* LIGAND DATABASE FILE (OPLS2005)
*
001     101   104    198    321     590
    1     0 S   NP   _N1_     1    28.62590    94.59050   -22.50341
    2     1 S   H    _HN1     2     1.02835    27.53309   165.71549
    3     1 S   H    _H1_     3     1.02778    98.19581   -80.97423
    4     1 S   H    _H2_     4     1.02961    86.56508    27.05129
    5     1 S   CT   _CA1     5     1.50120   136.86740   143.55839
    6     5 S   HC   _HA1     6     1.09576   105.23542    69.89987
    7     5 S   CO3  _C1_     7     1.53783   112.37364   -50.30285
    8     7 S   O2Z  _O11     8     1.26358   115.00960   -44.37540
    9     7 S   O2Z  _O12     9     1.26240   114.91157   134.79472
   10     5 S   CT   _CB1    10     1.53089   107.41495  -172.22274
   11    10 S   HC   HB11    11     1.09825   109.30804   -51.06754
   12    10 S   HC   HB12    12     1.09821   110.41979    65.46159
   13    10 S   CT   _CG1    13     1.53012   112.69779  -172.19548
   14    13 S   HC   HG11    14     1.09597   110.41538   -63.71653
   15    13 S   HC   HG12    15     1.09648   110.02436    55.51959
   16    13 S   C    _CD1    16     1.51808   112.28208   175.82862
   17    16 S   O    _OE1    17     1.22726   123.25557    -3.47142
   18    16 S   N    _N2_    18     1.38651   111.66698   176.81469
   19    18 S   H    _HN2    19     1.01585   119.06032     1.15318
   20    18 S   CT1  _CA2    20     1.46154   123.27301  -179.65850
   21    20 S   HC   _HA2    21     1.09745   109.34400    -8.67858
   22    20 S   C    _C2_    22     1.53433   108.55562  -124.30407
   23    22 S   O    _O2_    23     1.23027   122.14484  -146.55748
   24    20 S   CT   _CB2    32     1.53400   111.62722   113.24068
   25    24 S   HC   HB21    33     1.09523   110.05801    56.97476
   26    24 S   HC   HB22    34     1.09528   110.03962   175.86900
   27    22 S   N    _N3_    24     1.38474   113.45710    40.85256
   28    27 S   H    _HN3    25     1.01521   118.94144    -0.83813
   29    24 S   S    _SG2    35     1.82698   111.72787   -64.48423
   30    27 S   CT   _CA3    26     1.45457   123.54124   175.05078
   31    30 S   HC   HA31    27     1.09514   109.38729    21.80726
   32    30 S   HC   HA32    28     1.09500   107.10033   138.83170
   33    29 S   CT   _C15    36     1.83725    99.46070  -178.66925
   34    33 S   HC   _H3_    37     1.09558   107.27195    43.02074
   35    30 S   CO3  _C3_    29     1.52909   112.94948  -101.76441
   36    35 S   O2Z  _O31    30     1.26412   115.32895   -46.52411
   37    35 S   O2Z  _O32    31     1.26342   115.03279   134.35686
   38    33 S   CT   _C10    38     1.55239   110.39852   -76.74175
   39    38 S   HC   _H37    39     1.09486   112.87659    16.98180
   40    38 S   CO4  _C6_    40     1.51990   102.83308   -99.87004
   41    40 S   O    _O25    41     1.22543   123.55915   178.98586
   42    38 S   CT   _C20    98     1.52334   112.57018   141.64340
   43    42 S   HC   _H43    99     1.09513   111.94282    58.48719
   44    42 S   HC   _H44   100     1.09471   110.69085   -62.43317
   45    42 S   HC   _H45   101     1.09542   110.59858   177.94177
   46    40 S   CT   _C16    42     1.51879   111.90066     0.50668
   47    46 S   CT   _C8_    43     1.52085   114.53880  -148.55339
   48    47 S   HC   _H34    44     1.09670   111.19571    69.48786
   49    47 S   HC   _H35    45     1.09882   107.75378   -46.19845
   50    33 S   CT   _C12    59     1.55916   115.77688   165.86748
   51    50 S   HC   _H39    60     1.10504   102.47004  -171.44926
   52    46 S   OH   _O28    96     1.42576   102.37212    91.83993
   53    52 S   HO   _H65    97     0.97314   108.17498    71.69396
   54    47 S   CM   _C5_    46     1.51198   114.31368  -165.26057
   55    54 S   CM   _C4_    47     1.34736   125.97944   -23.51936
   56    55 S   HC   _H33    48     1.09204   115.81531   173.68726
   57    54 S   CT   _C25    91     1.51133   114.36959   152.74146
   58    57 S   HC   _H58    92     1.09529   110.24157   -58.35756
   59    57 S   HC   _H59    93     1.09503   112.39790  -178.95864
   60    55 S   CT   _C9_    49     1.53182   131.59323    -9.61241
   61    60 S   HC   _H36    50     1.09180   106.53664    94.27155
   62    57 S   OH   _O30    94     1.42159   109.25676    61.19797
   63    62 S   HO   _H67    95     0.97219   107.00410  -179.05560
   64    60 S   C3T  _C11    51     1.53401   107.33451  -148.76277
   65    64 S   HC   _H38    52     1.08875   111.01702    41.31195
   66    64 S   C3T  _C18    53     1.51031   119.34561   178.79180
   67    66 S   CT   _C14    54     1.50795   113.97611    -6.36797
   68    67 S   HC   _H41    55     1.09614   109.05974  -164.71238
   69    64 S   C3T  _C19    69     1.51760   124.47094  -107.32152
   70    66 S   OS   _O33    78     1.45394   114.02487  -137.22137
   71    67 S   CT   _C13    56     1.55380   111.79149   -44.22146
   72    71 S   HC   _H40    57     1.08989   104.36046   168.17088
   73    67 S   OH   _O27    67     1.42089   111.25545    80.09168
   74    73 S   HO   _H64    68     0.97216   108.30402  -178.42666
   75    69 S   CT   _C22    70     1.50895   122.29952     2.42414
   76    75 S   HC   _H49    71     1.09536   109.69969  -144.44732
   77    75 S   HC   _H50    72     1.09603   110.10562    97.23283
   78    75 S   HC   _H51    73     1.08950   115.19561   -22.55174
   79    69 S   CT   _C23    74     1.51799   115.76660   143.60547
   80    79 S   HC   _H52    75     1.09491   110.24839   152.06035
   81    79 S   HC   _H53    76     1.09499   112.68067    31.21891
   82    79 S   HC   _H54    77     1.09539   110.24617   -88.42352
   83    70 S   CO4  _C7_    79     1.36756   117.67028  -148.93926
   84    83 S   O    _O26    80     1.22277   125.60556     0.19584
   85    60 S   CT   _C17    58     1.57292   117.39491   -26.49585
   86    71 S   CT   _C21    63     1.53970   110.20887   -81.01789
   87    86 S   HC   _H46    64     1.09380   112.37448    64.55198
   88    86 S   HC   _H47    65     1.09580   110.48682   -55.38510
   89    86 S   HC   _H48    66     1.09532   110.74114  -173.84744
   90    83 S   CT   _C26    81     1.51031   108.88610  -179.85329
   91    90 S   HC   _H60    82     1.09581   108.15023   -58.80181
   92    90 S   HC   _H61    83     1.09581   108.14950    59.16145
   93    85 S   OH   _O29    61     1.46023   104.44921   -49.19014
   94    93 S   HO   _H66    62     0.97106   108.87161   -54.45251
   95    90 S   CT   _C27    84     1.52631   111.93774  -179.80416
   96    95 S   HC   _H62    85     1.09663   109.95030   -58.64750
   97    95 S   HC   _H63    86     1.09664   109.94583    58.60845
   98    95 S   CT   _C24    87     1.51986   111.51074   179.98022
   99    98 S   HC   _H55    88     1.09469   110.99801   -60.25944
  100    98 S   HC   _H56    89     1.09468   110.99707    60.26101
  101    98 S   HC   _H57    90     1.09449   110.26715  -179.98022
  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  10   5   4   3
  18   8   2   1   1  13   8  15   5   5   2   1   1  14  15   6
   5  15   5   3   1  11  14   5   5   3   2  15   7   1   1  19
   7  21  16   8  13  10  10   7   3   1   7   3   2   1   3   2
   1   1   8   4   6   4   2   1   1   9   5   4   1   1   6   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    46    85    50    51    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    46    47    60    71    85    50    51    93    52    42    43    44    45  
   38    39    40    46    85    50    51    42  
   36    37  
   37  
    0  
   39    40    41    46    47    85    50    51    52    42    43    44    45  
   40    41    46    50    42    43    44    45  
   41    46    47    48    49    54    85    50    51    52    53    42    43    44    45  
   46    47    50    52    42  
   43    44    45    46    50  
   44    45  
   45  
    0  
   47    48    49    54    55    60    71    85    50    51    93    57    52    53  
   48    49    54    55    56    60    85    50    51    57    58    59    62    52    53  
   49    54    55    50    57    52  
   54    55    50    57    52  
   51    93    94    86    52    53    54    55    60    61    64    67    71    72    85  
   93    52    60    71    85  
   53    54    85  
    0  
   55    56    60    61    64    85    57    58    59    62    63  
   56    60    61    64    65    66    71    85    93    69    57    58    59    62  
   60    61    64    85    57  
   58    59    62    63    60  
   59    62    63  
   62    63  
   61    64    65    66    67    71    72    85    93    94    86    69    75    79    70  
   64    65    66    71    85    93    69  
   63  
    0  
   65    66    67    68    71    85    93    73    69    75    76    77    78    79    80    81    82    70    83  
   66    67    85    69    75    79    70  
   67    68    71    72    85    86    73    74    69    75    76    77    78    79    80    81    82    70    83    84    90  
   68    71    72    85    93    86    87    88    89    73    74    69    75    79    70    83  
   71    72    85    86    73    74    69    70  
   75    76    77    78    79    80    81    82    70    83    71    73    85  
   83    84    90    91    92    95    71    73    75    79  
   72    85    93    94    86    87    88    89    73    74  
   85    93    86    87    88    89    73  
   74    85    86  
    0  
   76    77    78    79    80    81    82  
   77    78    79  
   78    79  
   79  
   80    81    82  
   81    82  
   82  
    0  
   84    90    91    92    95    96    97    98  
   90    91    92    95  
   93    94    86    87    88    89  
   87    88    89    93  
   88    89  
   89  
    0  
   91    92    95    96    97    98    99   100   101  
   92    95    96    97    98  
   95    96    97    98  
   94  
    0  
   96    97    98    99   100   101  
   97    98    99   100   101  
   98    99   100   101  
   99   100   101  
  100   101  
  101  
    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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   53   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   55   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   63   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   64   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   67   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   70   3.0000   0.1700  -0.302500   1.7660   1.5600   0.020110767  -0.896042159
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   84   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   85   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   92   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   93   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   94   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   95   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   97   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   98   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   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    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   268.000  1.529
   33    50   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.522
   38    42   268.000  1.529
   40    41   570.000  1.229
   40    46   317.000  1.522
   46    47   268.000  1.529
   46    50   268.000  1.529
   46    52   320.000  1.410
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    54   317.000  1.510
   54    55   549.000  1.340
   54    57   317.000  1.510
   55    56   340.000  1.080
   55    60   317.000  1.510
   60    61   340.000  1.090
   60    64   275.000  1.510
   60    85   268.000  1.529
   64    65   340.000  1.088
   64    66   260.000  1.509
   64    69   260.000  1.509
   66    67   275.000  1.510
   66    69   260.000  1.509
   66    70   320.000  1.410
   67    68   340.000  1.090
   67    71   268.000  1.529
   67    73   320.000  1.410
   71    72   340.000  1.090
   71    85   268.000  1.529
   71    86   268.000  1.529
   85    50   268.000  1.529
   85    93   320.000  1.410
   50    51   340.000  1.090
   93    94   553.000  0.945
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   73    74   553.000  0.945
   69    75   275.000  1.510
   69    79   275.000  1.510
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   70    83   214.000  1.327
   83    84   570.000  1.229
   83    90   317.000  1.522
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    95   268.000  1.529
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   268.000  1.529
   98    99   340.000  1.090
   98   100   340.000  1.090
   98   101   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    62   320.000  1.410
   62    63   553.000  0.945
   52    53   553.000  0.945
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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  111.63000
   29    33    50    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    63.00000  111.10000
   33    38    42    58.35000  112.70000
   33    50    46    58.35000  112.70000
   33    50    85    58.35000  112.70000
   33    50    51    37.50000  110.70000
   38    33    34    37.50000  110.70000
   38    40    41    80.00000  120.40000
   38    40    46    70.00000  116.00000
   38    42    43    37.50000  110.70000
   38    42    44    37.50000  110.70000
   38    42    45    37.50000  110.70000
   40    38    39    35.00000  109.50000
   40    46    47    63.00000  111.10000
   40    46    50    63.00000  111.10000
   40    46    52    90.00000  109.61100
   46    40    41    80.00000  120.40000
   46    47    48    37.50000  110.70000
   46    47    49    37.50000  110.70000
   46    47    54    70.00000  112.02700
   46    50    85    58.35000  112.70000
   46    50    51    37.50000  110.70000
   46    52    53    55.00000  108.50000
   47    54    55    70.00000  124.00000
   47    54    57    65.00000  117.92700
   49    47    48    33.00000  107.80000
   54    47    48    35.00000  109.50000
   54    47    49    35.00000  109.50000
   54    55    56    35.00000  120.00000
   54    55    60    70.00000  124.00000
   54    57    58    35.00000  109.50000
   54    57    59    35.00000  109.50000
   54    57    62    90.00000  110.39200
   55    60    61    35.00000  109.50000
   55    60    64    70.00000  112.02700
   55    60    85    70.00000  112.02700
   60    55    56    35.00000  117.00000
   60    64    65    40.00000  115.04500
   60    64    66    60.00000  120.94000
   60    64    69    60.00000  120.94000
   60    85    71    58.35000  112.70000
   60    85    50    58.35000  112.70000
   60    85    93    50.00000  109.50000
   64    60    61    45.00000  109.38400
   64    66    67    60.00000  120.94000
   64    66    69    10.00000   60.00500
   64    66    70    50.00000  109.50000
   64    69    66    10.00000   60.00500
   64    69    75    60.00000  120.94000
   64    69    79    60.00000  120.94000
   66    64    65    37.50000  117.20000
   66    67    68    45.00000  109.38400
   66    67    71    70.00000  112.37300
   66    67    73    50.00000  109.50000
   66    69    75    60.00000  120.94000
   66    69    79    60.00000  120.94000
   66    70    83    83.00000  116.90000
   67    71    72    37.50000  110.70000
   67    71    85    58.35000  112.70000
   67    71    86    58.35000  112.70000
   67    73    74    55.00000  108.50000
   71    67    68    37.50000  110.70000
   71    85    50    58.35000  112.70000
   71    85    93    50.00000  109.50000
   71    86    87    37.50000  110.70000
   71    86    88    37.50000  110.70000
   71    86    89    37.50000  110.70000
   85    60    61    37.50000  110.70000
   85    60    64    70.00000  112.37300
   85    71    72    37.50000  110.70000
   85    50    51    37.50000  110.70000
   85    93    94    55.00000  108.50000
   50    33    34    37.50000  110.70000
   50    33    38    58.35000  112.70000
   50    46    47    58.35000  112.70000
   93    85    50    50.00000  109.50000
   86    71    72    37.50000  110.70000
   86    71    85    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
   73    67    68    35.00000  109.50000
   73    67    71    50.00000  109.50000
   69    64    65    37.50000  117.20000
   69    64    66    10.00000   60.00500
   69    66    67    60.00000  120.94000
   69    75    76    45.00000  109.38400
   69    75    77    45.00000  109.38400
   69    75    78    45.00000  109.38400
   69    79    80    45.00000  109.38400
   69    79    81    45.00000  109.38400
   69    79    82    45.00000  109.38400
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   79    69    75    58.35000  112.70000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   70    66    67    50.00000  109.50000
   70    66    69    50.00000  109.50000
   70    83    84    83.00000  123.40000
   70    83    90    81.00000  111.40000
   83    90    91    35.00000  109.50000
   83    90    92    35.00000  109.50000
   83    90    95    63.00000  111.10000
   90    83    84    80.00000  120.40000
   90    95    96    37.50000  110.70000
   90    95    97    37.50000  110.70000
   90    95    98    58.35000  112.70000
   92    90    91    33.00000  107.80000
   95    90    91    37.50000  110.70000
   95    90    92    37.50000  110.70000
   95    98    99    37.50000  110.70000
   95    98   100    37.50000  110.70000
   95    98   101    37.50000  110.70000
   97    95    96    33.00000  107.80000
   98    95    96    37.50000  110.70000
   98    95    97    37.50000  110.70000
  100    98    99    33.00000  107.80000
  101    98    99    33.00000  107.80000
  101    98   100    33.00000  107.80000
   57    54    55    70.00000  124.00000
   57    62    63    55.00000  108.50000
   59    57    58    33.00000  107.80000
   62    57    58    35.00000  109.50000
   62    57    59    35.00000  109.50000
   52    46    47    50.00000  109.50000
   52    46    50    50.00000  109.50000
   42    38    39    37.50000  110.70000
   42    38    40    63.00000  111.10000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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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   70    66   -69    64  -0.26800  1.0 1.0
   70    66   -69    64   0.69150 -1.0 2.0
   70    66   -69    64  -0.48750  1.0 3.0
   70    66    69    75   0.62750  1.0 1.0
   70    66    69    75  -0.30950 -1.0 2.0
   70    66    69    75   0.27300  1.0 3.0
   70    66    69    79   0.62750  1.0 1.0
   70    66    69    79  -0.30950 -1.0 2.0
   70    66    69    79   0.27300  1.0 3.0
   70    83    90    91   0.00000  1.0 1.0
   70    83    90    92   0.00000  1.0 1.0
   70    83    90    95   0.36750  1.0 3.0
   83    90    95    96  -0.11250  1.0 3.0
   83    90    95    97  -0.11250  1.0 3.0
   83    90    95    98  -0.95700  1.0 1.0
   83    90    95    98  -0.18200 -1.0 2.0
   83    90    95    98   0.29450  1.0 3.0
   84    83    90    91   0.00000  1.0 1.0
   84    83    90    92   0.00000  1.0 1.0
   84    83    90    95   0.30150 -1.0 2.0
   90    95    98    99   0.15000  1.0 3.0
   90    95    98   100   0.15000  1.0 3.0
   90    95    98   101   0.15000  1.0 3.0
   91    90    95    96   0.15000  1.0 3.0
   91    90    95    97   0.15000  1.0 3.0
   91    90    95    98   0.15000  1.0 3.0
   92    90    95    96   0.15000  1.0 3.0
   92    90    95    97   0.15000  1.0 3.0
   92    90    95    98   0.15000  1.0 3.0
   96    95    98    99   0.15000  1.0 3.0
   96    95    98   100   0.15000  1.0 3.0
   96    95    98   101   0.15000  1.0 3.0
   97    95    98    99   0.15000  1.0 3.0
   97    95    98   100   0.15000  1.0 3.0
   97    95    98   101   0.15000  1.0 3.0
   57    54    55    56   7.00000 -1.0 2.0
   57    54    55    60   7.00000 -1.0 2.0
   58    57    62    63   0.19450  1.0 3.0
   59    57    62    63   0.19450  1.0 3.0
   52    46    47    48   0.23400  1.0 3.0
   52    46    47    49   0.23400  1.0 3.0
   52    46    47    54   1.05650  1.0 1.0
   52    46    47    54   0.15600 -1.0 2.0
   52    46    47    54   0.53150  1.0 3.0
   52    46    50    33   0.86500  1.0 1.0
   52    46    50    33  -0.17500 -1.0 2.0
   52    46    50    33   0.20800  1.0 3.0
   52    46    50    85   0.86500  1.0 1.0
   52    46    50    85  -0.17500 -1.0 2.0
   52    46    50    85   0.20800  1.0 3.0
   52    46    50    51   0.23400  1.0 3.0
   42    38    40    41   0.30150 -1.0 2.0
   42    38    40    46   0.60050  1.0 1.0
   42    38    40    46   0.05600 -1.0 2.0
   42    38    40    46   0.26150  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
   38    46    40    41  10.50000 -1.0 2.0
   47    57    54    55   1.10000 -1.0 2.0
   60    56    55    54   1.10000 -1.0 2.0
   70    90    83    84  10.50000 -1.0 2.0
END
