* LIGAND DATABASE FILE (OPLS2005)
*
001      88    91    165    257     480
    1     0 S   NP   _N1_     1    28.95645    94.91786   -24.62406
    2     1 S   H    _HN1     2     1.02834    28.45654  -177.09465
    3     1 S   H    _H1_     3     1.02782   111.32255   -88.75043
    4     1 S   H    _H2_     4     1.02951    79.45469    16.99110
    5     1 S   CT   _CA1     5     1.50105   128.73994   124.78377
    6     5 S   HC   _HA1     6     1.09570   105.22379    84.87024
    7     5 S   CO3  _C1_     7     1.53796   112.42152   -35.42140
    8     7 S   O2Z  _O11     8     1.26371   114.99937   -43.23383
    9     7 S   O2Z  _O12     9     1.26235   114.94850   135.94953
   10     5 S   CT   _CB1    10     1.53087   107.44879  -157.10676
   11    10 S   HC   HB11    11     1.09829   109.43701   -49.63491
   12    10 S   HC   HB12    12     1.09818   110.42497    66.98692
   13    10 S   CT   _CG1    13     1.52992   112.57906  -170.61913
   14    13 S   HC   HG11    14     1.09585   110.58280   -64.10518
   15    13 S   HC   HG12    15     1.09662   109.86029    55.14114
   16    13 S   C    _CD1    16     1.51768   112.25789   175.62986
   17    16 S   O    _OE1    17     1.22736   123.26902     4.28811
   18    16 S   N    _N2_    18     1.38640   111.64902  -175.99841
   19    18 S   H    _HN2    19     1.01581   119.06420     1.42106
   20    18 S   CT1  _CA2    20     1.46112   123.26454   178.92954
   21    20 S   HC   _HA2    21     1.09450   109.02030    -4.87978
   22    20 S   C    _C2_    22     1.53394   108.42048  -119.66291
   23    22 S   O    _O2_    23     1.23017   122.47143  -146.10316
   24    20 S   CT   _CB2    32     1.53264   111.74661   117.71482
   25    24 S   HC   HB21    33     1.09673   109.37290    60.70541
   26    24 S   HC   HB22    34     1.09453   111.30097   177.63653
   27    22 S   N    _N3_    24     1.38380   113.41583    41.38878
   28    27 S   H    _HN3    25     1.01620   119.52092    -3.59379
   29    24 S   S    _SG2    35     1.82936   114.26568   -58.27238
   30    27 S   CT   _CA3    26     1.45265   123.11931   176.77439
   31    30 S   HC   HA31    27     1.09554   107.52346   -63.65557
   32    30 S   HC   HA32    28     1.09557   107.95123    52.75572
   33    29 S   CT   _C25    36     1.84392   100.92189   -69.95131
   34    33 S   HC   _H3_    37     1.09158   107.51767    50.98883
   35    30 S   CO3  _C3_    29     1.52933   114.12052   174.73419
   36    35 S   O2Z  _O31    30     1.26371   116.06621    -1.02774
   37    35 S   O2Z  _O32    31     1.26429   114.41020   179.03612
   38    33 S   CM   _C14    38     1.53988   110.74218   -71.77636
   39    33 S   OS   _O27    84     1.43801   110.57371   168.33289
   40    38 S   CMA  _C15    39     1.37155   121.83888   113.25795
   41    40 S   OM   _O25    40     1.26885   125.79309   179.29640
   42    38 S   CT   _C22    46     1.55274   114.04417   -67.51540
   43    42 S   HC   _H46    47     1.09914   106.93242    -2.38064
   44    39 S   CT   _C24    85     1.42142   113.07053   -92.56264
   45    44 S   HC   _H50    86     1.09327   108.22826   178.49976
   46    44 S   HC   _H51    87     1.09386   110.86544    59.56727
   47    44 S   HC   _H52    88     1.09428   110.42414   -62.94190
   48    40 S   OS   _O26    41     1.41993   111.62571     0.18767
   49    42 S   CT   _C17    48     1.54182   112.09295   113.62478
   50    49 S   HC   _H38    49     1.09740   109.76794    66.36211
   51    49 S   HC   _H39    50     1.09603   110.61063   -49.79799
   52    42 S   CT   _C21    77     1.55275   116.36366  -120.35248
   53    52 S   HC   _H45    78     1.09739   109.81746   -66.76413
   54    48 S   CT   _C23    42     1.42749   114.99611  -148.31537
   55    54 S   HC   _H47    43     1.09407   107.73265   171.42753
   56    54 S   HC   _H48    44     1.09520   111.14055    53.31811
   57    54 S   HC   _H49    45     1.09471   110.97365   -70.65870
   58    49 S   CT   _C20    51     1.53510   112.59865  -174.01594
   59    58 S   HC   _H44    52     1.09968   106.21678  -169.07494
   60    52 S   CM   _C13    79     1.51228   112.14440    54.91761
   61    60 S   HC   _H35    80     1.08749   117.47742    60.36121
   62    58 S   C5A  _C11    53     1.50182   114.60386    74.19918
   63    60 S   CM   _C12    81     1.33813   123.99034  -119.35861
   64    63 S   HC   _H33    82     1.08432   120.52771   179.65622
   65    63 S   HC   _H34    83     1.08462   121.43956     0.26467
   66    62 S   C5B  _C9_    54     1.38015   124.92238  -149.16072
   67    62 S   NA   _N23    65     1.36626   126.83572    33.41090
   68    67 S   H    _H54    66     1.01076   125.66833    -1.98071
   69    66 S   C56B _C8_    55     1.42096   107.70073  -178.89571
   70    66 S   CT   _C16    67     1.49075   121.37119     2.75236
   71    70 S   HC   _H36    68     1.09650   108.92224   110.36546
   72    70 S   HC   _H37    69     1.09578   110.28745  -131.92324
   73    69 S   CA   _C6_    56     1.40914   134.45715  -179.15327
   74    73 S   HA   _H31    57     1.08613   120.72337    -0.24228
   75    70 S   CT   _C18    70     1.55046   110.99114   -10.52959
   76    75 S   HC   _H40    71     1.09708   109.45093   163.91548
   77    75 S   HC   _H41    72     1.09868   108.64336   -81.65248
   78    73 S   CA   _C4_    58     1.39957   119.26812   179.68847
   79    78 S   HA   _H29    59     1.08686   119.52162  -179.97202
   80    58 S   NT   _N24    73     1.48860   111.85037   -52.81816
   81    78 S   CA   _C5_    60     1.39334   120.76962    -0.05595
   82    81 S   HA   _H30    61     1.08716   119.56350  -179.92087
   83    80 S   CT   _C19    74     1.47325   113.64517    50.94963
   84    83 S   HC   _H42    75     1.09833   108.44111  -174.09485
   85    83 S   HC   _H43    76     1.09781   111.22977    69.18862
   86    81 S   CA   _C7_    62     1.39775   121.04429     0.03426
   87    86 S   HA   _H32    63     1.08496   120.95196  -179.87805
   88    69 S   C56A _C10    64     1.39879   106.82646     0.51776
  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
  14   5   2   1   1  16   6  10   3  17   8   3   2   1   1   4
  13   6   5  12   7   3   2   1   1  15   6   8   4  13   3   1
   1  15   9   3  12   9   5   4   7   4   6   3   2   6   3   3
   4   3   2   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    40    42    39    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    48    42    43    49    52    39    44    45    46    47  
   38    40    42    39    44  
   36    37  
   37  
    0  
   40    41    48    54    42    43    49    50    51    58    83    52    53    60    39    44  
   44    45    46    47    40    42  
   41    48    54    55    56    57    42    43    49    52  
   48    54    42  
   43    49    50    51    58    59    62    80    83    84    85    52    53    60    61    63    48  
   49    50    51    58    83    52    53    60  
   45    46    47  
   46    47  
   47  
    0  
   54    55    56    57  
   50    51    58    59    62    66    67    75    80    83    52    53    60  
   51    58    59    62    80    52  
   58    59    62    80    52  
   53    60    61    63    64    65    58    75    80    83    84    85  
   60    61    63    80    83    84    85  
   55    56    57  
   56    57  
   57  
    0  
   59    62    66    69    88    67    68    70    75    76    77    80    83    84    85  
   62    66    67    75    80    83  
   61    63    64    65    80    83    84    85  
   63    64    65    83  
   66    69    73    86    88    67    68    70    71    72    75    80    83  
   64    65    83  
   65  
    0  
   69    73    74    78    86    88    67    68    70    71    72    75    76    77    80  
   68    70    80    69    73    81    86    87    88  
   69    86    88  
   73    74    78    79    81    86    87    88    70    71    72    75  
   71    72    75    76    77    80    83    73    88  
   72    75    76    77    80  
   75    76    77    80  
   74    78    79    81    82    86    88  
   78    79    81    88  
   76    77    80    83    84    85  
   77    80    83  
   80    83  
   79    81    82    86    87    88  
   81    82    86  
   83    84    85  
   82    86    87    88  
   86    87    88  
   84    85  
   85  
    0  
   87    88  
   88  
    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  -0.316400   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   0.387900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700  -0.029300   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   67   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   68   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5000   0.0660  -0.064100   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   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   75   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   79   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   80   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   81   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   82   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   83   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   87   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   88   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   320.000  1.410
   38    40   465.000  1.376
   38    42   317.000  1.510
   40    41   745.000  1.250
   40    48   440.000  1.360
   48    54   320.000  1.410
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   42    43   340.000  1.090
   42    49   268.000  1.529
   42    52   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    58   268.000  1.529
   58    59   340.000  1.090
   58    62   295.000  1.489
   58    80   382.000  1.448
   62    66   520.000  1.370
   62    67   427.000  1.381
   66    69   380.000  1.440
   66    70   295.000  1.494
   69    73   469.000  1.404
   69    88   447.000  1.419
   73    74   367.000  1.080
   73    78   469.000  1.400
   78    79   367.000  1.080
   78    81   469.000  1.400
   81    82   367.000  1.080
   81    86   469.000  1.400
   86    87   367.000  1.080
   86    88   469.000  1.400
   88    67   428.000  1.380
   67    68   434.000  1.010
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    75   268.000  1.529
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    80   382.000  1.448
   80    83   382.000  1.448
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    52   268.000  1.529
   52    53   340.000  1.090
   52    60   317.000  1.510
   60    61   340.000  1.080
   60    63   549.000  1.340
   63    64   340.000  1.080
   63    65   340.000  1.080
   39    44   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    39    85.00000  114.68000
   33    38    40    70.00000  124.00000
   33    38    42    65.00000  117.92700
   33    39    44    60.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    48    80.00000  120.01400
   38    42    43    35.00000  109.50000
   38    42    49    70.00000  112.02700
   38    42    52    70.00000  112.02700
   40    48    54    90.00000  111.18400
   48    40    41    65.00000  121.00000
   48    54    55    35.00000  109.50000
   48    54    56    35.00000  109.50000
   48    54    57    35.00000  109.50000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   42    38    40    70.00000  124.00000
   42    49    50    37.50000  110.70000
   42    49    51    37.50000  110.70000
   42    49    58    58.35000  112.70000
   42    52    83    58.35000  112.70000
   42    52    53    37.50000  110.70000
   42    52    60    70.00000  112.02700
   49    42    43    37.50000  110.70000
   49    58    59    37.50000  110.70000
   49    58    62    70.00000  113.44400
   49    58    80    56.20000  109.47000
   51    49    50    33.00000  107.80000
   58    49    50    37.50000  110.70000
   58    49    51    37.50000  110.70000
   58    62    66    55.00000  130.44200
   58    62    67    65.00000  122.56900
   58    80    75    51.80000  107.20000
   58    80    83    51.80000  107.20000
   62    58    59    45.00000  110.47400
   62    66    69    80.00000  105.82900
   62    66    70    55.00000  127.77900
   62    67    88    90.00000  107.14200
   62    67    68    35.00000  120.00000
   66    69    73    50.00000  134.85500
   66    69    88    80.00000  107.43600
   66    70    71    45.00000  111.11700
   66    70    72    45.00000  111.11700
   66    70    75    70.00000  112.62400
   69    73    74    35.00000  120.00000
   69    73    78    63.00000  120.00000
   69    88    86    85.00000  122.70000
   69    88    67    70.00000  104.40000
   73    78    79    35.00000  120.00000
   73    78    81    63.00000  120.00000
   78    73    74    35.00000  120.00000
   78    81    82    35.00000  120.00000
   78    81    86    63.00000  120.00000
   81    78    79    35.00000  120.00000
   81    86    87    35.00000  120.00000
   81    86    88    85.00000  120.00000
   86    81    82    35.00000  120.00000
   86    88    67    70.00000  132.80000
   88    69    73    85.00000  116.20000
   88    86    87    35.00000  120.00000
   88    67    68    35.00000  123.10000
   67    62    66    70.00000  106.30000
   70    66    69    55.00000  128.73000
   70    75    76    37.50000  110.70000
   70    75    77    37.50000  110.70000
   70    75    80    56.20000  109.47000
   72    70    71    33.00000  107.80000
   75    70    71    37.50000  110.70000
   75    70    72    37.50000  110.70000
   75    80    83    51.80000  107.20000
   77    75    76    33.00000  107.80000
   80    58    59    35.00000  109.50000
   80    58    62    75.00000  112.58000
   80    75    76    35.00000  109.50000
   80    75    77    35.00000  109.50000
   80    83    84    35.00000  109.50000
   80    83    85    35.00000  109.50000
   80    83    52    56.20000  109.47000
   83    52    53    37.50000  110.70000
   83    52    60    70.00000  112.02700
   85    83    84    33.00000  107.80000
   52    42    43    37.50000  110.70000
   52    42    49    58.35000  112.70000
   52    83    84    37.50000  110.70000
   52    83    85    37.50000  110.70000
   52    60    61    35.00000  117.00000
   52    60    63    70.00000  124.00000
   60    52    53    35.00000  109.50000
   60    63    64    35.00000  120.00000
   60    63    65    35.00000  120.00000
   63    60    61    35.00000  120.00000
   65    63    64    35.00000  117.00000
   39    33    34    35.00000  109.50000
   39    33    38    85.00000  110.90400
   39    44    45    35.00000  109.50000
   39    44    46    35.00000  109.50000
   39    44    47    35.00000  109.50000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    38    42   0.30250  1.0 1.0
   29    33    38    42  -0.14950 -1.0 2.0
   29    33    38    42   0.36900  1.0 3.0
   29    33    39    44   0.14700  1.0 1.0
   29    33    39    44  -1.16150 -1.0 2.0
   29    33    39    44   0.48700  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    48   7.00000 -1.0 2.0
   33    38    42    43   0.34800  1.0 3.0
   33    38    42    49   0.46850  1.0 1.0
   33    38    42    49   0.08550 -1.0 2.0
   33    38    42    49   0.09800  1.0 3.0
   33    38    42    52   0.46850  1.0 1.0
   33    38    42    52   0.08550 -1.0 2.0
   33    38    42    52   0.09800  1.0 3.0
   33    39    44    45   0.37050  1.0 3.0
   33    39    44    46   0.37050  1.0 3.0
   33    39    44    47   0.37050  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    38    42   0.34800  1.0 3.0
   34    33    39    44   0.37050  1.0 3.0
   38    33    39    44  -0.77900  1.0 1.0
   38    33    39    44  -0.36900 -1.0 2.0
   38    33    39    44   0.40400  1.0 3.0
   38    40    48    54  -2.26850  1.0 1.0
   38    40    48    54   3.39050 -1.0 2.0
   38    42    49    50   0.15000  1.0 3.0
   38    42    49    51   0.15000  1.0 3.0
   38    42    49    58   0.34400  1.0 1.0
   38    42    49    58   0.09450 -1.0 2.0
   38    42    49    58   0.11100  1.0 3.0
   38    42    52    83   0.34400  1.0 1.0
   38    42    52    83   0.09450 -1.0 2.0
   38    42    52    83   0.11100  1.0 3.0
   38    42    52    53   0.15000  1.0 3.0
   38    42    52    60   0.31000  1.0 1.0
   38    42    52    60   0.14700 -1.0 2.0
   38    42    52    60   0.07550  1.0 3.0
   40    38    42    43   0.00000  1.0 1.0
   40    38    42    49   0.09850  1.0 1.0
   40    38    42    49   0.15250 -1.0 2.0
   40    38    42    49  -0.50650  1.0 3.0
   40    38    42    52   0.09850  1.0 1.0
   40    38    42    52   0.15250 -1.0 2.0
   40    38    42    52  -0.50650  1.0 3.0
   40    48    54    55   0.08050  1.0 3.0
   40    48    54    56   0.08050  1.0 3.0
   40    48    54    57   0.08050  1.0 3.0
   41    40    48    54   2.00000 -1.0 2.0
   42    38    40    41   7.00000 -1.0 2.0
   42    38    40    48   7.00000 -1.0 2.0
   42    49    58    59   0.15000  1.0 3.0
   42    49    58    62  -0.03700  1.0 1.0
   42    49    58    62   0.37200 -1.0 2.0
   42    49    58    62  -0.47300  1.0 3.0
   42    49    58    80   1.53400  1.0 1.0
   42    49    58    80  -0.09950 -1.0 2.0
   42    49    58    80   0.05700  1.0 3.0
   42    52    60    61   0.00000  1.0 1.0
   42    52    60    63   0.09850  1.0 1.0
   42    52    60    63   0.15250 -1.0 2.0
   42    52    60    63  -0.50650  1.0 3.0
   43    42    49    50   0.15000  1.0 3.0
   43    42    49    51   0.15000  1.0 3.0
   43    42    49    58   0.15000  1.0 3.0
   43    42    52    83   0.15000  1.0 3.0
   43    42    52    53   0.15000  1.0 3.0
   43    42    52    60   0.15000  1.0 3.0
   49    42    52    83   0.56750  1.0 1.0
   49    42    52    83  -0.07550 -1.0 2.0
   49    42    52    83   0.20000  1.0 3.0
   49    42    52    53   0.15000  1.0 3.0
   49    42    52    60   0.34400  1.0 1.0
   49    42    52    60   0.09450 -1.0 2.0
   49    42    52    60   0.11100  1.0 3.0
   49    58    62    66   0.04150 -1.0 2.0
   49    58    62    67   0.39850  1.0 1.0
   49    58    62    67   0.06450 -1.0 2.0
   49    58    62    67   0.32400  1.0 3.0
   49    58    80    75   0.23450  1.0 1.0
   49    58    80    75   0.02050 -1.0 2.0
   49    58    80    75   0.25250  1.0 3.0
   49    58   -80    83   0.23450  1.0 1.0
   49    58   -80    83   0.02050 -1.0 2.0
   49    58   -80    83   0.25250  1.0 3.0
   50    49    58    59   0.15000  1.0 3.0
   50    49    58    62   0.43200  1.0 3.0
   50    49    58    80   0.15000  1.0 3.0
   51    49    58    59   0.15000  1.0 3.0
   51    49    58    62   0.43200  1.0 3.0
   51    49    58    80   0.15000  1.0 3.0
   58    62    66    69   3.62500 -1.0 2.0
   58    62    66    70   3.62500 -1.0 2.0
   58    62    67    88   3.62500 -1.0 2.0
   58    62    67    68   2.00000 -1.0 2.0
   58    80    83    84   0.28000  1.0 3.0
   58    80    83    85   0.28000  1.0 3.0
   58    80    83    52   0.23450  1.0 1.0
   58    80    83    52   0.02050 -1.0 2.0
   58    80    83    52   0.25250  1.0 3.0
   59    58    62    66   0.00000  1.0 1.0
   59    58    62    67   0.00000  1.0 1.0
   59    58    80    75   0.28000  1.0 3.0
   59    58    80    83   0.28000  1.0 3.0
   62    58    80    75   0.82600  1.0 1.0
   62    58    80    75  -0.32100 -1.0 2.0
   62    58    80    75   1.02000  1.0 3.0
   62    58    80    83   0.82600  1.0 1.0
   62    58    80    83  -0.32100 -1.0 2.0
   62    58    80    83   1.02000  1.0 3.0
   62    66    69    73   3.62500 -1.0 2.0
   62    66   -69    88   3.50000 -1.0 2.0
   62    66    70    71   0.00000  1.0 1.0
   62    66    70    72   0.00000  1.0 1.0
   62    66   -70    75   0.04150 -1.0 2.0
   66    62   -67    88   3.62500 -1.0 2.0
   66    62    67    68   1.40000 -1.0 2.0
   66    69    73    74   3.62500 -1.0 2.0
   66    69    73    78   3.62500 -1.0 2.0
   66    69    88    86   3.00000 -1.0 2.0
   66    69   -88    67   3.00000 -1.0 2.0
   66    70    75    76   0.43200  1.0 3.0
   66    70    75    77   0.43200  1.0 3.0
   66    70    75    80   0.83750  1.0 1.0
   66    70    75    80   0.32200 -1.0 2.0
   66    70    75    80   0.70600  1.0 3.0
   69    66    70    71   0.00000  1.0 1.0
   69    66    70    72   0.00000  1.0 1.0
   69    66    70    75   0.04150 -1.0 2.0
   69    73    78    79   3.62500 -1.0 2.0
   69    73    78    81   3.62500 -1.0 2.0
   69    88   -67    62   3.62500 -1.0 2.0
   69    88    67    68   1.52500 -1.0 2.0
   73    69    88    86   3.00000 -1.0 2.0
   73    69    88    67   3.00000 -1.0 2.0
   73    78    81    82   3.62500 -1.0 2.0
   73    78   -81    86   3.62500 -1.0 2.0
   74    73    78    79   3.62500 -1.0 2.0
   74    73    78    81   3.62500 -1.0 2.0
   78    81    86    87   3.62500 -1.0 2.0
   78    81    86    88   3.62500 -1.0 2.0
   79    78    81    82   3.62500 -1.0 2.0
   79    78    81    86   3.62500 -1.0 2.0
   81    86   -88    69   3.62500 -1.0 2.0
   81    86    88    67   3.62500 -1.0 2.0
   82    81    86    87   3.62500 -1.0 2.0
   82    81    86    88   3.62500 -1.0 2.0
   86    88    67    62   3.62500 -1.0 2.0
   86    88    67    68   1.52500 -1.0 2.0
   87    86    88    69   3.62500 -1.0 2.0
   87    86    88    67   3.62500 -1.0 2.0
   88    69    73    74   3.50000 -1.0 2.0
   88    69   -73    78   3.50000 -1.0 2.0
   67    62   -66    69   3.62500 -1.0 2.0
   67    62    66    70   3.62500 -1.0 2.0
   70    66    69    73   3.62500 -1.0 2.0
   70    66    69    88   3.62500 -1.0 2.0
   70    75   -80    58   0.23450  1.0 1.0
   70    75   -80    58   0.02050 -1.0 2.0
   70    75   -80    58   0.25250  1.0 3.0
   70    75    80    83   0.23450  1.0 1.0
   70    75    80    83   0.02050 -1.0 2.0
   70    75    80    83   0.25250  1.0 3.0
   71    70    75    76   0.15000  1.0 3.0
   71    70    75    77   0.15000  1.0 3.0
   71    70    75    80   0.15000  1.0 3.0
   72    70    75    76   0.15000  1.0 3.0
   72    70    75    77   0.15000  1.0 3.0
   72    70    75    80   0.15000  1.0 3.0
   75    80    83    84   0.28000  1.0 3.0
   75    80    83    85   0.28000  1.0 3.0
   75    80    83    52   0.23450  1.0 1.0
   75    80    83    52   0.02050 -1.0 2.0
   75    80    83    52   0.25250  1.0 3.0
   76    75    80    58   0.28000  1.0 3.0
   76    75    80    83   0.28000  1.0 3.0
   77    75    80    58   0.28000  1.0 3.0
   77    75    80    83   0.28000  1.0 3.0
   80    58   -62    66   0.18550 -1.0 2.0
   80    58   -62    66   0.14000  1.0 3.0
   80    58    62    67   0.04300 -1.0 2.0
   80    83   -52    42   1.53400  1.0 1.0
   80    83   -52    42  -0.09950 -1.0 2.0
   80    83   -52    42   0.05700  1.0 3.0
   80    83    52    53   0.15000  1.0 3.0
   80    83    52    60   0.59950  1.0 1.0
   80    83    52    60  -0.21400 -1.0 2.0
   80    83    52    60   0.56200  1.0 3.0
   83    52    60    61   0.00000  1.0 1.0
   83    52    60    63   0.09850  1.0 1.0
   83    52    60    63   0.15250 -1.0 2.0
   83    52    60    63  -0.50650  1.0 3.0
   84    83    52    42   0.15000  1.0 3.0
   84    83    52    53   0.15000  1.0 3.0
   84    83    52    60   0.15000  1.0 3.0
   85    83    52    42   0.15000  1.0 3.0
   85    83    52    53   0.15000  1.0 3.0
   85    83    52    60   0.15000  1.0 3.0
   52    42    49    50   0.15000  1.0 3.0
   52    42    49    51   0.15000  1.0 3.0
   52    42   -49    58   0.56750  1.0 1.0
   52    42   -49    58  -0.07550 -1.0 2.0
   52    42   -49    58   0.20000  1.0 3.0
   52    60    63    64   7.00000 -1.0 2.0
   52    60    63    65   7.00000 -1.0 2.0
   53    52    60    61   0.33100  1.0 3.0
   53    52    60    63   0.00000  1.0 1.0
   61    60    63    64   7.00000 -1.0 2.0
   61    60    63    65   7.00000 -1.0 2.0
   39    33    38    40   0.39000  1.0 1.0
   39    33    38    40  -0.05800 -1.0 2.0
   39    33    38    40  -0.55150  1.0 3.0
   39    33    38    42   0.09700  1.0 1.0
   39    33    38    42   0.15600 -1.0 2.0
   39    33    38    42  -0.50800  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    42    38    40  15.00000 -1.0 2.0
   41    48    40    38  15.00000 -1.0 2.0
   66    67    62    58   4.00000 -1.0 2.0
   69    70    66    62   4.00000 -1.0 2.0
   73    88    69    66   4.00000 -1.0 2.0
   78    74    73    69   1.10000 -1.0 2.0
   81    79    78    73   1.10000 -1.0 2.0
   86    82    81    78   1.10000 -1.0 2.0
   88    87    86    81   1.10000 -1.0 2.0
   86    67    88    69   4.00000 -1.0 2.0
   68    62    67    88   1.00000 -1.0 2.0
   52    61    60    63  15.00000 -1.0 2.0
   64    65    63    60  15.00000 -1.0 2.0
END
