0.02600 -1.0 2.0
   55    81   -45    42   1.20400  1.0 3.0
   55    81   -45    53   0.02550  1.0 1.0
   55    81   -45    53  -0.02600 -1.0 2.0
   55    81   -45    53   1.20400  1.0 3.0
   55    45    53    33   0.02550  1.0 1.0
   55    45    53    33  -0.02600 -1.0 2.0
   55    45    53    33   1.20400  1.0 3.0
   55    45    53    54   0.23400  1.0 3.0
   55    45    53    59   3.69350  1.0 1.0
   55    45    53    59  -1.82950 -1.0 2.0
   64    61    62    63   0.15000  1.0 3.0
   64    61    62    68   0.56750  1.0 1.0
   64    61    62    68  -0.07550 -1.0 2.0
   64    61    62    68   0.20000  1.0 3.0
   64    61    62    71   0.56750  1.0 1.0
   64    61    62    71  -0.07550 -1.0 2.0
   64    61    62    71   0.20000  1.0 3.0
   64    61    79    73   0.56750  1.0 1.0
   64    61    79    73  -0.07550 -1.0 2.0
   64    61    79    73   0.20000  1.0 3.0
   64    61    79    80   0.15000  1.0 3.0
   64    61    79    83   0.56750  1.0 1.0
   64    61    79    83  -0.07550 -1.0 2.0
   64    61    79    83   0.20000  1.0 3.0
   46    42    43    44   0.15000  1.0 3.0
   46    42    43    50   0.56750  1.0 1.0
   46    42    43    50  -0.07550 -1.0 2.0
   46    42    43    50   0.20000  1.0 3.0
   46    42    43    71   0.56750  1.0 1.0
   46    42    43    71  -0.07550 -1.0 2.0
   46    42    43    71   0.20000  1.0 3.0
   46    42    45    81   0.07850  1.0 1.0
   46    42    45    81  -0.03950 -1.0 2.0
   46    42    45    81   0.67350  1.0 3.0
   46    42    45    53   0.56750  1.0 1.0
   46    42    45    53  -0.07550 -1.0 2.0
   46    42    45    53   0.20000  1.0 3.0
   46    42    45    55   0.02550  1.0 1.0
   46    42    45    55  -0.02600 -1.0 2.0
   46    42    45    55   1.20400  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
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   92    97    95    96   1.10000 -1.0 2.0
  101   103    96    95   1.10000 -1.0 2.0
   96   107   101   102  10.50000 -1.0 2.0
END
