* LIGAND DATABASE FILE (OPLS2005)
*
001      82    84    152    236     447
    1     0 S   NP   _N1_     1    29.78535    95.17866   -25.74862
    2     1 S   H    _HN1     2     1.02784   124.16920   -92.84834
    3     1 S   H    _H1_     3     1.02953    74.82574     9.29435
    4     1 S   H    _H2_     4     1.02822    32.67032  -161.15875
    5     1 S   CT   _CA1     5     1.50129   118.47144   114.55273
    6     5 S   HC   _HA1     6     1.09575   105.17929    94.25147
    7     5 S   CO3  _C1_     7     1.53780   112.49102   -25.90730
    8     7 S   O2Z  _O11     8     1.26367   115.00603   -41.31317
    9     7 S   O2Z  _O12     9     1.26244   114.94490   137.76263
   10     5 S   CT   _CB1    10     1.53064   107.38474  -147.81752
   11    10 S   HC   HB11    11     1.09833   109.28460   -50.01718
   12    10 S   HC   HB12    12     1.09816   110.45402    66.54860
   13    10 S   CT   _CG1    13     1.52992   112.68434  -171.05179
   14    13 S   HC   HG11    14     1.09582   110.58253   -66.40829
   15    13 S   HC   HG12    15     1.09666   109.85711    52.87108
   16    13 S   C    _CD1    16     1.51767   112.19870   173.20494
   17    16 S   O    _OE1    17     1.22741   123.28865     4.72456
   18    16 S   N    _N2_    18     1.38687   111.72546  -175.14627
   19    18 S   H    _HN2    19     1.01580   119.01714     1.54687
   20    18 S   CT1  _CA2    20     1.45966   123.18287   177.59076
   21    20 S   HC   _HA2    21     1.09368   109.01329     2.28550
   22    20 S   C    _C2_    22     1.53371   108.96964  -112.25648
   23    22 S   O    _O2_    23     1.23033   122.37321  -145.33864
   24    20 S   CT   _CB2    32     1.53143   111.89119   124.29919
   25    24 S   HC   HB21    33     1.09628   109.96368    58.63712
   26    24 S   HC   HB22    34     1.09570   110.85890   176.30838
   27    22 S   N    _N3_    24     1.38344   113.47147    42.58604
   28    27 S   H    _HN3    25     1.01598   119.63551    -4.03891
   29    24 S   S    _SG2    35     1.83021   114.37729   -61.79789
   30    27 S   CT   _CA3    26     1.45254   123.12982   176.09325
   31    30 S   HC   HA31    27     1.09560   107.58890   -61.16389
   32    30 S   HC   HA32    28     1.09551   107.87404    55.25555
   33    29 S   CT   _C22    36     1.83164    99.71154   -60.26381
   34    33 S   HC   _H3_    37     1.09217   106.26425   -43.65560
   35    33 S   HC   _H4_    38     1.09236   107.74870    74.82088
   36    30 S   CO3  _C3_    29     1.52930   114.09173   177.16793
   37    36 S   O2Z  _O31    30     1.26367   116.06172    -1.82895
   38    36 S   O2Z  _O32    31     1.26423   114.40663   178.20670
   39    33 S   CT   _C15    39     1.52206   112.29711  -163.13023
   40    39 S   HC   _H35    40     1.10004   108.52757    44.19894
   41    39 S   CO4  _C9_    41     1.50591   114.37239   -73.65636
   42    41 S   O    _O21    42     1.21995   127.14049    26.94421
   43    41 S   OS   _O24    43     1.36224   108.93641  -156.26190
   44    43 S   CT   _C17    44     1.43852   110.96775    10.35815
   45    44 S   HC   _H37    45     1.09200   104.29585   130.81708
   46    44 S   CT   _C13    46     1.54467   109.48505  -111.16454
   47    46 S   HC   _H32    47     1.09796   109.49953   -43.42862
   48    46 S   HC   _H33    48     1.09773   108.30635    70.52979
   49    39 S   CT   _C16    60     1.54873   117.90673   166.25985
   50    49 S   HC   _H36    61     1.09573   105.74103   -83.16320
   51    46 S   CT   _C18    49     1.54567   114.11672  -167.12359
   52    51 S   CO4  _C8_    50     1.51000   111.54838    79.47537
   53    52 S   O    _O20    51     1.22060   126.37098    77.96604
   54    51 S   CT   _C20    79     1.52069   112.78992  -154.72393
   55    54 S   HC   _H41    80     1.09552   110.78103    63.24677
   56    54 S   HC   _H42    81     1.09489   111.53385   -58.01634
   57    54 S   HC   _H43    82     1.09624   111.01582  -178.51049
   58    52 S   CM   _C4_    52     1.45750   110.06878   -98.85418
   59    58 S   HC   _H28    53     1.07392   126.83855   163.18998
   60    58 S   CM   _C7_    54     1.33297   101.14926    -6.67773
   61    60 S   CM   _C6_    55     1.44341   125.55012   165.76211
   62    51 S   OS   _O23    78     1.43890   110.16086   -31.96374
   63    61 S   CM   _C5_    56     1.35237   124.88623  -117.48559
   64    63 S   HC   _H29    57     1.09388   113.64893   174.90545
   65    61 S   CT   _C21    73     1.51416   115.04928    57.99612
   66    65 S   HC   _H44    74     1.09550   111.15355   -56.53196
   67    65 S   HC   _H45    75     1.09540   112.07921  -176.87902
   68    63 S   CT   _C14    58     1.53337   136.52427    -5.06864
   69    68 S   HC   _H34    59     1.09762   107.81754   111.35106
   70    65 S   OH   _O25    76     1.42302   109.50318    63.72502
   71    70 S   HO   _H48    77     0.97229   107.03709  -179.67615
   72    68 S   OS   _O26    62     1.45847   103.62819  -133.05960
   73    72 S   CO4  _C12    63     1.36389   118.10899   -88.42416
   74    73 S   O    _O22    64     1.22250   125.93128    -2.26952
   75    73 S   CM   _C11    65     1.48887   109.75060   177.19635
   76    75 S   CM   _C10    66     1.34153   117.27572   167.11821
   77    76 S   HC   _H30    67     1.08567   121.00502   179.82086
   78    76 S   HC   _H31    68     1.08549   122.45090    -0.96652
   79    75 S   CT   _C19    69     1.49690   120.21804   -13.76660
   80    79 S   HC   _H38    70     1.09496   110.55883   -54.05744
   81    79 S   HC   _H39    71     1.09409   110.78396    66.55341
   82    79 S   HC   _H40    72     1.09542   111.81413  -173.64658
  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   7   5   4   3
  11   5   4   2   1   1  13   7   8   3   9  14   7  15   6   5
   9   4  11  10   5   6   3   2   1   6   3   9  11   2   9   4
   5   3   2   5   2   1   1   5   9   3   7   6   2   1   3   2
   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    49  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    68    49    50  
   35    39    40    41    49  
   39    40    41    49  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    63    68    69    49    50    72  
   41    42    43    44    68    49    50  
   42    43    44    45    46    68    49    50  
   43    44    49  
   44    45    46    47    48    51    68    49    50  
   45    46    47    48    51    52    63    68    69    49    50    72    62    54  
   46    47    48    51    68    49    50  
   47    48    51    52    53    58    60    68    49    50    62    54    55    56    57  
   48    51    52    49    62    54  
   51    52    49    62    54  
   50    72    73    51    61    63    64    68    69  
   72    63    68    69  
   52    53    58    59    60    61    62    54    55    56    57  
   53    58    59    60    61    62    54    55    56    57  
   58    59    60    62    54  
   55    56    57    58    60    62  
   56    57    62  
   57    62  
   62  
   59    60    61    63    65    62  
   60    61    62  
   61    63    64    68    65    66    67    70    62  
   63    64    68    69    72    65    66    67    70    71    62  
   63    65  
   64    68    69    72    73    65    66    67    70  
   68    69    72    65  
   66    67    70    71    68  
   67    70    71  
   70    71  
   69    72    73    74    75  
   72    73  
   71  
    0  
   73    74    75    76    79  
   74    75    76    77    78    79    80    81    82  
   75    76    79  
   76    77    78    79    80    81    82  
   77    78    79    80    81    82  
   78    79  
   79  
   80    81    82  
   81    82  
   82  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.248000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   59   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   61   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   63   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   76   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   2.4200   0.0300   0.115000   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
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    49   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    49   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   268.000  1.529
   51    52   317.000  1.522
   51    62   320.000  1.410
   51    54   268.000  1.529
   52    53   570.000  1.229
   52    58   320.000  1.462
   58    59   340.000  1.080
   58    60   549.000  1.340
   60    61   380.000  1.444
   60    62   440.000  1.360
   61    63   549.000  1.340
   61    65   317.000  1.510
   63    64   340.000  1.080
   63    68   317.000  1.510
   68    69   340.000  1.090
   68    49   268.000  1.529
   68    72   320.000  1.410
   49    50   340.000  1.090
   72    73   214.000  1.327
   73    74   570.000  1.229
   73    75   320.000  1.462
   75    76   549.000  1.340
   75    79   317.000  1.510
   76    77   340.000  1.080
   76    78   340.000  1.080
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    70   320.000  1.410
   70    71   553.000  0.945
   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    49    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    49    44    58.35000  112.70000
   39    49    68    58.35000  112.70000
   39    49    50    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    50.00000  109.50000
   43    44    49    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    48    37.50000  110.70000
   44    46    51    58.35000  112.70000
   44    49    68    58.35000  112.70000
   44    49    50    37.50000  110.70000
   46    44    45    37.50000  110.70000
   46    51    52    63.00000  111.10000
   46    51    62    50.00000  109.50000
   46    51    54    58.35000  112.70000
   48    46    47    33.00000  107.80000
   51    46    47    37.50000  110.70000
   51    46    48    37.50000  110.70000
   51    52    53    80.00000  120.40000
   51    52    58    65.00000  118.62400
   51    62    60    90.00000  111.18400
   51    54    55    37.50000  110.70000
   51    54    56    37.50000  110.70000
   51    54    57    37.50000  110.70000
   52    58    59    40.00000  117.72500
   52    58    60    65.00000  118.96000
   58    52    53    80.00000  123.72100
   58    60    61    70.00000  123.01800
   58    60    62    80.00000  120.01400
   60    58    59    35.00000  120.00000
   60    61    63    70.00000  123.01800
   60    61    65    70.00000  124.00000
   61    63    64    35.00000  120.00000
   61    63    68    70.00000  124.00000
   61    65    66    35.00000  109.50000
   61    65    67    35.00000  109.50000
   61    65    70    90.00000  110.39200
   63    68    69    35.00000  109.50000
   63    68    49    70.00000  112.02700
   63    68    72    85.00000  110.90400
   68    63    64    35.00000  117.00000
   68    49    50    37.50000  110.70000
   68    72    73    83.00000  116.90000
   49    39    40    37.50000  110.70000
   49    39    41    63.00000  111.10000
   49    44    45    37.50000  110.70000
   49    44    46    58.35000  112.70000
   49    68    69    37.50000  110.70000
   72    68    69    35.00000  109.50000
   72    68    49    50.00000  109.50000
   72    73    74    83.00000  123.40000
   72    73    75    90.00000  111.29400
   73    75    76    65.00000  118.96000
   73    75    79    65.00000  116.34900
   75    73    74    80.00000  123.72100
   75    76    77    35.00000  120.00000
   75    76    78    35.00000  120.00000
   75    79    80    35.00000  109.50000
   75    79    81    35.00000  109.50000
   75    79    82    35.00000  109.50000
   78    76    77    35.00000  117.00000
   79    75    76    70.00000  124.00000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   65    61    63    70.00000  124.00000
   65    70    71    55.00000  108.50000
   67    65    66    33.00000  107.80000
   70    65    66    35.00000  109.50000
   70    65    67    35.00000  109.50000
   62    51    52    90.00000  108.74100
   62    60    61    80.00000  120.01400
   54    51    52    63.00000  111.10000
   54    51    62    50.00000  109.50000
   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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    49   0.44750  1.0 1.0
   29    33    39    49  -0.17800 -1.0 2.0
   29    33    39    49   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    49    44   0.56750  1.0 1.0
   33    39    49    44  -0.07550 -1.0 2.0
   33    39    49    44   0.20000  1.0 3.0
   33    39    49    68   0.56750  1.0 1.0
   33    39    49    68  -0.07550 -1.0 2.0
   33    39    49    68   0.20000  1.0 3.0
   33    39    49    50   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    49   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    49   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    49    44   0.15000  1.0 3.0
   40    39    49    68   0.15000  1.0 3.0
   40    39    49    50   0.15000  1.0 3.0
   41    39   -49    44  -0.95700  1.0 1.0
   41    39   -49    44  -0.18200 -1.0 2.0
   41    39   -49    44   0.29450  1.0 3.0
   41    39    49    68  -0.95700  1.0 1.0
   41    39    49    68  -0.18200 -1.0 2.0
   41    39    49    68   0.29450  1.0 3.0
   41    39    49    50  -0.11250  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43    44    46  -0.25900  1.0 1.0
   41    43    44    46  -0.47000 -1.0 2.0
   41    43    44    46   0.11750  1.0 3.0
   41    43   -44    49  -0.25900  1.0 1.0
   41    43   -44    49  -0.47000 -1.0 2.0
   41    43   -44    49   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44    46    47   0.23400  1.0 3.0
   43    44    46    48   0.23400  1.0 3.0
   43    44    46    51   0.62750  1.0 1.0
   43    44    46    51  -0.30950 -1.0 2.0
   43    44    46    51   0.27300  1.0 3.0
   43    44   -49    39   0.62750  1.0 1.0
   43    44   -49    39  -0.30950 -1.0 2.0
   43    44   -49    39   0.27300  1.0 3.0
   43    44    49    68   0.62750  1.0 1.0
   43    44    49    68  -0.30950 -1.0 2.0
   43    44    49    68   0.27300  1.0 3.0
   43    44    49    50   0.23400  1.0 3.0
   44    46    51    52  -0.95700  1.0 1.0
   44    46    51    52  -0.18200 -1.0 2.0
   44    46    51    52   0.29450  1.0 3.0
   44    46    51    62   0.62750  1.0 1.0
   44    46    51    62  -0.30950 -1.0 2.0
   44    46    51    62   0.27300  1.0 3.0
   44    46    51    54   0.56750  1.0 1.0
   44    46    51    54  -0.07550 -1.0 2.0
   44    46    51    54   0.20000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    48   0.15000  1.0 3.0
   45    44    46    51   0.15000  1.0 3.0
   45    44    49    39   0.15000  1.0 3.0
   45    44    49    68   0.15000  1.0 3.0
   45    44    49    50   0.15000  1.0 3.0
   46    44    49    39   0.56750  1.0 1.0
   46    44    49    39  -0.07550 -1.0 2.0
   46    44    49    39   0.20000  1.0 3.0
   46    44    49    68   0.56750  1.0 1.0
   46    44    49    68  -0.07550 -1.0 2.0
   46    44    49    68   0.20000  1.0 3.0
   46    44    49    50   0.15000  1.0 3.0
   46    51    52    53   0.30150 -1.0 2.0
   46    51    52    58   0.65300  1.0 1.0
   46    51    52    58  -0.03850 -1.0 2.0
   46    51    52    58   0.33900  1.0 3.0
   46    51    62    60  -0.46850  1.0 1.0
   46    51    62    60   0.09300 -1.0 2.0
   46    51    62    60  -0.12850  1.0 3.0
   46    51    54    55   0.15000  1.0 3.0
   46    51    54    56   0.15000  1.0 3.0
   46    51    54    57   0.15000  1.0 3.0
   47    46    51    52  -0.11250  1.0 3.0
   47    46    51    62   0.23400  1.0 3.0
   47    46    51    54   0.15000  1.0 3.0
   48    46    51    52  -0.11250  1.0 3.0
   48    46    51    62   0.23400  1.0 3.0
   48    46    51    54   0.15000  1.0 3.0
   51    52    58    59   0.04550  1.0 1.0
   51    52    58    59   0.83000 -1.0 2.0
   51    52    58    59  -0.04000  1.0 3.0
   51    52   -58    60  -0.33500  1.0 1.0
   51    52   -58    60   1.06600 -1.0 2.0
   51    52   -58    60  -0.14000  1.0 3.0
   52    51   -62    60  -0.48150  1.0 1.0
   52    51   -62    60   0.09250 -1.0 2.0
   52    51   -62    60  -0.12850  1.0 3.0
   52    51    54    55  -0.11250  1.0 3.0
   52    51    54    56  -0.11250  1.0 3.0
   52    51    54    57  -0.11250  1.0 3.0
   52    58    60    61   7.00000 -1.0 2.0
   52    58   -60    62   7.00000 -1.0 2.0
   53    52    58    59   0.00000  1.0 1.0
   53    52    58    60   1.00000 -1.0 2.0
   58    60    61    63   0.28850  1.0 1.0
   58    60    61    63   2.61350 -1.0 2.0
   58    60    61    63   0.78400  1.0 3.0
   58    60    61    65  -0.18600  1.0 3.0
   58    60   -62    51  -2.26850  1.0 1.0
   58    60   -62    51   3.39050 -1.0 2.0
   59    58    60    61   7.00000 -1.0 2.0
   59    58    60    62   7.00000 -1.0 2.0
   60    61    63    64   7.00000 -1.0 2.0
   60    61    63    68   7.00000 -1.0 2.0
   60    61    65    66   0.00000  1.0 1.0
   60    61    65    67   0.00000  1.0 1.0
   60    61    65    70  -0.17300  1.0 1.0
   60    61    65    70   0.35150 -1.0 2.0
   60    61    65    70   0.31550  1.0 3.0
   61    60    62    51  -2.26850  1.0 1.0
   61    60    62    51   3.39050 -1.0 2.0
   61    63    68    69   0.00000  1.0 1.0
   61    63    68    49   0.09850  1.0 1.0
   61    63    68    49   0.15250 -1.0 2.0
   61    63    68    49  -0.50650  1.0 3.0
   61    63    68    72   0.39000  1.0 1.0
   61    63    68    72  -0.05800 -1.0 2.0
   61    63    68    72  -0.55150  1.0 3.0
   61    65    70    71  -0.07800  1.0 1.0
   61    65    70    71  -0.21500 -1.0 2.0
   61    65    70    71  -0.03150  1.0 3.0
   63    61    65    66   0.00000  1.0 1.0
   63    61    65    67   0.00000  1.0 1.0
   63    61    65    70   0.67800  1.0 1.0
   63    61    65    70   0.47050 -1.0 2.0
   63    61    65    70  -0.62500  1.0 3.0
   63    68    49    39   0.34400  1.0 1.0
   63    68    49    39   0.09450 -1.0 2.0
   63    68    49    39   0.11100  1.0 3.0
   63    68    49    44   0.34400  1.0 1.0
   63    68    49    44   0.09450 -1.0 2.0
   63    68    49    44   0.11100  1.0 3.0
   63    68    49    50   0.15000  1.0 3.0
   63    68    72    73  -0.82050  1.0 1.0
   63    68    72    73   0.00600 -1.0 2.0
   63    68    72    73   0.04400  1.0 3.0
   64    63    68    69   0.33100  1.0 3.0
   64    63    68    49   0.00000  1.0 1.0
   64    63    68    72   0.00000  1.0 1.0
   68    72    73    74   3.00000 -1.0 2.0
   68    72    73    75   2.00000 -1.0 2.0
   69    68    49    39   0.15000  1.0 3.0
   69    68    49    44   0.15000  1.0 3.0
   69    68    49    50   0.15000  1.0 3.0
   69    68    72    73   0.08050  1.0 3.0
   49    39    41    42   0.30150 -1.0 2.0
   49    39   -41    43   0.36750  1.0 3.0
   49    44    46    47   0.15000  1.0 3.0
   49    44    46    48   0.15000  1.0 3.0
   49    44    46    51   0.56750  1.0 1.0
   49    44    46    51  -0.07550 -1.0 2.0
   49    44    46    51   0.20000  1.0 3.0
   49    68    72    73  -0.25900  1.0 1.0
   49    68    72    73  -0.47000 -1.0 2.0
   49    68    72    73   0.11750  1.0 3.0
   72    68    49    39   0.62750  1.0 1.0
   72    68    49    39  -0.30950 -1.0 2.0
   72    68    49    39   0.27300  1.0 3.0
   72    68    49    44   0.62750  1.0 1.0
   72    68    49    44  -0.30950 -1.0 2.0
   72    68    49    44   0.27300  1.0 3.0
   72    68    49    50   0.23400  1.0 3.0
   72    73    75    76  -0.56150  1.0 1.0
   72    73    75    76   2.19150 -1.0 2.0
   72    73    75    79  -0.15000  1.0 1.0
   72    73    75    79   0.89550 -1.0 2.0
   72    73    75    79  -0.06900  1.0 3.0
   73    75    76    77   7.00000 -1.0 2.0
   73    75    76    78   7.00000 -1.0 2.0
   73    75    79    80   0.15000  1.0 3.0
   73    75    79    81   0.15000  1.0 3.0
   73    75    79    82   0.15000  1.0 3.0
   74    73    75    76   1.00000 -1.0 2.0
   74    73    75    79  -0.64400  1.0 1.0
   74    73    75    79   0.26850 -1.0 2.0
   76    75    79    80   0.00000  1.0 1.0
   76    75    79    81   0.00000  1.0 1.0
   76    75    79    82   0.00000  1.0 1.0
   79    75    76    77   7.00000 -1.0 2.0
   79    75    76    78   7.00000 -1.0 2.0
   65    61    63    64   7.00000 -1.0 2.0
   65    61    63    68   7.00000 -1.0 2.0
   66    65    70    71   0.19450  1.0 3.0
   67    65    70    71   0.19450  1.0 3.0
   62    51    52    53   0.30150 -1.0 2.0
   62    51   -52    58   0.65300  1.0 1.0
   62    51   -52    58  -0.03850 -1.0 2.0
   62    51   -52    58   0.33900  1.0 3.0
   62    51    54    55   0.23400  1.0 3.0
   62    51    54    56   0.23400  1.0 3.0
   62    51    54    57   0.23400  1.0 3.0
   62    60    61    63  -0.51250  1.0 1.0
   62    60    61    63   1.23350 -1.0 2.0
   62    60    61    65   1.08500 -1.0 2.0
   54    51    52    53   0.30150 -1.0 2.0
   54    51    52    58   0.65300  1.0 1.0
   54    51    52    58  -0.03850 -1.0 2.0
   54    51    52    58   0.33900  1.0 3.0
   54    51    62    60  -0.46850  1.0 1.0
   54    51    62    60   0.09300 -1.0 2.0
   54    51    62    60  -0.12850  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
   38    30    36    37  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   51    58    52    53  10.50000 -1.0 2.0
   52    59    58    60   1.10000 -1.0 2.0
   61    62    60    58   1.10000 -1.0 2.0
   60    65    61    63   1.10000 -1.0 2.0
   68    64    63    61   1.10000 -1.0 2.0
   72    75    73    74  10.50000 -1.0 2.0
   73    79    75    76  15.00000 -1.0 2.0
   77    78    76    75  15.00000 -1.0 2.0
END
