* LIGAND DATABASE FILE (OPLS2005)
*
001      84    86    163    259     487
    1     0 S   NP   _N1_     1    31.31551    92.38167   -16.29064
    2     1 S   H    _HN1     2     1.02886   119.33485   -12.50355
    3     1 S   H    _H1_     3     1.03132   125.41850   131.59187
    4     1 S   H    _H2_     4     1.02759    33.84934    65.85081
    5     1 S   CT   _CA1     5     1.50228    77.64998  -121.18079
    6     5 S   HC   _HA1     6     1.09577   105.17753    56.98116
    7     5 S   CO3  _C1_     7     1.53667   113.14845   -63.29570
    8     7 S   O2Z  _O11     8     1.26298   115.29855   -42.26741
    9     7 S   O2Z  _O12     9     1.26288   114.85839   137.15139
   10     5 S   CT   _CB1    10     1.52783   107.02559   174.58239
   11    10 S   HC   HB11    11     1.09838   108.84724   -52.85382
   12    10 S   HC   HB12    12     1.09709   110.01072    63.00668
   13    10 S   CT   _CG1    13     1.53194   113.81143  -174.33452
   14    13 S   HC   HG11    14     1.09548   111.23586   -72.25812
   15    13 S   HC   HG12    15     1.09577   110.82953    47.62605
   16    13 S   C    _CD1    16     1.51495   109.47072   166.83734
   17    16 S   O    _OE1    17     1.22819   121.72162  -104.35000
   18    16 S   N    _N2_    18     1.38466   112.81104    72.90388
   19    18 S   H    _HN2    19     1.01536   119.17192     8.52655
   20    18 S   CT1  _CA2    20     1.46316   123.10883  -166.94024
   21    20 S   HC   _HA2    21     1.09726   109.34649    -6.45458
   22    20 S   C    _C2_    22     1.53230   108.98049  -122.82526
   23    22 S   O    _O2_    23     1.23033   122.15330  -145.63414
   24    20 S   CT   _CB2    32     1.54186   110.97856   114.72184
   25    24 S   HC   HB21    33     1.09115   108.04645    64.05469
   26    24 S   HC   HB22    34     1.09203   109.57629  -178.22480
   27    22 S   N    _N3_    24     1.38469   113.46257    41.69759
   28    27 S   H    _HN3    25     1.01529   118.94027    -0.40638
   29    24 S   S    _SG2    35     1.83387   110.32834   -57.12344
   30    27 S   CT   _CA3    26     1.45425   123.25040   175.37695
   31    30 S   HC   HA31    27     1.09541   108.96360    29.19132
   32    30 S   HC   HA32    28     1.09490   107.17928   146.12733
   33    29 S   CT   _C14    36     1.93137   105.94512   173.24625
   34    30 S   CO3  _C3_    29     1.52936   113.34942   -94.11351
   35    34 S   O2Z  _O31    30     1.26384   115.51071   -42.92106
   36    34 S   O2Z  _O32    31     1.26377   114.91904   138.06468
   37    33 S   CM   _C9_    37     1.53948   110.50326   -28.24466
   38    37 S   CM   _C10    38     1.34174   125.37109   130.00533
   39    38 S   HC   _H13    39     1.08608   122.40950   179.04612
   40    37 S   CM   _C8_    67     1.45145   117.24689   -58.91753
   41    40 S   HC   _H12    68     1.08710   116.41824   152.58848
   42    38 S   CO4  _C11    40     1.48019   121.39380     8.36722
   43    42 S   O    _O33    41     1.22785   117.86371  -174.28197
   44    40 S   CM   _C7_    69     1.34072   123.65632   -30.80331
   45    42 S   CT   _C12    42     1.53208   117.25832    10.62327
   46    45 S   HC   _H3_    43     1.10070   104.05304    66.76260
   47    44 S   CO4  _C16    70     1.50620   117.99895    -2.23108
   48    47 S   O    _O34    71     1.23596   117.99657  -172.90953
   49    44 S   CT   _C5_    75     1.51873   124.33656  -179.92087
   50    49 S   HC   _H8_    76     1.09581   108.32329  -152.79951
   51    33 S   CT   _C13    44     1.65010   109.29764    93.08378
   52    33 S   CT   _C15    72     1.60385   107.56927  -140.01040
   53    52 S   OM   _O35    73     1.32578   112.77643   -50.36271
   54    52 S   HC   _H4_    74     1.10095   106.55830   177.03905
   55    49 S   CT   _C4_    77     1.53360   114.11972   -35.53012
   56    55 S   HC   _H5_    78     1.09511   112.11308    69.07188
   57    55 S   HC   _H6_    79     1.09521   111.07308   -52.30052
   58    55 S   HC   _H7_    80     1.09578   110.27900  -171.44645
   59    49 S   CT   _C6_    81     1.53027   110.55444    89.39845
   60    59 S   HC   _H9_    82     1.09584   111.44481   -63.70402
   61    59 S   HC   _H10    83     1.09543   110.66031   176.30144
   62    59 S   HC   _H11    84     1.09548   111.26416    56.75459
   63    51 S   CT   _C17    45     1.55495   112.33681    74.90665
   64    63 S   HC   _H14    46     1.09238   110.12433    53.02271
   65    63 S   HC   _H15    47     1.09621   110.60637   -65.36123
   66    51 S   CT   _C23    63     1.56038   110.55942   -44.67713
   67    66 S   HC   _H26    64     1.09314   112.44384   -53.77924
   68    66 S   HC   _H27    65     1.08622   113.11963  -174.00554
   69    66 S   HC   _H28    66     1.09447   111.96206    68.35147
   70    63 S   CT   _C18    48     1.52521   114.64145   170.85664
   71    70 S   HC   _H16    49     1.09355   111.39458    65.01550
   72    70 S   HC   _H17    50     1.09696   108.82276  -178.47980
   73    70 S   CT   _C19    51     1.52372   110.22568   -59.31843
   74    73 S   HC   _H18    52     1.09766   109.09016  -177.55696
   75    73 S   HC   _H19    53     1.09875   108.28375   -62.71657
   76    45 S   CT   _C20    54     1.57994   114.88635   179.59555
   77    76 S   CT   _C21    55     1.55351   108.80947   -68.60375
   78    77 S   HC   _H20    56     1.09395   112.06244    67.20038
   79    77 S   HC   _H21    57     1.09594   111.37637   -53.59893
   80    77 S   HC   _H22    58     1.09659   111.09464  -172.94801
   81    76 S   CT   _C22    59     1.54630   116.53050    51.78888
   82    81 S   HC   _H23    60     1.09113   113.27198   -48.05288
   83    81 S   HC   _H24    61     1.09778   110.28282  -167.13012
   84    81 S   HC   _H25    62     1.09013   113.39476    75.25370
  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  12   5   4   3
  24   2   1   1  16  11   4  11   3  10   4  15  23   7   9   4
  10   8  17   4   1   1   7   3   2   1   3   2   1   1  13   6
   5   5   2   1   1   8   5   4  11   4   3   8   7   3   2   1
   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    51    52    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    45    51    63    66    40    47    52    53    54  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    42    45    46    51    63    64    65    70    76    66    67    68    69    40    41    44    47    48    52    53    54  
   35    36  
   36  
    0  
   38    39    42    43    45    51    63    66    40    41    44    47    52    53    54    49  
   39    42    43    45    46    51    76    40    41    44    52  
   42    43    45    40  
   41    44    47    48    52    49    50    55    59    42    51  
   44    47    49  
   43    45    46    51    63    73    76    77    81    66  
   45    46    51    76  
   47    48    52    53    54    49    50    55    56    57    58    59    60    61    62  
   46    51    63    64    65    70    73    74    75    76    77    78    79    80    81    82    83    84    66    67    68    69    52  
   51    63    73    76    77    81    66  
   48    52    53    54    49    50    55    59    51  
   52    53    54    49  
   50    55    56    57    58    59    60    61    62    52  
   55    56    57    58    59    60    61    62  
   63    64    65    70    71    72    73    76    77    81    66    67    68    69    52    53    54  
   53    54    63    66  
   54  
    0  
   56    57    58    59    60    61    62  
   57    58    59  
   58    59  
   59  
   60    61    62  
   61    62  
   62  
    0  
   64    65    70    71    72    73    74    75    76    66    67    68    69  
   65    70    71    72    73    66  
   70    71    72    73    66  
   67    68    69    70    76  
   68    69  
   69  
    0  
   71    72    73    74    75    76    77    81  
   72    73    74    75    76  
   73    74    75    76  
   74    75    76    77    78    79    80    81    82    83    84  
   75    76    77    81  
   76    77    81  
   77    78    79    80    81    82    83    84  
   78    79    80    81    82    83    84  
   79    80    81  
   80    81  
   81  
   82    83    84  
   83    84  
   84  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   45   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   54   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    51   268.000  1.529
   33    52   268.000  1.529
   37    38   549.000  1.340
   37    40   380.000  1.444
   38    39   340.000  1.080
   38    42   320.000  1.462
   42    43   570.000  1.229
   42    45   317.000  1.522
   45    46   340.000  1.090
   45    51   268.000  1.529
   45    76   268.000  1.529
   51    63   268.000  1.529
   51    66   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   268.000  1.529
   76    77   268.000  1.529
   76    81   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   40    41   340.000  1.080
   40    44   549.000  1.340
   44    47   320.000  1.462
   44    49   317.000  1.510
   47    48   570.000  1.229
   47    52   317.000  1.522
   52    53   570.000  1.307
   52    54   340.000  1.090
   49    50   340.000  1.090
   49    55   268.000  1.529
   49    59   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    51    75.00000  111.63000
   29    33    52    75.00000  111.63000
   33    37    38    70.00000  124.00000
   33    37    40    70.00000  124.00000
   33    51    45    58.35000  112.70000
   33    51    63    58.35000  112.70000
   33    51    66    58.35000  112.70000
   33    52    47    63.00000  111.10000
   33    52    53    50.00000  109.50000
   33    52    54    37.50000  110.70000
   37    38    39    35.00000  120.00000
   37    38    42    65.00000  118.96000
   37    40    41    35.00000  120.00000
   37    40    44    70.00000  123.01800
   38    42    43    80.00000  123.72100
   38    42    45    65.00000  118.62400
   42    38    39    40.00000  117.72500
   42    45    46    35.00000  109.50000
   42    45    51    63.00000  111.10000
   42    45    76    63.00000  111.10000
   45    42    43    80.00000  120.40000
   45    51    63    58.35000  112.70000
   45    51    66    58.35000  112.70000
   45    76    73    58.35000  112.70000
   45    76    77    58.35000  112.70000
   45    76    81    58.35000  112.70000
   51    33    37    70.00000  112.02700
   51    45    46    37.50000  110.70000
   51    63    64    37.50000  110.70000
   51    63    65    37.50000  110.70000
   51    63    70    58.35000  112.70000
   51    66    67    37.50000  110.70000
   51    66    68    37.50000  110.70000
   51    66    69    37.50000  110.70000
   63    70    71    37.50000  110.70000
   63    70    72    37.50000  110.70000
   63    70    73    58.35000  112.70000
   65    63    64    33.00000  107.80000
   70    63    64    37.50000  110.70000
   70    63    65    37.50000  110.70000
   70    73    74    37.50000  110.70000
   70    73    75    37.50000  110.70000
   70    73    76    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    37.50000  110.70000
   73    70    72    37.50000  110.70000
   73    76    77    58.35000  112.70000
   73    76    81    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    45    46    37.50000  110.70000
   76    45    51    58.35000  112.70000
   76    73    74    37.50000  110.70000
   76    73    75    37.50000  110.70000
   76    77    78    37.50000  110.70000
   76    77    79    37.50000  110.70000
   76    77    80    37.50000  110.70000
   76    81    82    37.50000  110.70000
   76    81    83    37.50000  110.70000
   76    81    84    37.50000  110.70000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   81    76    77    58.35000  112.70000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   66    51    63    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   40    37    38    70.00000  123.01800
   40    44    47    65.00000  118.96000
   40    44    49    70.00000  124.00000
   44    40    41    35.00000  120.00000
   44    47    48    80.00000  123.72100
   44    47    52    65.00000  118.62400
   44    49    50    35.00000  109.50000
   44    49    55    70.00000  112.02700
   44    49    59    70.00000  112.02700
   47    52    53    90.00000  108.74100
   47    52    54    35.00000  109.50000
   52    33    37    70.00000  112.02700
   52    33    51    58.35000  112.70000
   52    47    48    80.00000  120.40000
   54    52    53    45.00000  125.66300
   49    44    47    65.00000  116.34900
   49    55    56    37.50000  110.70000
   49    55    57    37.50000  110.70000
   49    55    58    37.50000  110.70000
   49    59    60    37.50000  110.70000
   49    59    61    37.50000  110.70000
   49    59    62    37.50000  110.70000
   55    49    50    37.50000  110.70000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   59    49    50    37.50000  110.70000
   59    49    55    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    51   0.01700  1.0 1.0
   24    29    33    51  -0.23550 -1.0 2.0
   24    29    33    51   0.21350  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   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    37    38   0.42700  1.0 1.0
   29    33    37    38  -0.70350 -1.0 2.0
   29    33    37    38  -0.43150  1.0 3.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    51    45   0.44750  1.0 1.0
   29    33    51    45  -0.17800 -1.0 2.0
   29    33    51    45   0.20200  1.0 3.0
   29    33    51    63   0.44750  1.0 1.0
   29    33    51    63  -0.17800 -1.0 2.0
   29    33    51    63   0.20200  1.0 3.0
   29    33    51    66   0.44750  1.0 1.0
   29    33    51    66  -0.17800 -1.0 2.0
   29    33    51    66   0.20200  1.0 3.0
   29    33    52    47   0.56750  1.0 1.0
   29    33    52    47  -0.07550 -1.0 2.0
   29    33    52    47   0.20000  1.0 3.0
   29    33    52    53   0.56750  1.0 1.0
   29    33    52    53  -0.07550 -1.0 2.0
   29    33    52    53   0.20000  1.0 3.0
   29    33    52    54   0.15000  1.0 3.0
   33    37    38    39   7.00000 -1.0 2.0
   33    37    38    42   7.00000 -1.0 2.0
   33    37    40    41   0.00000  1.0 1.0
   33    37    40    44  -0.18600  1.0 3.0
   33    51    63    64   0.15000  1.0 3.0
   33    51    63    65   0.15000  1.0 3.0
   33    51    63    70   0.56750  1.0 1.0
   33    51    63    70  -0.07550 -1.0 2.0
   33    51    63    70   0.20000  1.0 3.0
   33    51    66    67   0.15000  1.0 3.0
   33    51    66    68   0.15000  1.0 3.0
   33    51    66    69   0.15000  1.0 3.0
   37    33    51    45   0.34400  1.0 1.0
   37    33    51    45   0.09450 -1.0 2.0
   37    33    51    45   0.11100  1.0 3.0
   37    33    51    63   0.34400  1.0 1.0
   37    33    51    63   0.09450 -1.0 2.0
   37    33    51    63   0.11100  1.0 3.0
   37    33    51    66   0.34400  1.0 1.0
   37    33    51    66   0.09450 -1.0 2.0
   37    33    51    66   0.11100  1.0 3.0
   37    33    52    47  -0.98800  1.0 1.0
   37    33    52    47   0.48800 -1.0 2.0
   37    33    52    47   0.76800  1.0 3.0
   37    33    52    53   0.61850  1.0 1.0
   37    33    52    53  -0.22750 -1.0 2.0
   37    33    52    53   0.15300  1.0 3.0
   37    33    52    54   0.15000  1.0 3.0
   37    38    42    43   1.00000 -1.0 2.0
   37    38   -42    45  -0.33500  1.0 1.0
   37    38   -42    45   1.06600 -1.0 2.0
   37    38   -42    45  -0.14000  1.0 3.0
   37    40   -44    47   7.00000 -1.0 2.0
   37    40    44    49   7.00000 -1.0 2.0
   38    37    40    41  -0.18600  1.0 3.0
   38    37    40    44   0.28850  1.0 1.0
   38    37    40    44   2.61350 -1.0 2.0
   38    37    40    44   0.78400  1.0 3.0
   38    42    45    46   0.00000  1.0 1.0
   38    42    45    51   0.65300  1.0 1.0
   38    42    45    51  -0.03850 -1.0 2.0
   38    42    45    51   0.33900  1.0 3.0
   38    42    45    76   0.65300  1.0 1.0
   38    42    45    76  -0.03850 -1.0 2.0
   38    42    45    76   0.33900  1.0 3.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    45   0.04550  1.0 1.0
   39    38    42    45   0.83000 -1.0 2.0
   39    38    42    45  -0.04000  1.0 3.0
   42    45   -51    33  -0.95700  1.0 1.0
   42    45   -51    33  -0.18200 -1.0 2.0
   42    45   -51    33   0.29450  1.0 3.0
   42    45    51    63  -0.95700  1.0 1.0
   42    45    51    63  -0.18200 -1.0 2.0
   42    45    51    63   0.29450  1.0 3.0
   42    45    51    66  -0.95700  1.0 1.0
   42    45    51    66  -0.18200 -1.0 2.0
   42    45    51    66   0.29450  1.0 3.0
   42    45    76    73  -0.95700  1.0 1.0
   42    45    76    73  -0.18200 -1.0 2.0
   42    45    76    73   0.29450  1.0 3.0
   42    45    76    77  -0.95700  1.0 1.0
   42    45    76    77  -0.18200 -1.0 2.0
   42    45    76    77   0.29450  1.0 3.0
   42    45    76    81  -0.95700  1.0 1.0
   42    45    76    81  -0.18200 -1.0 2.0
   42    45    76    81   0.29450  1.0 3.0
   43    42    45    46   0.00000  1.0 1.0
   43    42    45    51   0.30150 -1.0 2.0
   43    42    45    76   0.30150 -1.0 2.0
   45    51    63    64   0.15000  1.0 3.0
   45    51    63    65   0.15000  1.0 3.0
   45    51    63    70   0.56750  1.0 1.0
   45    51    63    70  -0.07550 -1.0 2.0
   45    51    63    70   0.20000  1.0 3.0
   45    51    66    67   0.15000  1.0 3.0
   45    51    66    68   0.15000  1.0 3.0
   45    51    66    69   0.15000  1.0 3.0
   45    76    77    78   0.15000  1.0 3.0
   45    76    77    79   0.15000  1.0 3.0
   45    76    77    80   0.15000  1.0 3.0
   45    76    81    82   0.15000  1.0 3.0
   45    76    81    83   0.15000  1.0 3.0
   45    76    81    84   0.15000  1.0 3.0
   46    45    51    33   0.15000  1.0 3.0
   46    45    51    63   0.15000  1.0 3.0
   46    45    51    66   0.15000  1.0 3.0
   46    45    76    73   0.15000  1.0 3.0
   46    45    76    77   0.15000  1.0 3.0
   46    45    76    81   0.15000  1.0 3.0
   51    33   -37    38   0.09850  1.0 1.0
   51    33   -37    38   0.15250 -1.0 2.0
   51    33   -37    38  -0.50650  1.0 3.0
   51    33    37    40   0.98200  1.0 1.0
   51    33    37    40  -0.11900 -1.0 2.0
   51    33    37    40   0.24250  1.0 3.0
   51    33    52    47  -0.95700  1.0 1.0
   51    33    52    47  -0.18200 -1.0 2.0
   51    33    52    47   0.29450  1.0 3.0
   51    33    52    53   0.62750  1.0 1.0
   51    33    52    53  -0.30950 -1.0 2.0
   51    33    52    53   0.27300  1.0 3.0
   51    33    52    54   0.15000  1.0 3.0
   51    45    76    73   0.56750  1.0 1.0
   51    45    76    73  -0.07550 -1.0 2.0
   51    45    76    73   0.20000  1.0 3.0
   51    45    76    77   0.56750  1.0 1.0
   51    45    76    77  -0.07550 -1.0 2.0
   51    45    76    77   0.20000  1.0 3.0
   51    45    76    81   0.56750  1.0 1.0
   51    45    76    81  -0.07550 -1.0 2.0
   51    45    76    81   0.20000  1.0 3.0
   51    63    70    71   0.15000  1.0 3.0
   51    63    70    72   0.15000  1.0 3.0
   51    63   -70    73   0.56750  1.0 1.0
   51    63   -70    73  -0.07550 -1.0 2.0
   51    63   -70    73   0.20000  1.0 3.0
   63    51    66    67   0.15000  1.0 3.0
   63    51    66    68   0.15000  1.0 3.0
   63    51    66    69   0.15000  1.0 3.0
   63    70    73    74   0.15000  1.0 3.0
   63    70    73    75   0.15000  1.0 3.0
   63    70    73    76   0.56750  1.0 1.0
   63    70    73    76  -0.07550 -1.0 2.0
   63    70    73    76   0.20000  1.0 3.0
   64    63    70    71   0.15000  1.0 3.0
   64    63    70    72   0.15000  1.0 3.0
   64    63    70    73   0.15000  1.0 3.0
   65    63    70    71   0.15000  1.0 3.0
   65    63    70    72   0.15000  1.0 3.0
   65    63    70    73   0.15000  1.0 3.0
   70    73   -76    45   0.56750  1.0 1.0
   70    73   -76    45  -0.07550 -1.0 2.0
   70    73   -76    45   0.20000  1.0 3.0
   70    73    76    77   0.56750  1.0 1.0
   70    73    76    77  -0.07550 -1.0 2.0
   70    73    76    77   0.20000  1.0 3.0
   70    73    76    81   0.56750  1.0 1.0
   70    73    76    81  -0.07550 -1.0 2.0
   70    73    76    81   0.20000  1.0 3.0
   71    70    73    74   0.15000  1.0 3.0
   71    70    73    75   0.15000  1.0 3.0
   71    70    73    76   0.15000  1.0 3.0
   72    70    73    74   0.15000  1.0 3.0
   72    70    73    75   0.15000  1.0 3.0
   72    70    73    76   0.15000  1.0 3.0
   73    76    77    78   0.15000  1.0 3.0
   73    76    77    79   0.15000  1.0 3.0
   73    76    77    80   0.15000  1.0 3.0
   73    76    81    82   0.15000  1.0 3.0
   73    76    81    83   0.15000  1.0 3.0
   73    76    81    84   0.15000  1.0 3.0
   74    73    76    45   0.15000  1.0 3.0
   74    73    76    77   0.15000  1.0 3.0
   74    73    76    81   0.15000  1.0 3.0
   75    73    76    45   0.15000  1.0 3.0
   75    73    76    77   0.15000  1.0 3.0
   75    73    76    81   0.15000  1.0 3.0
   76    45    51    33   0.56750  1.0 1.0
   76    45    51    33  -0.07550 -1.0 2.0
   76    45    51    33   0.20000  1.0 3.0
   76    45   -51    63   0.56750  1.0 1.0
   76    45   -51    63  -0.07550 -1.0 2.0
   76    45   -51    63   0.20000  1.0 3.0
   76    45    51    66   0.56750  1.0 1.0
   76    45    51    66  -0.07550 -1.0 2.0
   76    45    51    66   0.20000  1.0 3.0
   77    76    81    82   0.15000  1.0 3.0
   77    76    81    83   0.15000  1.0 3.0
   77    76    81    84   0.15000  1.0 3.0
   81    76    77    78   0.15000  1.0 3.0
   81    76    77    79   0.15000  1.0 3.0
   81    76    77    80   0.15000  1.0 3.0
   66    51    63    64   0.15000  1.0 3.0
   66    51    63    65   0.15000  1.0 3.0
   66    51    63    70   0.56750  1.0 1.0
   66    51    63    70  -0.07550 -1.0 2.0
   66    51    63    70   0.20000  1.0 3.0
   40    37    38    39   7.00000 -1.0 2.0
   40    37    38    42   7.00000 -1.0 2.0
   40    44    47    48   1.00000 -1.0 2.0
   40    44    47    52  -0.33500  1.0 1.0
   40    44    47    52   1.06600 -1.0 2.0
   40    44    47    52  -0.14000  1.0 3.0
   40    44    49    50   0.00000  1.0 1.0
   40    44    49    55   0.09850  1.0 1.0
   40    44    49    55   0.15250 -1.0 2.0
   40    44    49    55  -0.50650  1.0 3.0
   40    44    49    59   0.09850  1.0 1.0
   40    44    49    59   0.15250 -1.0 2.0
   40    44    49    59  -0.50650  1.0 3.0
   41    40    44    47   7.00000 -1.0 2.0
   41    40    44    49   7.00000 -1.0 2.0
   44    47   -52    33   0.65300  1.0 1.0
   44    47   -52    33  -0.03850 -1.0 2.0
   44    47   -52    33   0.33900  1.0 3.0
   44    47    52    53   0.65300  1.0 1.0
   44    47    52    53  -0.03850 -1.0 2.0
   44    47    52    53   0.33900  1.0 3.0
   44    47    52    54   0.00000  1.0 1.0
   44    49    55    56   0.15000  1.0 3.0
   44    49    55    57   0.15000  1.0 3.0
   44    49    55    58   0.15000  1.0 3.0
   44    49    59    60   0.15000  1.0 3.0
   44    49    59    61   0.15000  1.0 3.0
   44    49    59    62   0.15000  1.0 3.0
   47    44    49    50   0.15000  1.0 3.0
   47    44    49    55   0.09700  1.0 1.0
   47    44    49    55   0.15600 -1.0 2.0
   47    44    49    55  -0.50800  1.0 3.0
   47    44    49    59   0.09700  1.0 1.0
   47    44    49    59   0.15600 -1.0 2.0
   47    44    49    59  -0.50800  1.0 3.0
   48    47    52    33   0.30150 -1.0 2.0
   48    47    52    53   0.30150 -1.0 2.0
   48    47    52    54   0.00000  1.0 1.0
   52    33    37    38   0.09850  1.0 1.0
   52    33    37    38   0.15250 -1.0 2.0
   52    33    37    38  -0.50650  1.0 3.0
   52    33   -37    40   0.98200  1.0 1.0
   52    33   -37    40  -0.11900 -1.0 2.0
   52    33   -37    40   0.24250  1.0 3.0
   52    33    51    45   0.56750  1.0 1.0
   52    33    51    45  -0.07550 -1.0 2.0
   52    33    51    45   0.20000  1.0 3.0
   52    33    51    63   0.56750  1.0 1.0
   52    33    51    63  -0.07550 -1.0 2.0
   52    33    51    63   0.20000  1.0 3.0
   52    33    51    66   0.56750  1.0 1.0
   52    33    51    66  -0.07550 -1.0 2.0
   52    33    51    66   0.20000  1.0 3.0
   49    44    47    48  -0.64400  1.0 1.0
   49    44    47    48   0.26850 -1.0 2.0
   49    44    47    52   0.25700  1.0 1.0
   49    44    47    52   0.66200 -1.0 2.0
   49    44    47    52   0.04450  1.0 3.0
   50    49    55    56   0.15000  1.0 3.0
   50    49    55    57   0.15000  1.0 3.0
   50    49    55    58   0.15000  1.0 3.0
   50    49    59    60   0.15000  1.0 3.0
   50    49    59    61   0.15000  1.0 3.0
   50    49    59    62   0.15000  1.0 3.0
   55    49    59    60   0.15000  1.0 3.0
   55    49    59    61   0.15000  1.0 3.0
   55    49    59    62   0.15000  1.0 3.0
   59    49    55    56   0.15000  1.0 3.0
   59    49    55    57   0.15000  1.0 3.0
   59    49    55    58   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    40    37    38   1.10000 -1.0 2.0
   42    39    38    37   1.10000 -1.0 2.0
   38    45    42    43  10.50000 -1.0 2.0
   37    41    40    44   1.10000 -1.0 2.0
   47    49    44    40   1.10000 -1.0 2.0
   44    52    47    48  10.50000 -1.0 2.0
END
