* LIGAND DATABASE FILE (OPLS2005)
*
001      93    93    174    259     517
    1     0 S   NP   _N1_     1    28.95603    95.80869   -19.98369
    2     1 S   H    _HN1     2     1.02785    86.81978  -105.05190
    3     1 S   H    _H1_     3     1.02949    78.32740     4.41987
    4     1 S   H    _H2_     4     1.02830    43.86914   134.86240
    5     1 S   CT   _CA1     5     1.50124   153.71020   117.15111
    6     5 S   HC   _HA1     6     1.09564   105.24026    72.48506
    7     5 S   CO3  _C1_     7     1.53836   112.19169   -47.87303
    8     7 S   O2Z  _O11     8     1.26395   115.00561   -46.24578
    9     7 S   O2Z  _O12     9     1.26208   114.96017   132.73175
   10     5 S   CT   _CB1    10     1.53061   107.39700  -169.44973
   11    10 S   HC   HB11    11     1.09829   109.63821   -47.92989
   12    10 S   HC   HB12    12     1.09818   110.34304    68.73479
   13    10 S   CT   _CG1    13     1.52995   112.55120  -168.82608
   14    13 S   HC   HG11    14     1.09436   110.47478   -60.75888
   15    13 S   HC   HG12    15     1.09644   109.92536    58.40091
   16    13 S   C    _CD1    16     1.51785   112.09803   178.93578
   17    16 S   O    _OE1    17     1.22767   123.15462     2.46664
   18    16 S   N    _N2_    18     1.38679   111.92767  -177.61493
   19    18 S   H    _HN2    19     1.01612   119.03875     1.67421
   20    18 S   CT1  _CA2    20     1.46266   123.11744   179.11375
   21    20 S   HC   _HA2    21     1.09738   109.17638     3.35456
   22    20 S   C    _C2_    22     1.53480   109.09648  -112.28129
   23    22 S   O    _O2_    23     1.23076   122.15440  -149.36373
   24    20 S   CT   _CB2    32     1.53366   111.78148   124.93700
   25    24 S   HC   HB21    33     1.09526   110.10836    62.94166
   26    24 S   HC   HB22    34     1.09543   110.31600  -179.26778
   27    22 S   N    _N3_    24     1.38295   113.81534    38.11682
   28    27 S   H    _HN3    25     1.01586   119.59295    -3.55804
   29    24 S   S    _SG2    35     1.82948   111.40662   -60.25791
   30    27 S   CT   _CA3    26     1.45285   123.16026   177.02454
   31    30 S   HC   HA31    27     1.09551   107.54356   -63.64666
   32    30 S   HC   HA32    28     1.09558   107.93393    52.76630
   33    29 S   CT   _C15    36     1.85067    99.89877   127.67553
   34    33 S   HC   _H3_    37     1.09468   106.15980   -33.12386
   35    30 S   CO3  _C3_    29     1.52946   114.12980   174.75820
   36    35 S   O2Z  _O31    30     1.26367   116.08372    -0.04423
   37    35 S   O2Z  _O32    31     1.26433   114.40538  -180.00000
   38    33 S   CT   _C7_    38     1.54082   107.53966  -149.59399
   39    38 S   HC   _H27    39     1.09471   111.13985   -45.45534
   40    38 S   HC   _H28    40     1.09240   111.15176  -163.68891
   41    33 S   CT   _C13    63     1.55883   109.74783    83.94744
   42    41 S   HC   _H35    64     1.09943   107.99929   -34.84257
   43    38 S   CO4  _C4_    41     1.52597   112.16797    78.40219
   44    43 S   O    _O21    42     1.23362   120.96693    36.96375
   45    41 S   CT   _C21    65     1.53552   112.65613    82.87121
   46    45 S   HC   _H51    66     1.09437   112.05493    70.82727
   47    45 S   HC   _H52    67     1.09475   111.23220   -50.32390
   48    45 S   HC   _H53    68     1.09462   110.88999  -168.90115
   49    43 S   CT   _C10    43     1.52692   119.06837  -144.59986
   50    49 S   HC   _H32    44     1.09700   106.71169  -177.33714
   51    49 S   CT   _C8_    45     1.53919   113.36717   -57.33706
   52    51 S   HC   _H29    46     1.09486   111.35836    33.14732
   53    51 S   HC   _H30    47     1.09875   108.11915   148.66823
   54    49 S   CT   _C18    90     1.52947   109.28674    67.67154
   55    54 S   HC   _H42    91     1.09460   111.94297   -70.86758
   56    54 S   HC   _H43    92     1.09534   110.49056   169.11351
   57    54 S   HC   _H44    93     1.09475   111.06196    49.65011
   58    51 S   CT   _C12    48     1.54939   114.28093   -92.32089
   59    58 S   HC   _H34    49     1.10005   107.24055   -54.03653
   60    58 S   CT   _C14    50     1.55117   115.11175    64.11215
   61    60 S   HC   _H36    51     1.09479   106.96488   -56.60759
   62    58 S   CT   _C20    86     1.53372   109.00412  -167.41177
   63    62 S   HC   _H48    87     1.09424   111.50009   -56.47472
   64    62 S   HC   _H49    88     1.09430   111.61007  -178.54411
   65    62 S   HC   _H50    89     1.09599   110.32561    62.44411
   66    60 S   CT   _C11    52     1.54910   116.58198    66.36738
   67    66 S   HC   _H33    53     1.09424   108.64096   -35.53102
   68    60 S   OH   _O25    84     1.43204   107.94548  -169.45883
   69    68 S   HO   _H59    85     0.97366   107.01738   168.99184
   70    66 S   CO4  _C5_    54     1.53439   110.05437  -151.87516
   71    70 S   O    _O22    55     1.23210   121.63755   -32.30094
   72    66 S   CT   _C19    80     1.53046   115.24215    87.76383
   73    72 S   HC   _H45    81     1.09576   111.63747    64.47569
   74    72 S   HC   _H46    82     1.09082   112.48189   -57.26147
   75    72 S   HC   _H47    83     1.09601   110.54087  -176.92986
   76    70 S   CT   _C9_    56     1.52494   116.92268   149.43562
   77    76 S   HC   _H31    57     1.09666   107.91515     7.10073
   78    76 S   CO4  _C6_    58     1.51275   112.15624  -112.71812
   79    78 S   O    _O23    59     1.22315   124.43429   -47.56629
   80    76 S   CT   _C17    76     1.52396   110.31885   125.07859
   81    80 S   HC   _H39    77     1.09599   111.51376    64.06421
   82    80 S   HC   _H40    78     1.09515   110.95575   -55.93104
   83    80 S   HC   _H41    79     1.09534   110.81749  -176.25158
   84    78 S   OS   _O24    60     1.36480   109.46086   132.90050
   85    84 S   CT   _C16    61     1.44311   118.25084   179.05312
   86    85 S   HC   _H38    62     1.09770   110.89597    -8.56798
   87    85 S   CT   _C23    69     1.53792   107.50690  -125.80393
   88    87 S   HC   _H57    70     1.09587   109.96743  -172.22557
   89    87 S   HC   _H58    71     1.09590   110.40618   -53.19997
   90    87 S   CT   _C22    72     1.52440   112.04569    66.65274
   91    90 S   HC   _H54    73     1.09432   111.38698   -62.26962
   92    90 S   HC   _H55    74     1.09464   110.10142   178.14038
   93    90 S   HC   _H56    75     1.09460   110.98031    58.57164
  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  12   5   4  14   8  11   4   7   3   2   1
  12   8  16   6   5   4   2   1   1  13   8  16   7   5   2   1
   1  13   8   3   1  14   5   4   2   1   1   9   7   9   3   4
   2   1   1   6   8   4   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    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    85    41    42    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    49    84    85    86    41    42    45    46    47    48    87  
   38    39    40    43    85    41    42    45  
   36    37  
   37  
    0  
   39    40    43    44    49    50    51    85    41    42    45    54  
   40    43    44    49    41  
   43    44    49    41  
   42    45    46    47    48    87    88    89    90    43    78    84    85    86  
   45    46    47    48    87    84    85    86  
   44    49    50    51    52    53    58    54    55    56    57  
   49    50    51    54  
   46    47    48    87    84    85    86  
   47    48    85  
   48    85  
   85  
   50    51    52    53    58    59    60    62    54    55    56    57  
   51    52    53    58    54    55    56    57  
   52    53    58    59    60    61    66    68    62    63    64    65    54    55    56    57  
   53    58    59    60    62    54  
   58    59    60    62    54  
   55    56    57    58  
   56    57  
   57  
    0  
   59    60    61    66    67    70    72    68    69    62    63    64    65  
   60    61    66    68    62    63    64    65  
   61    66    67    70    71    76    72    73    74    75    68    69    62    63    64    65  
   66    67    70    72    68    69    62  
   63    64    65    66    68  
   64    65  
   65  
    0  
   67    70    71    76    77    78    80    72    73    74    75    68    69  
   70    71    76    72    73    74    75    68  
   69    70    72  
    0  
   71    76    77    78    79    84    80    81    82    83    72    73    74    75  
   76    77    78    80    72  
   73    74    75    76  
   74    75  
   75  
    0  
   77    78    79    84    85    80    81    82    83  
   78    79    84    80    81    82    83  
   79    84    85    86    87    80    81    82    83  
   84    85    80  
   81    82    83    84  
   82    83  
   83  
    0  
   85    86    87    88    89    90  
   86    87    88    89    90    91    92    93  
   87    88    89    90  
   88    89    90    91    92    93  
   89    90    91    92    93  
   90    91    92    93  
   91    92    93  
   92    93  
   93  
    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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   69   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   70   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   85   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   87   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   91   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   92   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   93   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    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   317.000  1.522
   43    44   570.000  1.229
   43    49   317.000  1.522
   49    50   340.000  1.090
   49    51   268.000  1.529
   49    54   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    58   268.000  1.529
   58    59   340.000  1.090
   58    60   268.000  1.529
   58    62   268.000  1.529
   60    61   340.000  1.090
   60    66   268.000  1.529
   60    68   320.000  1.410
   66    67   340.000  1.090
   66    70   317.000  1.522
   66    72   268.000  1.529
   70    71   570.000  1.229
   70    76   317.000  1.522
   76    77   340.000  1.090
   76    78   317.000  1.522
   76    80   268.000  1.529
   78    79   570.000  1.229
   78    84   214.000  1.327
   84    85   320.000  1.410
   85    86   340.000  1.090
   85    41   268.000  1.529
   85    87   268.000  1.529
   41    42   340.000  1.090
   41    45   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   268.000  1.529
   90    91   340.000  1.090
   90    92   340.000  1.090
   90    93   340.000  1.090
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   68    69   553.000  0.945
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   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    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    63.00000  111.10000
   33    41    85    58.35000  112.70000
   33    41    42    37.50000  110.70000
   33    41    45    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    43    44    80.00000  120.40000
   38    43    49    70.00000  116.00000
   40    38    39    33.00000  107.80000
   43    38    39    35.00000  109.50000
   43    38    40    35.00000  109.50000
   43    49    50    35.00000  109.50000
   43    49    51    63.00000  111.10000
   43    49    54    63.00000  111.10000
   49    43    44    80.00000  120.40000
   49    51    52    37.50000  110.70000
   49    51    53    37.50000  110.70000
   49    51    58    58.35000  112.70000
   49    54    55    37.50000  110.70000
   49    54    56    37.50000  110.70000
   49    54    57    37.50000  110.70000
   51    49    50    37.50000  110.70000
   51    58    59    37.50000  110.70000
   51    58    60    58.35000  112.70000
   51    58    62    58.35000  112.70000
   53    51    52    33.00000  107.80000
   58    51    52    37.50000  110.70000
   58    51    53    37.50000  110.70000
   58    60    61    37.50000  110.70000
   58    60    66    58.35000  112.70000
   58    60    68    50.00000  109.50000
   58    62    63    37.50000  110.70000
   58    62    64    37.50000  110.70000
   58    62    65    37.50000  110.70000
   60    58    59    37.50000  110.70000
   60    66    67    37.50000  110.70000
   60    66    70    63.00000  111.10000
   60    66    72    58.35000  112.70000
   60    68    69    55.00000  108.50000
   66    60    61    37.50000  110.70000
   66    70    71    80.00000  120.40000
   66    70    76    70.00000  116.00000
   66    72    73    37.50000  110.70000
   66    72    74    37.50000  110.70000
   66    72    75    37.50000  110.70000
   70    66    67    35.00000  109.50000
   70    76    77    35.00000  109.50000
   70    76    78    75.00000  107.99600
   70    76    80    63.00000  111.10000
   76    70    71    80.00000  120.40000
   76    78    79    80.00000  120.40000
   76    78    84    81.00000  111.40000
   76    80    81    37.50000  110.70000
   76    80    82    37.50000  110.70000
   76    80    83    37.50000  110.70000
   78    76    77    35.00000  109.50000
   78    84    85    83.00000  116.90000
   84    78    79    83.00000  123.40000
   84    85    86    35.00000  109.50000
   84    85    41    50.00000  109.50000
   84    85    87    50.00000  109.50000
   85    41    42    37.50000  110.70000
   85    41    45    58.35000  112.70000
   85    87    88    37.50000  110.70000
   85    87    89    37.50000  110.70000
   85    87    90    58.35000  112.70000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    85    86    37.50000  110.70000
   41    45    46    37.50000  110.70000
   41    45    47    37.50000  110.70000
   41    45    48    37.50000  110.70000
   45    41    42    37.50000  110.70000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   87    85    86    37.50000  110.70000
   87    85    41    58.35000  112.70000
   87    90    91    37.50000  110.70000
   87    90    92    37.50000  110.70000
   87    90    93    37.50000  110.70000
   89    87    88    33.00000  107.80000
   90    87    88    37.50000  110.70000
   90    87    89    37.50000  110.70000
   92    90    91    33.00000  107.80000
   93    90    91    33.00000  107.80000
   93    90    92    33.00000  107.80000
   80    76    77    37.50000  110.70000
   80    76    78    63.00000  111.10000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   72    66    67    37.50000  110.70000
   72    66    70    63.00000  111.10000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   68    60    61    35.00000  109.50000
   68    60    66    50.00000  109.50000
   62    58    59    37.50000  110.70000
   62    58    60    58.35000  112.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   54    49    50    37.50000  110.70000
   54    49    51    58.35000  112.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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   0.15000  1.0 3.0
   29    33    38    43   0.56750  1.0 1.0
   29    33    38    43  -0.07550 -1.0 2.0
   29    33    38    43   0.20000  1.0 3.0
   29    33    41    85   0.44750  1.0 1.0
   29    33    41    85  -0.17800 -1.0 2.0
   29    33    41    85   0.20200  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    45   0.44750  1.0 1.0
   29    33    41    45  -0.17800 -1.0 2.0
   29    33    41    45   0.20200  1.0 3.0
   33    38    43    44   0.30150 -1.0 2.0
   33    38    43    49   0.60050  1.0 1.0
   33    38    43    49   0.05600 -1.0 2.0
   33    38    43    49   0.26150  1.0 3.0
   33    41    45    46   0.15000  1.0 3.0
   33    41    45    47   0.15000  1.0 3.0
   33    41    45    48   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    43  -0.11250  1.0 3.0
   34    33    41    85   0.15000  1.0 3.0
   34    33    41    42   0.15000  1.0 3.0
   34    33    41    45   0.15000  1.0 3.0
   38    33    41    85   0.56750  1.0 1.0
   38    33    41    85  -0.07550 -1.0 2.0
   38    33    41    85   0.20000  1.0 3.0
   38    33    41    42   0.15000  1.0 3.0
   38    33    41    45   0.56750  1.0 1.0
   38    33    41    45  -0.07550 -1.0 2.0
   38    33    41    45   0.20000  1.0 3.0
   38    43    49    50   0.00000  1.0 1.0
   38    43    49    51   0.60050  1.0 1.0
   38    43    49    51   0.05600 -1.0 2.0
   38    43    49    51   0.26150  1.0 3.0
   38    43    49    54   0.60050  1.0 1.0
   38    43    49    54   0.05600 -1.0 2.0
   38    43    49    54   0.26150  1.0 3.0
   39    38    43    44   0.00000  1.0 1.0
   39    38    43    49   0.00000  1.0 1.0
   40    38    43    44   0.00000  1.0 1.0
   40    38    43    49   0.00000  1.0 1.0
   43    49    51    52  -0.11250  1.0 3.0
   43    49    51    53  -0.11250  1.0 3.0
   43    49    51    58  -0.95700  1.0 1.0
   43    49    51    58  -0.18200 -1.0 2.0
   43    49    51    58   0.29450  1.0 3.0
   43    49    54    55  -0.11250  1.0 3.0
   43    49    54    56  -0.11250  1.0 3.0
   43    49    54    57  -0.11250  1.0 3.0
   44    43    49    50   0.00000  1.0 1.0
   44    43    49    51   0.30150 -1.0 2.0
   44    43    49    54   0.30150 -1.0 2.0
   49    51    58    59   0.15000  1.0 3.0
   49    51    58    60   0.56750  1.0 1.0
   49    51    58    60  -0.07550 -1.0 2.0
   49    51    58    60   0.20000  1.0 3.0
   49    51    58    62   0.56750  1.0 1.0
   49    51    58    62  -0.07550 -1.0 2.0
   49    51    58    62   0.20000  1.0 3.0
   50    49    51    52   0.15000  1.0 3.0
   50    49    51    53   0.15000  1.0 3.0
   50    49    51    58   0.15000  1.0 3.0
   50    49    54    55   0.15000  1.0 3.0
   50    49    54    56   0.15000  1.0 3.0
   50    49    54    57   0.15000  1.0 3.0
   51    49    54    55   0.15000  1.0 3.0
   51    49    54    56   0.15000  1.0 3.0
   51    49    54    57   0.15000  1.0 3.0
   51    58    60    61   0.15000  1.0 3.0
   51    58    60    66   0.56750  1.0 1.0
   51    58    60    66  -0.07550 -1.0 2.0
   51    58    60    66   0.20000  1.0 3.0
   51    58    60    68   0.86500  1.0 1.0
   51    58    60    68  -0.17500 -1.0 2.0
   51    58    60    68   0.20800  1.0 3.0
   51    58    62    63   0.15000  1.0 3.0
   51    58    62    64   0.15000  1.0 3.0
   51    58    62    65   0.15000  1.0 3.0
   52    51    58    59   0.15000  1.0 3.0
   52    51    58    60   0.15000  1.0 3.0
   52    51    58    62   0.15000  1.0 3.0
   53    51    58    59   0.15000  1.0 3.0
   53    51    58    60   0.15000  1.0 3.0
   53    51    58    62   0.15000  1.0 3.0
   58    60    66    67   0.15000  1.0 3.0
   58    60    66    70  -0.95700  1.0 1.0
   58    60    66    70  -0.18200 -1.0 2.0
   58    60    66    70   0.29450  1.0 3.0
   58    60    66    72   0.56750  1.0 1.0
   58    60    66    72  -0.07550 -1.0 2.0
   58    60    66    72   0.20000  1.0 3.0
   58    60    68    69  -0.11600  1.0 1.0
   58    60    68    69  -0.09450 -1.0 2.0
   58    60    68    69   0.21250  1.0 3.0
   59    58    60    61   0.15000  1.0 3.0
   59    58    60    66   0.15000  1.0 3.0
   59    58    60    68   0.23400  1.0 3.0
   59    58    62    63   0.15000  1.0 3.0
   59    58    62    64   0.15000  1.0 3.0
   59    58    62    65   0.15000  1.0 3.0
   60    58    62    63   0.15000  1.0 3.0
   60    58    62    64   0.15000  1.0 3.0
   60    58    62    65   0.15000  1.0 3.0
   60    66    70    71   0.30150 -1.0 2.0
   60    66    70    76   0.60050  1.0 1.0
   60    66    70    76   0.05600 -1.0 2.0
   60    66    70    76   0.26150  1.0 3.0
   60    66    72    73   0.15000  1.0 3.0
   60    66    72    74   0.15000  1.0 3.0
   60    66    72    75   0.15000  1.0 3.0
   61    60    66    67   0.15000  1.0 3.0
   61    60    66    70  -0.11250  1.0 3.0
   61    60    66    72   0.15000  1.0 3.0
   61    60    68    69   0.19450  1.0 3.0
   66    60    68    69  -0.11600  1.0 1.0
   66    60    68    69  -0.09450 -1.0 2.0
   66    60    68    69   0.21250  1.0 3.0
   66    70    76    77   0.00000  1.0 1.0
   66    70    76    78   0.65300  1.0 1.0
   66    70    76    78  -0.03850 -1.0 2.0
   66    70    76    78   0.33900  1.0 3.0
   66    70    76    80   0.60050  1.0 1.0
   66    70    76    80   0.05600 -1.0 2.0
   66    70    76    80   0.26150  1.0 3.0
   67    66    70    71   0.00000  1.0 1.0
   67    66    70    76   0.00000  1.0 1.0
   67    66    72    73   0.15000  1.0 3.0
   67    66    72    74   0.15000  1.0 3.0
   67    66    72    75   0.15000  1.0 3.0
   70    66    72    73  -0.11250  1.0 3.0
   70    66    72    74  -0.11250  1.0 3.0
   70    66    72    75  -0.11250  1.0 3.0
   70    76    78    79   0.30150 -1.0 2.0
   70    76    78    84   0.40000  1.0 3.0
   70    76    80    81  -0.11250  1.0 3.0
   70    76    80    82  -0.11250  1.0 3.0
   70    76    80    83  -0.11250  1.0 3.0
   71    70    76    77   0.00000  1.0 1.0
   71    70    76    78   0.30150 -1.0 2.0
   71    70    76    80   0.30150 -1.0 2.0
   76    78    84    85   1.63150  1.0 1.0
   76    78    84    85   2.92000 -1.0 2.0
   77    76    78    79   0.00000  1.0 1.0
   77    76    78    84   0.00000  1.0 1.0
   77    76    80    81   0.15000  1.0 3.0
   77    76    80    82   0.15000  1.0 3.0
   77    76    80    83   0.15000  1.0 3.0
   78    76    80    81  -0.11250  1.0 3.0
   78    76    80    82  -0.11250  1.0 3.0
   78    76    80    83  -0.11250  1.0 3.0
   78    84    85    86   0.08050  1.0 3.0
   78    84    85    41  -0.25900  1.0 1.0
   78    84    85    41  -0.47000 -1.0 2.0
   78    84    85    41   0.11750  1.0 3.0
   78    84    85    87  -0.25900  1.0 1.0
   78    84    85    87  -0.47000 -1.0 2.0
   78    84    85    87   0.11750  1.0 3.0
   79    78    84    85   3.00000 -1.0 2.0
   84    85    41    33   0.62750  1.0 1.0
   84    85    41    33  -0.30950 -1.0 2.0
   84    85    41    33   0.27300  1.0 3.0
   84    85    41    42   0.23400  1.0 3.0
   84    85    41    45   0.62750  1.0 1.0
   84    85    41    45  -0.30950 -1.0 2.0
   84    85    41    45   0.27300  1.0 3.0
   84    85    87    88   0.23400  1.0 3.0
   84    85    87    89   0.23400  1.0 3.0
   84    85    87    90   0.62750  1.0 1.0
   84    85    87    90  -0.30950 -1.0 2.0
   84    85    87    90   0.27300  1.0 3.0
   85    41    45    46   0.15000  1.0 3.0
   85    41    45    47   0.15000  1.0 3.0
   85    41    45    48   0.15000  1.0 3.0
   85    87    90    91   0.15000  1.0 3.0
   85    87    90    92   0.15000  1.0 3.0
   85    87    90    93   0.15000  1.0 3.0
   86    85    41    33   0.15000  1.0 3.0
   86    85    41    42   0.15000  1.0 3.0
   86    85    41    45   0.15000  1.0 3.0
   86    85    87    88   0.15000  1.0 3.0
   86    85    87    89   0.15000  1.0 3.0
   86    85    87    90   0.15000  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    43  -0.95700  1.0 1.0
   41    33    38    43  -0.18200 -1.0 2.0
   41    33    38    43   0.29450  1.0 3.0
   41    85    87    88   0.15000  1.0 3.0
   41    85    87    89   0.15000  1.0 3.0
   41    85    87    90   0.56750  1.0 1.0
   41    85    87    90  -0.07550 -1.0 2.0
   41    85    87    90   0.20000  1.0 3.0
   42    41    45    46   0.15000  1.0 3.0
   42    41    45    47   0.15000  1.0 3.0
   42    41    45    48   0.15000  1.0 3.0
   87    85    41    33   0.56750  1.0 1.0
   87    85    41    33  -0.07550 -1.0 2.0
   87    85    41    33   0.20000  1.0 3.0
   87    85    41    42   0.15000  1.0 3.0
   87    85    41    45   0.56750  1.0 1.0
   87    85    41    45  -0.07550 -1.0 2.0
   87    85    41    45   0.20000  1.0 3.0
   88    87    90    91   0.15000  1.0 3.0
   88    87    90    92   0.15000  1.0 3.0
   88    87    90    93   0.15000  1.0 3.0
   89    87    90    91   0.15000  1.0 3.0
   89    87    90    92   0.15000  1.0 3.0
   89    87    90    93   0.15000  1.0 3.0
   80    76    78    79   0.30150 -1.0 2.0
   80    76    78    84   0.36750  1.0 3.0
   72    66    70    71   0.30150 -1.0 2.0
   72    66    70    76   0.60050  1.0 1.0
   72    66    70    76   0.05600 -1.0 2.0
   72    66    70    76   0.26150  1.0 3.0
   68    60    66    67   0.23400  1.0 3.0
   68    60    66    70  -0.09450  1.0 1.0
   68    60    66    70  -1.12950 -1.0 2.0
   68    60    66    70   0.54000  1.0 3.0
   68    60    66    72   0.86500  1.0 1.0
   68    60    66    72  -0.17500 -1.0 2.0
   68    60    66    72   0.20800  1.0 3.0
   62    58    60    61   0.15000  1.0 3.0
   62    58    60    66   0.56750  1.0 1.0
   62    58    60    66  -0.07550 -1.0 2.0
   62    58    60    66   0.20000  1.0 3.0
   62    58    60    68   0.86500  1.0 1.0
   62    58    60    68  -0.17500 -1.0 2.0
   62    58    60    68   0.20800  1.0 3.0
   54    49    51    52   0.15000  1.0 3.0
   54    49    51    53   0.15000  1.0 3.0
   54    49    51    58   0.56750  1.0 1.0
   54    49    51    58  -0.07550 -1.0 2.0
   54    49    51    58   0.20000  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   38    49    43    44  10.50000 -1.0 2.0
   66    76    70    71  10.50000 -1.0 2.0
   76    84    78    79  10.50000 -1.0 2.0
END
