* LIGAND DATABASE FILE (OPLS2005)
*
001      84    85    158    240     451
    1     0 S   NP   _N1_     1    28.85972    94.94754   -18.95853
    2     1 S   H    _HN1     2     1.02839    32.36741   158.47717
    3     1 S   H    _H1_     3     1.02777    80.15580   -52.61945
    4     1 S   H    _H2_     4     1.02954   101.18180    54.35005
    5     1 S   CT   _CA1     5     1.50176   138.98025  -165.39495
    6     5 S   HC   _HA1     6     1.09577   105.18649    39.29279
    7     5 S   CO3  _C1_     7     1.53840   112.45050   -80.69390
    8     7 S   O2Z  _O11     8     1.26345   115.01600   -39.90710
    9     7 S   O2Z  _O12     9     1.26237   114.94847   139.19583
   10     5 S   CT   _CB1    10     1.53101   107.36106   157.08955
   11    10 S   HC   HB11    11     1.09807   109.24987   -50.69501
   12    10 S   HC   HB12    12     1.09806   110.40749    65.78859
   13    10 S   CT   _CG1    13     1.53013   112.82127  -172.01407
   14    13 S   HC   HG11    14     1.09563   110.07807   -62.19862
   15    13 S   HC   HG12    15     1.09612   110.33665    56.89519
   16    13 S   C    _CD1    16     1.51870   112.01995   176.81156
   17    16 S   O    _OE1    17     1.22744   123.02483   -20.42745
   18    16 S   N    _N2_    18     1.38558   111.85408   160.56868
   19    18 S   H    _HN2    19     1.01602   118.91792     0.89394
   20    18 S   CT1  _CA2    20     1.46271   123.65112  -177.04315
   21    20 S   HC   _HA2    21     1.09736   109.23897   -21.74275
   22    20 S   C    _C2_    22     1.53431   107.93964  -137.36436
   23    22 S   O    _O2_    23     1.22992   122.39921  -144.72497
   24    20 S   CT   _CB2    32     1.53694   111.38387   100.64284
   25    24 S   HC   HB21    33     1.09480   109.64368    51.34945
   26    24 S   HC   HB22    34     1.09480   110.34395   170.11833
   27    22 S   N    _N3_    24     1.38555   113.21332    42.59466
   28    27 S   H    _HN3    25     1.01540   118.91771    -0.44146
   29    24 S   S    _SG2    35     1.83013   111.68502   -71.02788
   30    27 S   CT   _CA3    26     1.45446   123.39336   175.11609
   31    30 S   HC   HA31    27     1.09527   109.16067    25.64022
   32    30 S   HC   HA32    28     1.09493   107.13316   142.64251
   33    29 S   CT   _C16    36     1.85087   101.72115   154.93173
   34    30 S   CO3  _C3_    29     1.52936   113.20347   -97.77869
   35    34 S   O2Z  _O31    30     1.26396   115.45698   -42.97932
   36    34 S   O2Z  _O32    31     1.26362   114.94567   137.96906
   37    33 S   CT   _C11    37     1.56133   116.24000   -63.68547
   38    37 S   HC   _H30    38     1.09726   109.77785    93.21840
   39    33 S   CT   _C21    81     1.54704   107.73012    60.61373
   40    39 S   HC   _H46    82     1.09642   111.48452    55.82978
   41    39 S   HC   _H47    83     1.09516   111.93717   -65.48005
   42    39 S   HC   _H48    84     1.09536   112.03153   175.50821
   43    37 S   CO4  _C4_    39     1.52516   100.65594  -152.75799
   44    43 S   O    _O20    40     1.22583   124.01251  -163.86894
   45    37 S   CT   _C22    73     1.53951   117.45148   -33.80609
   46    45 S   HC   _H49    74     1.09211   110.27370    55.93443
   47    45 S   HC   _H50    75     1.09523   111.03302   -62.42567
   48    43 S   CT   _C10    41     1.50913   113.19553    15.26779
   49    48 S   HC   _H28    42     1.09256   109.84301   129.26249
   50    48 S   HC   _H29    43     1.09338   108.51398  -109.51219
   51    45 S   CM   _C7_    76     1.50431   112.60556   173.94320
   52    51 S   HC   _H27    77     1.08704   117.39562   -56.22841
   53    33 S   CT   _C14    44     1.55531   109.37008   179.30931
   54    53 S   HC   _H33    45     1.09709   111.75601   -74.30404
   55    51 S   CM   _C5_    78     1.33782   123.95555   124.84565
   56    55 S   HC   _H24    79     1.08458   120.52292   179.30761
   57    55 S   HC   _H25    80     1.08457   121.65468    -0.19782
   58    53 S   OS   _O22    46     1.44431   110.68813    48.38193
   59    58 S   CO4  _C9_    47     1.35928   117.46619  -159.56231
   60    59 S   O    _O21    48     1.22206   126.96428    -0.28599
   61    59 S   C3T  _C13    49     1.47903   110.49326   178.78051
   62    61 S   HC   _H32    50     1.08719   112.62969   -72.02430
   63    61 S   C3T  _C12    51     1.51438   120.41250   143.71261
   64    63 S   HC   _H31    52     1.08684   116.63215    -2.13433
   65    61 S   C3T  _C15    53     1.52038   120.63087    72.66246
   66    63 S   CM   _C6_    62     1.47042   118.95172   138.76121
   67    66 S   HC   _H26    63     1.08891   115.07064   -29.55137
   68    65 S   CT   _C19    54     1.50916   116.58734  -138.24437
   69    68 S   HC   _H40    55     1.09434   109.82861    89.31239
   70    68 S   HC   _H41    56     1.09498   112.73138   -30.31102
   71    68 S   HC   _H42    57     1.09482   110.46732  -151.38325
   72    65 S   CT   _C20    58     1.51002   120.09568     4.73967
   73    72 S   HC   _H43    59     1.09436   110.43573   -81.21802
   74    72 S   HC   _H44    60     1.09515   110.14957   159.31685
   75    72 S   HC   _H45    61     1.09500   112.46716    39.47792
   76    66 S   CM   _C8_    64     1.34710   127.32223   151.31651
   77    76 S   CT   _C17    65     1.50325   121.22564   179.83568
   78    77 S   HC   _H34    66     1.09491   110.23549   120.18837
   79    77 S   HC   _H35    67     1.09488   110.26472  -119.99012
   80    77 S   HC   _H36    68     1.09506   112.33287     0.12033
   81    76 S   CT   _C18    69     1.50264   123.71322    -0.21850
   82    81 S   HC   _H37    70     1.09500   110.14110   121.56468
   83    81 S   HC   _H38    71     1.09494   110.11822  -118.89313
   84    81 S   HC   _H39    72     1.09369   113.00407     1.43518
  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  13   5   4   3
  19   2   1   1  19   9   9   3   2   1  11   5   9   4   3   6
   4   3   4   3   5   2   2   1   1   6   9   4  15   6  15   6
  11  12   3   7   3   2   1   3   2   1   1   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    53    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    48    53    54    58    45    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    48    49    50    53    54    58    59    45    46    47    51    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    48    49    50    53    54    58    45    46    47    51    52    55    39    40    41    42  
   43    44    48    53    45    46    47    51    39  
   40    41    42    43    45    48    53    54    58  
   41    42    53  
   42    53  
   53  
   44    48    49    50    53    54    58    45    46    47    51  
   48    49    50    53    45  
   46    47    51    52    55    56    57    48    53  
   47    51    52    55  
   51    52    55  
   49    50    53    54    58    59  
   50    53    54    58  
   53    54    58  
   52    55    56    57  
   55    56    57  
   54    58    59    60    61  
   58    59  
   56    57  
   57  
    0  
   59    60    61    62    63    65  
   60    61    62    63    64    65    68    72    66  
   61    62    63    65  
   62    63    64    65    68    69    70    71    72    73    74    75    66    67    76  
   63    64    65    68    72    66  
   64    65    68    69    70    71    72    73    74    75    66    67    76    77    81  
   65    68    72    66    67    76  
   68    69    70    71    72    73    74    75    66    67    76  
   67    76    77    78    79    80    81    82    83    84    68    72  
   76    77    81  
   69    70    71    72    73    74    75  
   70    71    72  
   71    72  
   72  
   73    74    75  
   74    75  
   75  
    0  
   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   59   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   63   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   268.000  1.529
   33    53   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    43   317.000  1.522
   37    45   268.000  1.529
   43    44   570.000  1.229
   43    48   317.000  1.522
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    53   268.000  1.529
   53    54   340.000  1.090
   53    58   320.000  1.410
   58    59   214.000  1.327
   59    60   570.000  1.229
   59    61   290.000  1.496
   61    62   340.000  1.088
   61    63   260.000  1.509
   61    65   260.000  1.509
   63    64   340.000  1.088
   63    65   260.000  1.509
   63    66   305.000  1.480
   65    68   275.000  1.510
   65    72   275.000  1.510
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   66    67   340.000  1.080
   66    76   549.000  1.340
   76    77   317.000  1.510
   76    81   317.000  1.510
   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
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    51   317.000  1.510
   51    52   340.000  1.080
   51    55   549.000  1.340
   55    56   340.000  1.080
   55    57   340.000  1.080
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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  111.63000
   29    33    53    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    43    63.00000  111.10000
   33    37    45    58.35000  112.70000
   33    53    48    58.35000  112.70000
   33    53    54    37.50000  110.70000
   33    53    58    50.00000  109.50000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    80.00000  120.40000
   37    43    48    70.00000  116.00000
   37    45    46    37.50000  110.70000
   37    45    47    37.50000  110.70000
   37    45    51    70.00000  112.02700
   43    37    38    35.00000  109.50000
   43    48    49    35.00000  109.50000
   43    48    50    35.00000  109.50000
   43    48    53    63.00000  111.10000
   48    43    44    80.00000  120.40000
   48    53    54    37.50000  110.70000
   48    53    58    50.00000  109.50000
   50    48    49    33.00000  107.80000
   53    33    37    58.35000  112.70000
   53    48    49    37.50000  110.70000
   53    48    50    37.50000  110.70000
   53    58    59    83.00000  116.90000
   58    53    54    35.00000  109.50000
   58    59    60    83.00000  123.40000
   58    59    61    81.00000  111.40000
   59    61    62    40.00000  116.18000
   59    61    63    65.00000  117.18000
   59    61    65    65.00000  117.18000
   61    59    60    75.00000  121.36600
   61    63    64    37.50000  117.20000
   61    63    65    10.00000   60.00500
   61    63    66    60.00000  120.58800
   61    65    63    10.00000   60.00500
   61    65    68    60.00000  120.94000
   61    65    72    60.00000  120.94000
   63    61    62    37.50000  117.20000
   63    65    68    60.00000  120.94000
   63    65    72    60.00000  120.94000
   63    66    67    40.00000  117.24000
   63    66    76    55.00000  125.06700
   65    61    62    37.50000  117.20000
   65    61    63    10.00000   60.00500
   65    63    64    37.50000  117.20000
   65    68    69    45.00000  109.38400
   65    68    70    45.00000  109.38400
   65    68    71    45.00000  109.38400
   65    72    73    45.00000  109.38400
   65    72    74    45.00000  109.38400
   65    72    75    45.00000  109.38400
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   72    65    68    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   66    63    64    40.00000  112.45000
   66    63    65    60.00000  120.58800
   66    76    77    70.00000  124.00000
   66    76    81    70.00000  124.00000
   76    66    67    35.00000  120.00000
   76    77    78    35.00000  109.50000
   76    77    79    35.00000  109.50000
   76    77    80    35.00000  109.50000
   76    81    82    35.00000  109.50000
   76    81    83    35.00000  109.50000
   76    81    84    35.00000  109.50000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   81    76    77    65.00000  117.92700
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   45    37    38    37.50000  110.70000
   45    37    43    63.00000  111.10000
   45    51    52    35.00000  117.00000
   45    51    55    70.00000  124.00000
   47    45    46    33.00000  107.80000
   51    45    46    35.00000  109.50000
   51    45    47    35.00000  109.50000
   51    55    56    35.00000  120.00000
   51    55    57    35.00000  120.00000
   55    51    52    35.00000  120.00000
   57    55    56    35.00000  117.00000
   39    33    37    58.35000  112.70000
   39    33    53    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   0.21350  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    37    38   0.15000  1.0 3.0
   29    33    37    43   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    37    45   0.44750  1.0 1.0
   29    33    37    45  -0.17800 -1.0 2.0
   29    33    37    45   0.20200  1.0 3.0
   29    33    53    48   0.44750  1.0 1.0
   29    33    53    48  -0.17800 -1.0 2.0
   29    33    53    48   0.20200  1.0 3.0
   29    33    53    54   0.15000  1.0 3.0
   29    33    53    58   0.56750  1.0 1.0
   29    33    53    58  -0.07550 -1.0 2.0
   29    33    53    58   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    37    43    44   0.30150 -1.0 2.0
   33    37   -43    48   0.60050  1.0 1.0
   33    37   -43    48   0.05600 -1.0 2.0
   33    37   -43    48   0.26150  1.0 3.0
   33    37    45    46   0.15000  1.0 3.0
   33    37    45    47   0.15000  1.0 3.0
   33    37    45    51   0.34400  1.0 1.0
   33    37    45    51   0.09450 -1.0 2.0
   33    37    45    51   0.11100  1.0 3.0
   33    53    58    59  -0.25900  1.0 1.0
   33    53    58    59  -0.47000 -1.0 2.0
   33    53    58    59   0.11750  1.0 3.0
   37    33   -53    48   0.56750  1.0 1.0
   37    33   -53    48  -0.07550 -1.0 2.0
   37    33   -53    48   0.20000  1.0 3.0
   37    33    53    54   0.15000  1.0 3.0
   37    33    53    58   0.62750  1.0 1.0
   37    33    53    58  -0.30950 -1.0 2.0
   37    33    53    58   0.27300  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    43    48    49   0.00000  1.0 1.0
   37    43    48    50   0.00000  1.0 1.0
   37    43   -48    53   0.60050  1.0 1.0
   37    43   -48    53   0.05600 -1.0 2.0
   37    43   -48    53   0.26150  1.0 3.0
   37    45    51    52   0.00000  1.0 1.0
   37    45    51    55   0.09850  1.0 1.0
   37    45    51    55   0.15250 -1.0 2.0
   37    45    51    55  -0.50650  1.0 3.0
   38    37    43    44   0.00000  1.0 1.0
   38    37    43    48   0.00000  1.0 1.0
   38    37    45    46   0.15000  1.0 3.0
   38    37    45    47   0.15000  1.0 3.0
   38    37    45    51   0.15000  1.0 3.0
   43    37    45    46  -0.11250  1.0 3.0
   43    37    45    47  -0.11250  1.0 3.0
   43    37    45    51  -0.98800  1.0 1.0
   43    37    45    51   0.48800 -1.0 2.0
   43    37    45    51   0.76800  1.0 3.0
   43    48   -53    33  -0.95700  1.0 1.0
   43    48   -53    33  -0.18200 -1.0 2.0
   43    48   -53    33   0.29450  1.0 3.0
   43    48    53    54  -0.11250  1.0 3.0
   43    48    53    58  -0.09450  1.0 1.0
   43    48    53    58  -1.12950 -1.0 2.0
   43    48    53    58   0.54000  1.0 3.0
   44    43    48    49   0.00000  1.0 1.0
   44    43    48    50   0.00000  1.0 1.0
   44    43    48    53   0.30150 -1.0 2.0
   48    53    58    59  -0.25900  1.0 1.0
   48    53    58    59  -0.47000 -1.0 2.0
   48    53    58    59   0.11750  1.0 3.0
   49    48    53    33   0.15000  1.0 3.0
   49    48    53    54   0.15000  1.0 3.0
   49    48    53    58   0.23400  1.0 3.0
   50    48    53    33   0.15000  1.0 3.0
   50    48    53    54   0.15000  1.0 3.0
   50    48    53    58   0.23400  1.0 3.0
   53    33    37    38   0.15000  1.0 3.0
   53    33   -37    43  -0.95700  1.0 1.0
   53    33   -37    43  -0.18200 -1.0 2.0
   53    33   -37    43   0.29450  1.0 3.0
   53    33    37    45   0.56750  1.0 1.0
   53    33    37    45  -0.07550 -1.0 2.0
   53    33    37    45   0.20000  1.0 3.0
   53    33    39    40   0.15000  1.0 3.0
   53    33    39    41   0.15000  1.0 3.0
   53    33    39    42   0.15000  1.0 3.0
   53    58    59    60   3.00000 -1.0 2.0
   53    58    59    61   1.63150  1.0 1.0
   53    58    59    61   2.92000 -1.0 2.0
   54    53    58    59   0.08050  1.0 3.0
   58    59    61    62   0.00000  1.0 1.0
   58    59    61    63   0.36750  1.0 3.0
   58    59    61    65   0.36750  1.0 3.0
   59    61    63    64   0.15000  1.0 3.0
   59    61   -63    65  -0.95700  1.0 1.0
   59    61   -63    65  -0.18200 -1.0 2.0
   59    61   -63    65   0.29450  1.0 3.0
   59    61    63    66  -0.98800  1.0 1.0
   59    61    63    66   0.48800 -1.0 2.0
   59    61    63    66   0.76800  1.0 3.0
   59    61   -65    63  -0.95700  1.0 1.0
   59    61   -65    63  -0.18200 -1.0 2.0
   59    61   -65    63   0.29450  1.0 3.0
   59    61    65    68  -0.95700  1.0 1.0
   59    61    65    68  -0.18200 -1.0 2.0
   59    61    65    68   0.29450  1.0 3.0
   59    61    65    72  -0.95700  1.0 1.0
   59    61    65    72  -0.18200 -1.0 2.0
   59    61    65    72   0.29450  1.0 3.0
   60    59    61    62   0.50000  1.0 3.0
   60    59    61    63   0.30150 -1.0 2.0
   60    59    61    65   0.30150 -1.0 2.0
   61    63   -65    68   0.07850  1.0 1.0
   61    63   -65    68  -0.03950 -1.0 2.0
   61    63   -65    68   0.67350  1.0 3.0
   61    63   -65    72   0.07850  1.0 1.0
   61    63   -65    72  -0.03950 -1.0 2.0
   61    63   -65    72   0.67350  1.0 3.0
   61    63    66    67   0.00000  1.0 1.0
   61    63    66    76   0.09850  1.0 1.0
   61    63    66    76   0.15250 -1.0 2.0
   61    63    66    76  -0.50650  1.0 3.0
   61    65    68    69   0.15000  1.0 3.0
   61    65    68    70   0.15000  1.0 3.0
   61    65    68    71   0.15000  1.0 3.0
   61    65    72    73   0.15000  1.0 3.0
   61    65    72    74   0.15000  1.0 3.0
   61    65    72    75   0.15000  1.0 3.0
   62    61    63    64   0.15000  1.0 3.0
   62    61   -63    65   0.15000  1.0 3.0
   62    61    63    66   0.15000  1.0 3.0
   62    61   -65    63   0.15000  1.0 3.0
   62    61    65    68   0.15000  1.0 3.0
   62    61    65    72   0.15000  1.0 3.0
   63    61   -65    68   0.07850  1.0 1.0
   63    61   -65    68  -0.03950 -1.0 2.0
   63    61   -65    68   0.67350  1.0 3.0
   63    61   -65    72   0.07850  1.0 1.0
   63    61   -65    72  -0.03950 -1.0 2.0
   63    61   -65    72   0.67350  1.0 3.0
   63    65    68    69   0.15000  1.0 3.0
   63    65    68    70   0.15000  1.0 3.0
   63    65    68    71   0.15000  1.0 3.0
   63    65    72    73   0.15000  1.0 3.0
   63    65    72    74   0.15000  1.0 3.0
   63    65    72    75   0.15000  1.0 3.0
   63    66    76    77   7.00000 -1.0 2.0
   63    66    76    81   7.00000 -1.0 2.0
   64    63   -65    61   0.15000  1.0 3.0
   64    63    65    68   0.15000  1.0 3.0
   64    63    65    72   0.15000  1.0 3.0
   64    63    66    67   0.33100  1.0 3.0
   64    63    66    76   0.00000  1.0 1.0
   65    61   -63    64   0.15000  1.0 3.0
   65    61   -63    66   0.34400  1.0 1.0
   65    61   -63    66   0.09450 -1.0 2.0
   65    61   -63    66   0.11100  1.0 3.0
   65    63    66    67   0.00000  1.0 1.0
   65    63    66    76   0.09850  1.0 1.0
   65    63    66    76   0.15250 -1.0 2.0
   65    63    66    76  -0.50650  1.0 3.0
   68    65    72    73   0.15000  1.0 3.0
   68    65    72    74   0.15000  1.0 3.0
   68    65    72    75   0.15000  1.0 3.0
   72    65    68    69   0.15000  1.0 3.0
   72    65    68    70   0.15000  1.0 3.0
   72    65    68    71   0.15000  1.0 3.0
   66    63   -65    61   0.34400  1.0 1.0
   66    63   -65    61   0.09450 -1.0 2.0
   66    63   -65    61   0.11100  1.0 3.0
   66    63    65    68   0.34400  1.0 1.0
   66    63    65    68   0.09450 -1.0 2.0
   66    63    65    68   0.11100  1.0 3.0
   66    63    65    72   0.34400  1.0 1.0
   66    63    65    72   0.09450 -1.0 2.0
   66    63    65    72   0.11100  1.0 3.0
   66    76    77    78   0.00000  1.0 1.0
   66    76    77    79   0.00000  1.0 1.0
   66    76    77    80   0.00000  1.0 1.0
   66    76    81    82   0.00000  1.0 1.0
   66    76    81    83   0.00000  1.0 1.0
   66    76    81    84   0.00000  1.0 1.0
   67    66    76    77   7.00000 -1.0 2.0
   67    66    76    81   7.00000 -1.0 2.0
   77    76    81    82   0.34800  1.0 3.0
   77    76    81    83   0.34800  1.0 3.0
   77    76    81    84   0.34800  1.0 3.0
   81    76    77    78   0.34800  1.0 3.0
   81    76    77    79   0.34800  1.0 3.0
   81    76    77    80   0.34800  1.0 3.0
   45    37    43    44   0.30150 -1.0 2.0
   45    37    43    48   0.60050  1.0 1.0
   45    37    43    48   0.05600 -1.0 2.0
   45    37    43    48   0.26150  1.0 3.0
   45    51    55    56   7.00000 -1.0 2.0
   45    51    55    57   7.00000 -1.0 2.0
   46    45    51    52   0.33100  1.0 3.0
   46    45    51    55   0.00000  1.0 1.0
   47    45    51    52   0.33100  1.0 3.0
   47    45    51    55   0.00000  1.0 1.0
   52    51    55    56   7.00000 -1.0 2.0
   52    51    55    57   7.00000 -1.0 2.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    43  -0.95700  1.0 1.0
   39    33    37    43  -0.18200 -1.0 2.0
   39    33    37    43   0.29450  1.0 3.0
   39    33    37    45   0.56750  1.0 1.0
   39    33    37    45  -0.07550 -1.0 2.0
   39    33    37    45   0.20000  1.0 3.0
   39    33    53    48   0.56750  1.0 1.0
   39    33    53    48  -0.07550 -1.0 2.0
   39    33    53    48   0.20000  1.0 3.0
   39    33    53    54   0.15000  1.0 3.0
   39    33    53    58   0.62750  1.0 1.0
   39    33    53    58  -0.30950 -1.0 2.0
   39    33    53    58   0.27300  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
   36    30    34    35  10.50000 -1.0 2.0
   37    48    43    44  10.50000 -1.0 2.0
   58    61    59    60  10.50000 -1.0 2.0
   63    67    66    76  15.00000 -1.0 2.0
   77    81    76    66  15.00000 -1.0 2.0
   45    52    51    55  15.00000 -1.0 2.0
   56    57    55    51  15.00000 -1.0 2.0
END
