* LIGAND DATABASE FILE (OPLS2005)
*
001     100   105    201    335     606
    1     0 S   NP   _N1_     1    29.70166    90.56033   -21.10890
    2     1 S   H    _HN1     2     1.02784    78.36525  -104.79286
    3     1 S   H    _H1_     3     1.02949   117.30268    -0.06853
    4     1 S   H    _H2_     4     1.02836    29.47784    76.11029
    5     1 S   CT   _CA1     5     1.50064   124.44412   146.21846
    6     5 S   HC   _HA1     6     1.09577   105.28603    29.72280
    7     5 S   CO3  _C1_     7     1.53796   112.20899   -90.55697
    8     7 S   O2Z  _O11     8     1.26358   115.08548   -50.53532
    9     7 S   O2Z  _O12     9     1.26223   114.88376   128.76184
   10     5 S   CT   _CB1    10     1.53082   107.44332   147.55606
   11    10 S   HC   HB11    11     1.09822   109.46087   -51.17914
   12    10 S   HC   HB12    12     1.09821   110.43875    65.40775
   13    10 S   CT   _CG1    13     1.52969   112.52344  -172.24820
   14    13 S   HC   HG11    14     1.09565   110.42366   -60.68009
   15    13 S   HC   HG12    15     1.09639   110.08151    58.52601
   16    13 S   C    _CD1    16     1.51742   112.21907   178.91863
   17    16 S   O    _OE1    17     1.22727   123.26012    -6.24231
   18    16 S   N    _N2_    18     1.38574   111.57391   173.94026
   19    18 S   H    _HN2    19     1.01593   119.07579     1.94421
   20    18 S   CT1  _CA2    20     1.46294   123.44938  -178.70170
   21    20 S   HC   _HA2    21     1.09747   109.36162    -9.31093
   22    20 S   C    _C2_    22     1.53457   108.39813  -124.76193
   23    22 S   O    _O2_    23     1.23015   122.49049  -149.12803
   24    20 S   CT   _CB2    32     1.53876   111.27383   112.73258
   25    24 S   HC   HB21    33     1.08867   108.25083    56.39720
   26    24 S   HC   HB22    34     1.09317   109.04527   174.89282
   27    22 S   N    _N3_    24     1.38414   113.47065    38.52386
   28    27 S   H    _HN3    25     1.01633   119.44712    -3.73853
   29    24 S   S    _SG2    35     1.82964   110.18680   -66.16826
   30    27 S   CT   _CA3    26     1.45271   123.09705   176.92464
   31    30 S   HC   HA31    27     1.09553   107.53998   -63.51827
   32    30 S   HC   HA32    28     1.09560   107.92891    52.87982
   33    29 S   CT   _C10    36     1.99260   107.61579   162.19056
   34    30 S   CO3  _C3_    29     1.52919   114.15967   174.86065
   35    34 S   O2Z  _O31    30     1.26362   116.07477    -0.53082
   36    34 S   O2Z  _O32    31     1.26433   114.40718   179.52071
   37    33 S   CT   _C11    37     1.57308   114.68382    18.70381
   38    37 S   OM   _O36    38     1.32135   111.29356    48.03722
   39    37 S   HC   _H4_    39     1.09900   105.37970   176.93989
   40    33 S   CT   _C9_    82     1.71236   106.51503   144.52852
   41    37 S   CO4  _C12    40     1.53820   116.39528   -72.66631
   42    41 S   O    _O33    41     1.23286   122.71993   166.31436
   43    40 S   CT   _C29    83     1.56423   108.77324   -30.16367
   44    43 S   HC   _H30    84     1.09295   112.70224    78.52065
   45    43 S   HC   _H31    85     1.09532   111.63855   -43.63192
   46    43 S   HC   _H32    86     1.09185   112.92345  -160.04868
   47    41 S   OS   _O34    42     1.35272   118.38060   -19.57411
   48    47 S   CT   _C13    43     1.45068   126.57615    11.93040
   49    48 S   HC   _H5_    44     1.09400   105.42485    90.74288
   50    48 S   C5BC _C14    45     1.51255   108.86837  -158.10623
   51    33 S   CT   _C5_    53     1.60436   104.90614   -98.45232
   52    50 S   C5BC _C15    46     1.42674   127.81782    31.56279
   53    52 S   HA   _H16    47     1.08092   127.35272     0.89153
   54    51 S   CT   _C6_    54     1.57072   110.55127   -57.12437
   55    54 S   HC   _H12    55     1.09820   109.08178  -156.97676
   56    54 S   HC   _H13    56     1.09774   110.87030    88.25781
   57    51 S   CT   _C4_    97     1.56897   112.34567   179.45464
   58    57 S   HC   _H9_    98     1.09551   112.23707   -79.19248
   59    57 S   HC   _H10    99     1.09592   111.27802   161.47248
   60    57 S   HC   _H11   100     1.08643   114.78900    40.30783
   61    52 S   C5A  _C16    48     1.37413   106.72411  -179.18579
   62    61 S   HA   _H17    49     1.08018   133.84736  -179.78420
   63    54 S   CT   _C7_    57     1.53923   116.57672   -34.65507
   64    63 S   HC   _H14    58     1.09399   111.00734    96.93012
   65    63 S   HC   _H15    59     1.09250   106.76954  -148.29006
   66    61 S   OA   _O35    50     1.35598   110.45105     0.52265
   67    63 S   CT   _C8_    60     1.51903   110.72755   -26.88378
   68    67 S   HC   _H3_    61     1.09113   101.84799   -46.33536
   69    50 S   C5A  _C17    51     1.38232   127.29484  -146.40356
   70    69 S   HA   _H18    52     1.08047   133.52242    -1.01799
   71    67 S   CT   _C21    62     1.57291   117.18682  -155.14860
   72    71 S   CT   _C22    63     1.54566   112.45115   -68.70324
   73    72 S   HC   _H19    64     1.09030   111.08548   -90.77550
   74    72 S   HC   _H20    65     1.09432   111.15712    29.20485
   75    71 S   CT   _C20    76     1.54049   103.97769   162.61829
   76    75 S   HC   _H7_    77     1.10483   107.31959   -49.97261
   77    72 S   OS   _O38    66     1.44449   116.53657   149.75203
   78    75 S   CO4  _C19    78     1.50823   111.94095    60.48080
   79    78 S   O    _O37    79     1.22779   122.74011   123.31974
   80    77 S   CO4  _C23    67     1.35294   120.17278   -49.68489
   81    80 S   O    _O39    68     1.22630   122.34163  -159.69289
   82    78 S   CT   _C18    80     1.54854   114.15153   -60.75588
   83    82 S   HC   _H6_    81     1.09270   106.67798   -68.74741
   84    80 S   CT   _C24    69     1.50021   114.97894    20.61699
   85    84 S   HC   _H21    70     1.09642   107.04349   150.39024
   86    84 S   HC   _H22    71     1.09125   108.73441   -92.41111
   87    82 S   OH   _O41    87     1.41942   105.84969   176.66975
   88    87 S   HO   _H29    88     0.97209   107.87480    62.38096
   89    71 S   CT   _C25    72     1.53745   117.25393    56.97636
   90    89 S   HC   _H8_    73     1.09688   111.53426    29.88223
   91    89 S   OS   _O40    74     1.45950   106.34107   146.13221
   92    91 S   CT   _C26    75     1.44965   110.09332   -21.06067
   93    92 S   CT   _C27    89     1.52835   109.37886   119.85530
   94    93 S   HC   _H23    90     1.09631   110.46562    48.16531
   95    93 S   HC   _H24    91     1.08990   113.00734   -70.63544
   96    93 S   HC   _H25    92     1.09479   111.63276   168.28578
   97    92 S   CT   _C28    93     1.53424   106.91272  -123.01347
   98    97 S   HC   _H26    94     1.09626   110.76575   -63.12588
   99    97 S   HC   _H27    95     1.09478   111.52492   175.87650
  100    97 S   HC   _H28    96     1.09619   111.26172    54.44729
  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
  30   2   1   1  13   6   5  24   6   2  12   4   3   2   8  17
   6  10  14   6   4  12   6   5   4   2   1   1   4   2   9   4
   3   2  17   5   1   1  19  13   5   4  20   8   6  10   4   7
   4   4   2   6   4   3   1   1   5   2   9   8   7   3   2   1
   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    51    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    41    48    51    54    67    82    40    43    57  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    41    42    47    48    49    50    51    54    55    56    63    67    68    71    78    82    83    40    43    44    45    46    87    57    58    59    60  
   35    36  
   36  
    0  
   38    39    41    42    47    48    51    54    67    82    40    43    57  
   39    41    42    47    51    40  
   41    42    47    51    40  
   43    44    45    46    87    88    57    41    48    51    54    63    64    65    67    68    71    72    75    78    79    82    83    89  
   42    47    48    49    50    51  
   47    48  
   44    45    46    87    51    63    67    68    71    78    82    83  
   45    46    67    82  
   46    67    82  
   67    82  
   48    49    50    52    69    51    54    57  
   49    50    52    53    61    66    69    70    51    54    55    56    63    57    58    59    60  
   50    52    69    51    54    57  
   52    53    61    62    66    69    70    51    54    57  
   54    55    56    63    64    65    67    82    57    58    59    60    52    69  
   53    61    62    66    69    70  
   61    62    66    69  
   55    56    63    64    65    67    68    71    57    58    59    60  
   56    63    64    65    67    57  
   63    64    65    67    57  
   58    59    60    63  
   59    60  
   60  
    0  
   62    66    69    70  
   66    69  
   64    65    67    68    71    72    89    75    82  
   65    67    68    71  
   67    68    71  
   69    70  
   68    71    72    73    74    77    84    89    90    91    92    75    76    78    82    83    87  
   71    72    89    75    82  
   70  
    0  
   72    73    74    77    80    84    85    86    89    90    91    92    75    76    78    79    82    93    97  
   73    74    77    80    81    84    89    90    91    92    75    76    78  
   74    77    80    89    75  
   77    80    89    75  
   76    78    79    82    83    87    93    94    95    96    97    98    99   100    77    84    89    90    91    92  
   78    79    82    93    97    89    91    92  
   80    81    84    85    86    89  
   79    82    83    87    88    93    97    89    91    92  
   82    83    87    92  
   81    84    85    86    89    90    91  
   84    85    86    89  
   83    87    88    92  
   87    88  
   85    86    89    90    91    92  
   86    89    90    91  
   89    90    91  
   88  
    0  
   90    91    92    93    97  
   91    92  
   92    93    94    95    96    97    98    99   100  
   93    94    95    96    97    98    99   100  
   94    95    96    97    98    99   100  
   95    96    97  
   96    97  
   97  
   98    99   100  
   99   100  
  100  
    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   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   38   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   48   3.5000   0.0660   0.335000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5500   0.0760  -0.143000   2.0020   1.7750   0.001000000  -0.843144165
   51   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5500   0.0760  -0.154000   2.0020   1.7750   0.001000000  -0.843144165
   53   2.4200   0.0300   0.126000   1.3810   1.2100   0.030040813   0.268726247
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   62   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.9000   0.1400  -0.190000   1.6450   1.4500   0.001000000  -0.126889456
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5500   0.0700  -0.019000   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.142000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   72   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   74   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   75   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   78   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   80   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   81   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   82   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   86   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   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   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   90   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   91   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   92   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   93   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
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    51   268.000  1.529
   33    40   268.000  1.529
   37    38   570.000  1.307
   37    39   340.000  1.090
   37    41   317.000  1.522
   41    42   570.000  1.229
   41    47   214.000  1.327
   47    48   320.000  1.410
   48    49   340.000  1.090
   48    50   285.000  1.502
   48    51   268.000  1.529
   50    52   469.000  1.424
   50    69   546.000  1.367
   52    53   367.000  1.080
   52    61   546.000  1.367
   61    62   367.000  1.080
   61    66   340.000  1.360
   66    69   340.000  1.360
   69    70   367.000  1.080
   51    54   268.000  1.529
   51    57   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    67   268.000  1.529
   67    68   340.000  1.090
   67    71   268.000  1.529
   67    40   268.000  1.529
   71    72   268.000  1.529
   71    89   268.000  1.529
   71    75   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    77   320.000  1.410
   77    80   214.000  1.327
   80    81   570.000  1.229
   80    84   317.000  1.522
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    89   268.000  1.529
   89    90   340.000  1.090
   89    91   320.000  1.410
   91    92   320.000  1.410
   92    75   268.000  1.529
   92    93   268.000  1.529
   92    97   268.000  1.529
   75    76   340.000  1.090
   75    78   317.000  1.522
   78    79   570.000  1.229
   78    82   317.000  1.522
   82    83   340.000  1.090
   82    40   268.000  1.529
   82    87   320.000  1.410
   40    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   87    88   553.000  0.945
   93    94   340.000  1.090
   93    95   340.000  1.090
   93    96   340.000  1.090
   97    98   340.000  1.090
   97    99   340.000  1.090
   97   100   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   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  111.63000
   29    33    51    75.00000  111.63000
   29    33    40    75.00000  111.63000
   33    37    38    50.00000  109.50000
   33    37    39    37.50000  110.70000
   33    37    41    63.00000  111.10000
   33    51    48    58.35000  112.70000
   33    51    54    58.35000  112.70000
   33    51    57    58.35000  112.70000
   33    40    67    58.35000  112.70000
   33    40    82    58.35000  112.70000
   33    40    43    58.35000  112.70000
   37    41    42    80.00000  120.40000
   37    41    47    81.00000  111.40000
   39    37    38    45.00000  125.66300
   41    37    38    90.00000  108.74100
   41    37    39    35.00000  109.50000
   41    47    48    83.00000  116.90000
   47    41    42    83.00000  123.40000
   47    48    49    35.00000  109.50000
   47    48    50    85.00000  111.85700
   47    48    51    50.00000  109.50000
   48    50    52    60.00000  130.00000
   48    50    69    60.00000  130.00000
   48    51    54    58.35000  112.70000
   48    51    57    58.35000  112.70000
   50    48    49    35.00000  109.50000
   50    52    53    35.00000  127.50000
   50    52    61    70.00000  107.30000
   50    69    66    70.00000  110.60000
   50    69    70    35.00000  132.10000
   52    61    62    35.00000  132.10000
   52    61    66    70.00000  110.60000
   61    52    53    35.00000  125.70000
   61    66    69    70.00000  106.50000
   66    61    62    35.00000  113.40000
   66    69    70    35.00000  113.40000
   69    50    52    70.00000  107.30000
   51    33    37    58.35000  112.70000
   51    48    49    37.50000  110.70000
   51    48    50    70.00000  112.17500
   51    54    55    37.50000  110.70000
   51    54    56    37.50000  110.70000
   51    54    63    58.35000  112.70000
   51    57    58    37.50000  110.70000
   51    57    59    37.50000  110.70000
   51    57    60    37.50000  110.70000
   54    63    64    37.50000  110.70000
   54    63    65    37.50000  110.70000
   54    63    67    58.35000  112.70000
   56    54    55    33.00000  107.80000
   63    54    55    37.50000  110.70000
   63    54    56    37.50000  110.70000
   63    67    68    37.50000  110.70000
   63    67    71    58.35000  112.70000
   63    67    40    58.35000  112.70000
   65    63    64    33.00000  107.80000
   67    63    64    37.50000  110.70000
   67    63    65    37.50000  110.70000
   67    71    72    58.35000  112.70000
   67    71    89    58.35000  112.70000
   67    71    75    58.35000  112.70000
   67    40    82    58.35000  112.70000
   67    40    43    58.35000  112.70000
   71    67    68    37.50000  110.70000
   71    72    73    37.50000  110.70000
   71    72    74    37.50000  110.70000
   71    72    77    50.00000  109.50000
   71    89    84    58.35000  112.70000
   71    89    90    37.50000  110.70000
   71    89    91    50.00000  109.50000
   71    75    92    58.35000  112.70000
   71    75    76    37.50000  110.70000
   71    75    78    63.00000  111.10000
   72    77    80    83.00000  116.90000
   74    72    73    33.00000  107.80000
   77    72    73    35.00000  109.50000
   77    72    74    35.00000  109.50000
   77    80    81    83.00000  123.40000
   77    80    84    81.00000  111.40000
   80    84    85    35.00000  109.50000
   80    84    86    35.00000  109.50000
   80    84    89    63.00000  111.10000
   84    80    81    80.00000  120.40000
   84    89    90    37.50000  110.70000
   84    89    91    50.00000  109.50000
   86    84    85    33.00000  107.80000
   89    71    72    58.35000  112.70000
   89    84    85    37.50000  110.70000
   89    84    86    37.50000  110.70000
   89    91    92    60.00000  109.50000
   91    89    90    35.00000  109.50000
   91    92    75    50.00000  109.50000
   91    92    93    50.00000  109.50000
   91    92    97    50.00000  109.50000
   92    75    76    37.50000  110.70000
   92    75    78    63.00000  111.10000
   92    93    94    37.50000  110.70000
   92    93    95    37.50000  110.70000
   92    93    96    37.50000  110.70000
   92    97    98    37.50000  110.70000
   92    97    99    37.50000  110.70000
   92    97   100    37.50000  110.70000
   75    71    72    58.35000  112.70000
   75    71    89    58.35000  112.70000
   75    78    79    80.00000  120.40000
   75    78    82    70.00000  116.00000
   78    75    76    35.00000  109.50000
   78    82    83    35.00000  109.50000
   78    82    40    63.00000  111.10000
   78    82    87    90.00000  109.61100
   82    78    79    80.00000  120.40000
   82    40    43    58.35000  112.70000
   82    87    88    55.00000  108.50000
   40    33    37    58.35000  112.70000
   40    33    51    58.35000  112.70000
   40    67    68    37.50000  110.70000
   40    67    71    58.35000  112.70000
   40    82    83    37.50000  110.70000
   40    43    44    37.50000  110.70000
   40    43    45    37.50000  110.70000
   40    43    46    37.50000  110.70000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   87    82    83    35.00000  109.50000
   87    82    40    50.00000  109.50000
   93    92    75    58.35000  112.70000
   95    93    94    33.00000  107.80000
   96    93    94    33.00000  107.80000
   96    93    95    33.00000  107.80000
   97    92    75    58.35000  112.70000
   97    92    93    58.35000  112.70000
   99    97    98    33.00000  107.80000
  100    97    98    33.00000  107.80000
  100    97    99    33.00000  107.80000
   57    51    54    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    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
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
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   79    78    82    83   0.00000  1.0 1.0
   79    78    82    40   0.30150 -1.0 2.0
   79    78    82    87   0.30150 -1.0 2.0
   82    40    43    44   0.15000  1.0 3.0
   82    40    43    45   0.15000  1.0 3.0
   82    40    43    46   0.15000  1.0 3.0
   83    82    40    33   0.15000  1.0 3.0
   83    82    40    67   0.15000  1.0 3.0
   83    82    40    43   0.15000  1.0 3.0
   83    82    87    88   0.19450  1.0 3.0
   40    33    37    38   0.62750  1.0 1.0
   40    33    37    38  -0.30950 -1.0 2.0
   40    33    37    38   0.27300  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    41  -0.95700  1.0 1.0
   40    33    37    41  -0.18200 -1.0 2.0
   40    33    37    41   0.29450  1.0 3.0
   40    33    51    48   0.56750  1.0 1.0
   40    33    51    48  -0.07550 -1.0 2.0
   40    33    51    48   0.20000  1.0 3.0
   40    33   -51    54   0.56750  1.0 1.0
   40    33   -51    54  -0.07550 -1.0 2.0
   40    33   -51    54   0.20000  1.0 3.0
   40    33    51    57   0.56750  1.0 1.0
   40    33    51    57  -0.07550 -1.0 2.0
   40    33    51    57   0.20000  1.0 3.0
   40    67    71    72   0.56750  1.0 1.0
   40    67    71    72  -0.07550 -1.0 2.0
   40    67    71    72   0.20000  1.0 3.0
   40    67    71    89   0.56750  1.0 1.0
   40    67    71    89  -0.07550 -1.0 2.0
   40    67    71    89   0.20000  1.0 3.0
   40    67   -71    75   0.56750  1.0 1.0
   40    67   -71    75  -0.07550 -1.0 2.0
   40    67   -71    75   0.20000  1.0 3.0
   40    82    87    88  -0.11600  1.0 1.0
   40    82    87    88  -0.09450 -1.0 2.0
   40    82    87    88   0.21250  1.0 3.0
   87    82    40    33   0.86500  1.0 1.0
   87    82    40    33  -0.17500 -1.0 2.0
   87    82    40    33   0.20800  1.0 3.0
   87    82    40    67   0.86500  1.0 1.0
   87    82    40    67  -0.17500 -1.0 2.0
   87    82    40    67   0.20800  1.0 3.0
   87    82    40    43   0.86500  1.0 1.0
   87    82    40    43  -0.17500 -1.0 2.0
   87    82    40    43   0.20800  1.0 3.0
   93    92    75    71   0.56750  1.0 1.0
   93    92    75    71  -0.07550 -1.0 2.0
   93    92    75    71   0.20000  1.0 3.0
   93    92    75    76   0.15000  1.0 3.0
   93    92    75    78  -0.95700  1.0 1.0
   93    92    75    78  -0.18200 -1.0 2.0
   93    92    75    78   0.29450  1.0 3.0
   93    92    97    98   0.15000  1.0 3.0
   93    92    97    99   0.15000  1.0 3.0
   93    92    97   100   0.15000  1.0 3.0
   97    92    75    71   0.56750  1.0 1.0
   97    92    75    71  -0.07550 -1.0 2.0
   97    92    75    71   0.20000  1.0 3.0
   97    92    75    76   0.15000  1.0 3.0
   97    92    75    78  -0.95700  1.0 1.0
   97    92    75    78  -0.18200 -1.0 2.0
   97    92    75    78   0.29450  1.0 3.0
   97    92    93    94   0.15000  1.0 3.0
   97    92    93    95   0.15000  1.0 3.0
   97    92    93    96   0.15000  1.0 3.0
   57    51    54    55   0.15000  1.0 3.0
   57    51    54    56   0.15000  1.0 3.0
   57    51    54    63   0.56750  1.0 1.0
   57    51    54    63  -0.07550 -1.0 2.0
   57    51    54    63   0.20000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   37    47    41    42  10.50000 -1.0 2.0
   52    69    50    48   4.00000 -1.0 2.0
   61    53    52    50   1.10000 -1.0 2.0
   66    62    61    52   1.10000 -1.0 2.0
   66    70    69    50   1.10000 -1.0 2.0
   77    84    80    81  10.50000 -1.0 2.0
   75    82    78    79  10.50000 -1.0 2.0
END
