* LIGAND DATABASE FILE (OPLS2005)
*
001      98   101    193    309     583
    1     0 S   NP   _N1_     1    28.82705    94.07587   -25.18619
    2     1 S   H    _HN1     2     1.02784   113.42363   -91.33430
    3     1 S   H    _H1_     3     1.02951    84.32905    16.23756
    4     1 S   H    _H2_     4     1.02829    22.98203  -171.89126
    5     1 S   CT   _CA1     5     1.50113   123.71944   127.02310
    6     5 S   HC   _HA1     6     1.09573   105.20626    80.65973
    7     5 S   CO3  _C1_     7     1.53794   112.44337   -39.58011
    8     7 S   O2Z  _O11     8     1.26372   115.00561   -42.81215
    9     7 S   O2Z  _O12     9     1.26240   114.94805   136.33569
   10     5 S   CT   _CB1    10     1.53087   107.42421  -161.36208
   11    10 S   HC   HB11    11     1.09831   109.38134   -49.86281
   12    10 S   HC   HB12    12     1.09814   110.43834    66.74373
   13    10 S   CT   _CG1    13     1.52986   112.60345  -170.85890
   14    13 S   HC   HG11    14     1.09588   110.59192   -65.08042
   15    13 S   HC   HG12    15     1.09669   109.82315    54.14417
   16    13 S   C    _CD1    16     1.51803   112.28045   174.58825
   17    16 S   O    _OE1    17     1.22727   123.30836     5.04306
   18    16 S   N    _N2_    18     1.38647   111.62691  -175.04172
   19    18 S   H    _HN2    19     1.01582   118.94356     1.76503
   20    18 S   CT1  _CA2    20     1.46212   123.42528   178.00178
   21    20 S   HC   _HA2    21     1.09736   109.37084     1.17952
   22    20 S   C    _C2_    22     1.53533   108.61490  -114.30912
   23    22 S   O    _O2_    23     1.23055   122.30567  -148.23802
   24    20 S   CT   _CB2    32     1.53331   111.52564   123.17647
   25    24 S   HC   HB21    33     1.09593   109.98204    55.81013
   26    24 S   HC   HB22    34     1.09389   110.11227   174.87233
   27    22 S   N    _N3_    24     1.38339   113.68953    39.23852
   28    27 S   H    _HN3    25     1.01593   119.57647    -3.42102
   29    24 S   S    _SG2    35     1.82770   111.44558   -64.87588
   30    27 S   CT   _CA3    26     1.45285   123.17493   177.07390
   31    30 S   HC   HA31    27     1.09550   107.51189   -64.39110
   32    30 S   HC   HA32    28     1.09558   107.97579    52.03496
   33    29 S   CT   _C15    36     1.85369    99.69846   175.63969
   34    33 S   HC   _H3_    37     1.09776   107.62136   -20.71902
   35    30 S   CO3  _C3_    29     1.52948   114.10730   174.03001
   36    35 S   O2Z  _O31    30     1.26374   116.07402    -0.72416
   37    35 S   O2Z  _O32    31     1.26431   114.40777   179.33618
   38    33 S   CT   _C8_    38     1.54062   107.73315    96.54427
   39    38 S   HC   _H36    39     1.09539   111.78698    48.03393
   40    38 S   CO4  _C4_    40     1.52896   108.71840   168.57869
   41    40 S   O    _O23    41     1.23234   121.10619   116.38651
   42    38 S   OS   _O29    94     1.42922   108.68449   -73.01124
   43    40 S   CT   _C16    42     1.55096   116.23751   -59.41252
   44    42 S   CT   _C24    95     1.42234   112.93102   153.80027
   45    44 S   HC   _H56    96     1.09323   108.24435   177.08167
   46    44 S   HC   _H57    97     1.09389   111.10313    57.86640
   47    44 S   HC   _H58    98     1.09426   110.22164   -64.43494
   48    43 S   CT   _C9_    43     1.56871   100.65557    66.15009
   49    48 S   HC   _H37    44     1.10254   106.87676    51.67041
   50    43 S   CT   _C21    90     1.54174   108.80885   -54.28030
   51    50 S   HC   _H47    91     1.08743   113.02218   178.73236
   52    50 S   HC   _H48    92     1.09246   113.49664    58.81950
   53    50 S   HC   _H49    93     1.09514   111.17520   -59.86041
   54    48 S   CT   _C7_    45     1.53748   112.48749   167.01651
   55    54 S   HC   _H34    46     1.09355   110.24062    69.36620
   56    54 S   HC   _H35    47     1.09590   109.33923  -174.11690
   57    33 S   CT   _C11    84     1.56165   109.79502  -138.02710
   58    57 S   HC   _H39    85     1.09686   109.66518   -48.57197
   59    54 S   CT   _C12    48     1.53772   112.10216   -56.31173
   60    59 S   HC   _H40    49     1.09795   107.56880  -179.72876
   61    57 S   CT   _C20    86     1.54274   110.14524    68.45516
   62    61 S   HC   _H44    87     1.09525   111.03730    69.34050
   63    61 S   HC   _H45    88     1.09353   112.43721   -51.46010
   64    61 S   HC   _H46    89     1.09429   111.14844  -169.85099
   65    59 S   CT   _C17    50     1.54185   112.95394    58.16078
   66    59 S   OS   _O25    64     1.44546   105.84795   -66.92271
   67    43 S   CT   _C10    51     1.58584   110.92944  -176.75762
   68    67 S   HC   _H38    52     1.09848   103.02608   -42.20811
   69    65 S   CT   _C22    80     1.56077   106.12855    70.69589
   70    69 S   HC   _H50    81     1.09564   111.57103    73.05737
   71    69 S   HC   _H51    82     1.09013   113.26880   -44.53379
   72    69 S   HC   _H52    83     1.09054   113.58065  -165.72666
   73    67 S   CT   _C13    53     1.56104   116.07569    71.88444
   74    73 S   HC   _H41    54     1.09297   111.45211    70.52216
   75    73 S   CT   _C14    55     1.54494   111.26922  -166.90128
   76    75 S   HC   _H42    56     1.09839   108.51426    66.41470
   77    73 S   OH   _O26    78     1.42763   111.40600   -46.05806
   78    77 S   HO   _H62    79     0.97372   107.99226   -53.44843
   79    75 S   CT   _C19    57     1.55309   112.99073   -54.91024
   80    75 S   OS   _O30    73     1.44004   108.46327  -175.27010
   81    65 S   CT   _C18    58     1.57886   108.10673  -171.17750
   82    79 S   CT   _C23    67     1.54097   109.71558   177.18714
   83    82 S   HC   _H53    68     1.09485   111.55680   179.45535
   84    82 S   HC   _H54    69     1.09638   110.97135    62.21230
   85    82 S   HC   _H55    70     1.09408   112.09452   -58.46879
   86    79 S   OH   _O28    71     1.43707   107.91599   -69.06952
   87    86 S   HO   _H64    72     0.97334   107.37941   173.80869
   88    80 S   CT   _C25    74     1.42115   113.34367  -107.35872
   89    88 S   HC   _H59    75     1.09323   108.26615   178.90300
   90    88 S   HC   _H60    76     1.09333   111.03457    59.82266
   91    88 S   HC   _H61    77     1.09425   110.30958   -62.52967
   92    81 S   CT   _C6_    59     1.53843   111.08341    51.53172
   93    92 S   HC   _H32    60     1.09766   109.52594  -163.14432
   94    92 S   HC   _H33    61     1.09423   111.97331    77.96288
   95    81 S   OH   _O27    65     1.44210   108.01963   -64.44549
   96    95 S   HO   _H63    66     0.97175   109.20571   170.64052
   97    92 S   CO4  _C5_    62     1.50261   115.73211   -43.94634
   98    97 S   O    _O24    63     1.22872   121.24345  -154.17628
  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
  17   8   2   1   1  15   6  16   5   6  22   3   2   1   1  21
   9   9   3   2   1  13   6   5   7   4  16   6   3   2   1   1
  21   8  16   6   8   3   2   1  11   6  18   7   3   1  15   7
  13   7   3   2   1   3   1   3   2   1   1   6   4   3   2   1
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    57    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    48    57    58    61    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    43    48    49    54    57    58    61    62    63    64    42    44  
   38    39    40    48    57    58    61    42  
   36    37  
   37  
    0  
   39    40    41    43    48    67    57    58    61    50    42    44    45    46    47  
   40    41    43    57    42    44  
   41    43    48    49    54    65    67    68    73    57    50    51    52    53    42    44  
   43    48    67    50    42  
   44    45    46    47    43    57  
   48    49    54    55    56    59    65    67    68    73    74    75    81    77    69    57    58    61    50    51    52    53  
   45    46    47  
   46    47  
   47  
    0  
   49    54    55    56    59    60    65    67    68    73    66    57    58    61    62    63    64    50    51    52    53  
   54    55    56    59    67    57    58    61    50  
   51    52    53    54    57    65    67    68    73  
   52    53    67  
   53    67  
   67  
   55    56    59    60    65    67    81    97    66    69    57    58    61  
   56    59    60    65    66    57  
   59    60    65    66    57  
   58    61    62    63    64    59    67  
   61    62    63    64  
   60    65    67    68    73    79    81    92    97    98    66    95    69    70    71    72  
   65    67    81    97    66    69  
   62    63    64  
   63    64  
   64  
    0  
   67    68    73    74    75    79    81    92    93    94    97    66    95    96    82    86    77    69    70    71    72  
   69    67    81    92    93    94    97    98  
   68    73    74    75    76    79    81    92    95    80    77    78    69    70    71    72  
   73    74    75    81    77    69  
   70    71    72    73    79    81    92    95  
   71    72    81  
   72    81  
   81  
   74    75    76    79    81    82    86    80    88    77    78  
   75    76    79    80    77    78  
   76    79    81    92    95    82    83    84    85    86    87    80    88    89    90    91    77    78  
   79    81    82    86    80    88    77  
   78    79    80  
    0  
   81    92    93    94    97    95    96    82    83    84    85    86    87    80    88  
   88    89    90    91    81    82    86  
   92    93    94    97    98    95    96    82    83    84    85    86    87  
   83    84    85    86    87    92    95  
   84    85    86  
   85    86  
   86  
   87    92    95  
    0  
   89    90    91  
   90    91  
   91  
    0  
   93    94    97    98    95    96  
   94    97    98    95  
   97    98    95  
   96    97  
    0  
   98  
    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   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   40   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   42   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   81   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   87   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   88   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   91   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   92   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   93   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   94   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   95   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   96   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   97   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   98   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
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    57   268.000  1.529
   38    39   340.000  1.090
   38    40   317.000  1.522
   38    42   320.000  1.410
   40    41   570.000  1.229
   40    43   317.000  1.522
   43    48   268.000  1.529
   43    67   268.000  1.529
   43    50   268.000  1.529
   48    49   340.000  1.090
   48    54   268.000  1.529
   48    57   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    59   268.000  1.529
   59    60   340.000  1.090
   59    65   268.000  1.529
   59    66   320.000  1.410
   65    67   268.000  1.529
   65    81   268.000  1.529
   65    69   268.000  1.529
   67    68   340.000  1.090
   67    73   268.000  1.529
   73    74   340.000  1.090
   73    75   268.000  1.529
   73    77   320.000  1.410
   75    76   340.000  1.090
   75    79   268.000  1.529
   75    80   320.000  1.410
   79    81   268.000  1.529
   79    82   268.000  1.529
   79    86   320.000  1.410
   81    92   268.000  1.529
   81    95   320.000  1.410
   92    93   340.000  1.090
   92    94   340.000  1.090
   92    97   317.000  1.522
   97    98   570.000  1.229
   97    66   214.000  1.327
   95    96   553.000  0.945
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   86    87   553.000  0.945
   80    88   320.000  1.410
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   77    78   553.000  0.945
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   57    58   340.000  1.090
   57    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   340.000  1.090
   42    44   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   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    57    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    63.00000  111.10000
   33    38    42    50.00000  109.50000
   33    57    48    58.35000  112.70000
   33    57    58    37.50000  110.70000
   33    57    61    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    40    41    80.00000  120.40000
   38    40    43    70.00000  116.00000
   38    42    44    60.00000  109.50000
   40    38    39    35.00000  109.50000
   40    43    48    63.00000  111.10000
   40    43    67    63.00000  111.10000
   40    43    50    63.00000  111.10000
   43    40    41    80.00000  120.40000
   43    48    49    37.50000  110.70000
   43    48    54    58.35000  112.70000
   43    48    57    58.35000  112.70000
   43    67    65    58.35000  112.70000
   43    67    68    37.50000  110.70000
   43    67    73    58.35000  112.70000
   43    50    51    37.50000  110.70000
   43    50    52    37.50000  110.70000
   43    50    53    37.50000  110.70000
   48    54    55    37.50000  110.70000
   48    54    56    37.50000  110.70000
   48    54    59    58.35000  112.70000
   48    57    58    37.50000  110.70000
   48    57    61    58.35000  112.70000
   54    48    49    37.50000  110.70000
   54    59    60    37.50000  110.70000
   54    59    65    58.35000  112.70000
   54    59    66    50.00000  109.50000
   56    54    55    33.00000  107.80000
   59    54    55    37.50000  110.70000
   59    54    56    37.50000  110.70000
   59    65    67    58.35000  112.70000
   59    65    81    58.35000  112.70000
   59    65    69    58.35000  112.70000
   59    66    97    83.00000  116.90000
   65    59    60    37.50000  110.70000
   65    67    68    37.50000  110.70000
   65    67    73    58.35000  112.70000
   65    81    79    58.35000  112.70000
   65    81    92    58.35000  112.70000
   65    81    95    50.00000  109.50000
   65    69    70    37.50000  110.70000
   65    69    71    37.50000  110.70000
   65    69    72    37.50000  110.70000
   67    43    48    58.35000  112.70000
   67    73    74    37.50000  110.70000
   67    73    75    58.35000  112.70000
   67    73    77    50.00000  109.50000
   73    67    68    37.50000  110.70000
   73    75    76    37.50000  110.70000
   73    75    79    58.35000  112.70000
   73    75    80    50.00000  109.50000
   73    77    78    55.00000  108.50000
   75    73    74    37.50000  110.70000
   75    79    81    58.35000  112.70000
   75    79    82    58.35000  112.70000
   75    79    86    50.00000  109.50000
   75    80    88    60.00000  109.50000
   79    75    76    37.50000  110.70000
   79    81    92    58.35000  112.70000
   79    81    95    50.00000  109.50000
   79    82    83    37.50000  110.70000
   79    82    84    37.50000  110.70000
   79    82    85    37.50000  110.70000
   79    86    87    55.00000  108.50000
   81    65    67    58.35000  112.70000
   81    92    93    37.50000  110.70000
   81    92    94    37.50000  110.70000
   81    92    97    63.00000  111.10000
   81    95    96    55.00000  108.50000
   92    97    98    80.00000  120.40000
   92    97    66    81.00000  111.40000
   94    92    93    33.00000  107.80000
   97    92    93    35.00000  109.50000
   97    92    94    35.00000  109.50000
   66    59    60    35.00000  109.50000
   66    59    65    50.00000  109.50000
   66    97    98    83.00000  123.40000
   95    81    92    50.00000  109.50000
   82    79    81    58.35000  112.70000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   86    79    81    50.00000  109.50000
   86    79    82    50.00000  109.50000
   80    75    76    35.00000  109.50000
   80    75    79    50.00000  109.50000
   80    88    89    35.00000  109.50000
   80    88    90    35.00000  109.50000
   80    88    91    35.00000  109.50000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   77    73    74    35.00000  109.50000
   77    73    75    50.00000  109.50000
   69    65    67    58.35000  112.70000
   69    65    81    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   57    33    34    37.50000  110.70000
   57    33    38    58.35000  112.70000
   57    48    49    37.50000  110.70000
   57    48    54    58.35000  112.70000
   57    61    62    37.50000  110.70000
   57    61    63    37.50000  110.70000
   57    61    64    37.50000  110.70000
   61    57    58    37.50000  110.70000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   50    43    48    58.35000  112.70000
   50    43    67    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    50    51    33.00000  107.80000
   53    50    52    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    90.00000  108.74100
   42    44    45    35.00000  109.50000
   42    44    46    35.00000  109.50000
   42    44    47    35.00000  109.50000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    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
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    57    48   0.44750  1.0 1.0
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   57    33   -38    40  -0.18200 -1.0 2.0
   57    33   -38    40   0.29450  1.0 3.0
   57    33    38    42   0.62750  1.0 1.0
   57    33    38    42  -0.30950 -1.0 2.0
   57    33    38    42   0.27300  1.0 3.0
   57    48    54    55   0.15000  1.0 3.0
   57    48    54    56   0.15000  1.0 3.0
   57    48    54    59   0.56750  1.0 1.0
   57    48    54    59  -0.07550 -1.0 2.0
   57    48    54    59   0.20000  1.0 3.0
   58    57    61    62   0.15000  1.0 3.0
   58    57    61    63   0.15000  1.0 3.0
   58    57    61    64   0.15000  1.0 3.0
   50    43    48    49   0.15000  1.0 3.0
   50    43    48    54   0.56750  1.0 1.0
   50    43    48    54  -0.07550 -1.0 2.0
   50    43    48    54   0.20000  1.0 3.0
   50    43    48    57   0.56750  1.0 1.0
   50    43    48    57  -0.07550 -1.0 2.0
   50    43    48    57   0.20000  1.0 3.0
   50    43    67    65   0.56750  1.0 1.0
   50    43    67    65  -0.07550 -1.0 2.0
   50    43    67    65   0.20000  1.0 3.0
   50    43    67    68   0.15000  1.0 3.0
   50    43    67    73   0.56750  1.0 1.0
   50    43    67    73  -0.07550 -1.0 2.0
   50    43    67    73   0.20000  1.0 3.0
   42    38    40    41   0.30150 -1.0 2.0
   42    38    40    43   0.55300  1.0 1.0
   42    38    40    43   1.25850 -1.0 2.0
   42    38    40    43  -0.23600  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    43    40    41  10.50000 -1.0 2.0
   92    66    97    98  10.50000 -1.0 2.0
END
