* LIGAND DATABASE FILE (OPLS2005)
*
001      81    84    163    269     492
    1     0 S   NP   _N1_     1    28.69863    96.57001   -23.77955
    2     1 S   H    _HN1     2     1.02787   108.47610   -95.15240
    3     1 S   H    _H1_     3     1.02949    70.94265     8.50780
    4     1 S   H    _H2_     4     1.02828    38.11664   169.17171
    5     1 S   CT   _CA1     5     1.50118   135.85814   108.49900
    6     5 S   HC   _HA1     6     1.09574   105.17880    94.38391
    7     5 S   CO3  _C1_     7     1.53778   112.48716   -25.82800
    8     7 S   O2Z  _O11     8     1.26373   115.00211   -41.94196
    9     7 S   O2Z  _O12     9     1.26241   114.94725   137.15383
   10     5 S   CT   _CB1    10     1.53074   107.41452  -147.63667
   11    10 S   HC   HB11    11     1.09836   109.34061   -49.62087
   12    10 S   HC   HB12    12     1.09812   110.46038    66.98065
   13    10 S   CT   _CG1    13     1.52999   112.62485  -170.58925
   14    13 S   HC   HG11    14     1.09576   110.66538   -66.56947
   15    13 S   HC   HG12    15     1.09672   109.74765    52.66667
   16    13 S   C    _CD1    16     1.51807   112.16242   173.11701
   17    16 S   O    _OE1    17     1.22737   123.26121     8.96432
   18    16 S   N    _N2_    18     1.38664   111.72167  -171.08844
   19    18 S   H    _HN2    19     1.01577   118.92139     1.55053
   20    18 S   CT1  _CA2    20     1.46191   123.37034   176.80359
   21    20 S   HC   _HA2    21     1.09736   109.34976     4.56952
   22    20 S   C    _C2_    22     1.53601   108.64612  -110.90851
   23    22 S   O    _O2_    23     1.23067   122.25488  -147.84297
   24    20 S   CT   _CB2    32     1.53315   111.65606   126.61358
   25    24 S   HC   HB21    33     1.09597   110.20347    56.15952
   26    24 S   HC   HB22    34     1.09482   110.01206   175.23108
   27    22 S   N    _N3_    24     1.38317   113.76203    39.58271
   28    27 S   H    _HN3    25     1.01570   119.61239    -3.18776
   29    24 S   S    _SG2    35     1.82658   111.66119   -64.78648
   30    27 S   CT   _CA3    26     1.45288   123.24882   177.19746
   31    30 S   HC   HA31    27     1.09548   107.50084   -64.94405
   32    30 S   HC   HA32    28     1.09556   108.00420    51.50770
   33    29 S   CT   _C20    36     1.81049    99.21286   175.65156
   34    33 S   HC   _H6_    37     1.09551   111.14557   -59.13965
   35    30 S   CO3  _C3_    29     1.52971   114.05515   173.51173
   36    35 S   O2Z  _O31    30     1.26381   116.06735    -0.68185
   37    35 S   O2Z  _O32    31     1.26427   114.41410   179.38071
   38    33 S   CO4  _C21    38     1.52632   110.29615  -178.45630
   39    38 S   O    _O34    39     1.22481   124.75390    56.24356
   40    33 S   CT   _C19    75     1.54155   113.53829    66.78859
   41    40 S   HC   _H23    76     1.09514   110.82059   -93.39675
   42    40 S   HC   _H24    77     1.09597   113.10464    27.73483
   43    38 S   CT   _C17    40     1.52044   111.20382  -122.98583
   44    43 S   CT   _C16    41     1.52545   116.38132  -139.50865
   45    44 S   HC   _H21    42     1.09789   110.23242    46.49254
   46    44 S   HC   _H22    43     1.09687   110.71062   -70.31209
   47    43 S   CT   _C22    78     1.53987   106.72513    95.62978
   48    47 S   HC   _H25    79     1.09312   112.88900  -171.04838
   49    47 S   HC   _H26    80     1.09681   110.17236    69.04629
   50    47 S   HC   _H27    81     1.09487   112.52656   -49.42117
   51    44 S   CT   _C15    44     1.54003   111.02573   167.68423
   52    51 S   HC   _H19    45     1.09460   108.62503    71.30063
   53    51 S   HC   _H20    46     1.09560   107.62282  -173.98454
   54    51 S   CT   _C14    47     1.55541   113.94178   -51.81617
   55    54 S   HC   _H4_    48     1.10258   105.21629   -66.22097
   56    54 S   CT   _C13    49     1.56297   112.10484    48.12413
   57    56 S   HC   _H3_    50     1.09549   109.85153    67.93226
   58    56 S   CT   _C12    51     1.53308   110.06096  -173.66627
   59    58 S   HC   _H17    52     1.09617   110.15411  -178.32089
   60    58 S   HC   _H18    53     1.09772   110.17874    64.01460
   61    43 S   CT   _C18    73     1.54158    98.55761   -24.86634
   62    61 S   HC   _H5_    74     1.10409   108.56654   -69.46224
   63    58 S   CT   _C11    54     1.52339   111.18081   -57.83073
   64    63 S   HC   _H15    55     1.09706   109.51164   -66.04229
   65    63 S   HC   _H16    56     1.09700   108.61430   178.37189
   66    63 S   CM   _C10    57     1.51073   112.17243    54.95874
   67    66 S   CM   _C9_    58     1.34387   119.35701   130.08108
   68    67 S   HC   _H14    59     1.08483   122.07326    -2.02400
   69    67 S   CO4  _C8_    60     1.48070   121.48625   174.38249
   70    69 S   O    _O33    61     1.22919   119.80728   177.79087
   71    69 S   CT   _C7_    62     1.50549   118.13515    -6.04403
   72    71 S   HC   _H12    63     1.09567   108.49604   154.62737
   73    71 S   HC   _H13    64     1.09445   108.77349   -87.97281
   74    71 S   CT   _C6_    65     1.52085   110.39344    35.10749
   75    74 S   HC   _H10    66     1.09914   107.91551    66.46108
   76    74 S   HC   _H11    67     1.09658   108.44692  -178.65404
   77    54 S   CT   _C5_    68     1.57718   113.95871   177.78680
   78    77 S   CT   _C4_    69     1.54547   111.98629   -58.69594
   79    78 S   HC   _H7_    70     1.09500   111.63416    68.47645
   80    78 S   HC   _H8_    71     1.09438   112.29246   -52.26116
   81    78 S   HC   _H9_    72     1.09636   111.52432  -172.07699
  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   9   5   4   3
  12   7   2   1   1  16   5  11   5   4  16  15   7   6   7   3
   2   1  12   5   4  20   8  13   7  10   6   5   3   1   9   4
   3  13   9   4   8   4   7   5   4   7   3   2   4   3   2   1
   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    61    40    41    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    56    61    62    40    41    42    47  
   38    39    43    61    40    41    42  
   36    37  
   37  
    0  
   39    43    44    45    46    51    56    61    62    40    41    42    47    48    49    50  
   43    44    61    40    47  
   41    42    47    43    44    54    56    57    58    61    62  
   42    43    56    61    62  
   43    56    61    62  
   44    45    46    51    52    53    54    56    57    58    61    62    47    48    49    50  
   45    46    51    52    53    54    55    56    77    61    62    47    48    49    50  
   46    51    52    53    54    61    47  
   51    52    53    54    61    47  
   48    49    50    51    56    61    62  
   49    50    61  
   50    61  
   61  
   52    53    54    55    56    57    58    66    74    77    78    61  
   53    54    55    56    77  
   54    55    56    77  
   55    56    57    58    59    60    63    66    67    71    74    75    76    77    78    79    80    81    61    62  
   56    57    58    66    74    77    78    61  
   57    58    59    60    63    64    65    66    74    77    78    61    62  
   58    59    60    63    77    61    62  
   59    60    63    64    65    66    67    77    61    62  
   60    63    64    65    66    61  
   63    64    65    66    61  
   62    63    77  
    0  
   64    65    66    67    68    69    74    77    78  
   65    66    67    77  
   66    67    77  
   67    68    69    70    71    74    75    76    77    78    79    80    81  
   68    69    70    71    72    73    74    77    78  
   69    70    71    77  
   70    71    72    73    74    75    76    77  
   71    72    73    74  
   72    73    74    75    76    77    78  
   73    74    75    76    77  
   74    75    76    77  
   75    76    77    78    79    80    81  
   76    77    78  
   77    78  
   78    79    80    81  
   79    80    81  
   80    81  
   81  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.522
   33    40   268.000  1.529
   38    39   570.000  1.229
   38    43   317.000  1.522
   43    44   268.000  1.529
   43    61   268.000  1.529
   43    47   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   268.000  1.529
   54    55   340.000  1.090
   54    56   268.000  1.529
   54    77   268.000  1.529
   56    57   340.000  1.090
   56    58   268.000  1.529
   56    61   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   317.000  1.510
   66    67   549.000  1.340
   66    77   317.000  1.510
   67    68   340.000  1.080
   67    69   320.000  1.462
   69    70   570.000  1.229
   69    71   317.000  1.522
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   268.000  1.529
   77    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   61    62   340.000  1.090
   61    40   268.000  1.529
   40    41   340.000  1.090
   40    42   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   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  110.18000
   29    33    40    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    43    70.00000  116.00000
   33    40    61    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    43    44    63.00000  111.10000
   38    43    61    63.00000  111.10000
   38    43    47    63.00000  111.10000
   43    38    39    80.00000  120.40000
   43    44    45    37.50000  110.70000
   43    44    46    37.50000  110.70000
   43    44    51    58.35000  112.70000
   43    61    56    58.35000  112.70000
   43    61    62    37.50000  110.70000
   43    61    40    58.35000  112.70000
   43    47    48    37.50000  110.70000
   43    47    49    37.50000  110.70000
   43    47    50    37.50000  110.70000
   44    51    52    37.50000  110.70000
   44    51    53    37.50000  110.70000
   44    51    54    58.35000  112.70000
   46    44    45    33.00000  107.80000
   51    44    45    37.50000  110.70000
   51    44    46    37.50000  110.70000
   51    54    55    37.50000  110.70000
   51    54    56    58.35000  112.70000
   51    54    77    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    37.50000  110.70000
   54    51    53    37.50000  110.70000
   54    56    57    37.50000  110.70000
   54    56    58    58.35000  112.70000
   54    56    61    58.35000  112.70000
   54    77    66    70.00000  112.02700
   54    77    74    58.35000  112.70000
   54    77    78    58.35000  112.70000
   56    54    55    37.50000  110.70000
   56    58    59    37.50000  110.70000
   56    58    60    37.50000  110.70000
   56    58    63    58.35000  112.70000
   56    61    62    37.50000  110.70000
   56    61    40    58.35000  112.70000
   58    56    57    37.50000  110.70000
   58    63    64    37.50000  110.70000
   58    63    65    37.50000  110.70000
   58    63    66    70.00000  112.02700
   60    58    59    33.00000  107.80000
   63    58    59    37.50000  110.70000
   63    58    60    37.50000  110.70000
   63    66    67    70.00000  124.00000
   63    66    77    65.00000  117.92700
   65    63    64    33.00000  107.80000
   66    63    64    35.00000  109.50000
   66    63    65    35.00000  109.50000
   66    67    68    35.00000  120.00000
   66    67    69    65.00000  118.96000
   66    77    74    70.00000  112.02700
   66    77    78    70.00000  112.02700
   67    69    70    80.00000  123.72100
   67    69    71    65.00000  118.62400
   69    67    68    40.00000  117.72500
   69    71    72    35.00000  109.50000
   69    71    73    35.00000  109.50000
   69    71    74    63.00000  111.10000
   71    69    70    80.00000  120.40000
   71    74    75    37.50000  110.70000
   71    74    76    37.50000  110.70000
   71    74    77    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    37.50000  110.70000
   74    71    73    37.50000  110.70000
   74    77    78    58.35000  112.70000
   76    74    75    33.00000  107.80000
   77    54    55    37.50000  110.70000
   77    54    56    58.35000  112.70000
   77    66    67    70.00000  124.00000
   77    74    75    37.50000  110.70000
   77    74    76    37.50000  110.70000
   77    78    79    37.50000  110.70000
   77    78    80    37.50000  110.70000
   77    78    81    37.50000  110.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   61    43    44    58.35000  112.70000
   61    56    57    37.50000  110.70000
   61    56    58    58.35000  112.70000
   61    40    41    37.50000  110.70000
   61    40    42    37.50000  110.70000
   40    33    34    37.50000  110.70000
   40    33    38    63.00000  111.10000
   40    61    62    37.50000  110.70000
   42    40    41    33.00000  107.80000
   47    43    44    58.35000  112.70000
   47    43    61    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    38    43   0.65300  1.0 1.0
   29    33    38    43  -0.03850 -1.0 2.0
   29    33    38    43   0.33900  1.0 3.0
   29    33    40    61   0.44750  1.0 1.0
   29    33    40    61  -0.17800 -1.0 2.0
   29    33    40    61   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   33    38    43    44   0.60050  1.0 1.0
   33    38    43    44   0.05600 -1.0 2.0
   33    38    43    44   0.26150  1.0 3.0
   33    38   -43    61   0.60050  1.0 1.0
   33    38   -43    61   0.05600 -1.0 2.0
   33    38   -43    61   0.26150  1.0 3.0
   33    38    43    47   0.60050  1.0 1.0
   33    38    43    47   0.05600 -1.0 2.0
   33    38    43    47   0.26150  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    43   0.00000  1.0 1.0
   34    33    40    61   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   38    33   -40    61  -0.95700  1.0 1.0
   38    33   -40    61  -0.18200 -1.0 2.0
   38    33   -40    61   0.29450  1.0 3.0
   38    33    40    41  -0.11250  1.0 3.0
   38    33    40    42  -0.11250  1.0 3.0
   38    43    44    45  -0.11250  1.0 3.0
   38    43    44    46  -0.11250  1.0 3.0
   38    43    44    51  -0.95700  1.0 1.0
   38    43    44    51  -0.18200 -1.0 2.0
   38    43    44    51   0.29450  1.0 3.0
   38    43    61    56  -0.95700  1.0 1.0
   38    43    61    56  -0.18200 -1.0 2.0
   38    43    61    56   0.29450  1.0 3.0
   38    43    61    62  -0.11250  1.0 3.0
   38    43   -61    40  -0.95700  1.0 1.0
   38    43   -61    40  -0.18200 -1.0 2.0
   38    43   -61    40   0.29450  1.0 3.0
   38    43    47    48  -0.11250  1.0 3.0
   38    43    47    49  -0.11250  1.0 3.0
   38    43    47    50  -0.11250  1.0 3.0
   39    38    43    44   0.30150 -1.0 2.0
   39    38    43    61   0.30150 -1.0 2.0
   39    38    43    47   0.30150 -1.0 2.0
   43    44    51    52   0.15000  1.0 3.0
   43    44    51    53   0.15000  1.0 3.0
   43    44    51    54   0.56750  1.0 1.0
   43    44    51    54  -0.07550 -1.0 2.0
   43    44    51    54   0.20000  1.0 3.0
   43    61   -40    33   0.56750  1.0 1.0
   43    61   -40    33  -0.07550 -1.0 2.0
   43    61   -40    33   0.20000  1.0 3.0
   43    61    40    41   0.15000  1.0 3.0
   43    61    40    42   0.15000  1.0 3.0
   44    43    61    56   0.56750  1.0 1.0
   44    43    61    56  -0.07550 -1.0 2.0
   44    43    61    56   0.20000  1.0 3.0
   44    43    61    62   0.15000  1.0 3.0
   44    43    61    40   0.56750  1.0 1.0
   44    43    61    40  -0.07550 -1.0 2.0
   44    43    61    40   0.20000  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    49   0.15000  1.0 3.0
   44    43    47    50   0.15000  1.0 3.0
   44    51    54    55   0.15000  1.0 3.0
   44    51   -54    56   0.56750  1.0 1.0
   44    51   -54    56  -0.07550 -1.0 2.0
   44    51   -54    56   0.20000  1.0 3.0
   44    51    54    77   0.56750  1.0 1.0
   44    51    54    77  -0.07550 -1.0 2.0
   44    51    54    77   0.20000  1.0 3.0
   45    44    51    52   0.15000  1.0 3.0
   45    44    51    53   0.15000  1.0 3.0
   45    44    51    54   0.15000  1.0 3.0
   46    44    51    52   0.15000  1.0 3.0
   46    44    51    53   0.15000  1.0 3.0
   46    44    51    54   0.15000  1.0 3.0
   51    54    56    57   0.15000  1.0 3.0
   51    54    56    58   0.56750  1.0 1.0
   51    54    56    58  -0.07550 -1.0 2.0
   51    54    56    58   0.20000  1.0 3.0
   51    54    56    61   0.56750  1.0 1.0
   51    54    56    61  -0.07550 -1.0 2.0
   51    54    56    61   0.20000  1.0 3.0
   51    54    77    66   0.34400  1.0 1.0
   51    54    77    66   0.09450 -1.0 2.0
   51    54    77    66   0.11100  1.0 3.0
   51    54    77    74   0.56750  1.0 1.0
   51    54    77    74  -0.07550 -1.0 2.0
   51    54    77    74   0.20000  1.0 3.0
   51    54    77    78   0.56750  1.0 1.0
   51    54    77    78  -0.07550 -1.0 2.0
   51    54    77    78   0.20000  1.0 3.0
   52    51    54    55   0.15000  1.0 3.0
   52    51    54    56   0.15000  1.0 3.0
   52    51    54    77   0.15000  1.0 3.0
   53    51    54    55   0.15000  1.0 3.0
   53    51    54    56   0.15000  1.0 3.0
   53    51    54    77   0.15000  1.0 3.0
   54    56    58    59   0.15000  1.0 3.0
   54    56    58    60   0.15000  1.0 3.0
   54    56    58    63   0.56750  1.0 1.0
   54    56    58    63  -0.07550 -1.0 2.0
   54    56    58    63   0.20000  1.0 3.0
   54    56   -61    43   0.56750  1.0 1.0
   54    56   -61    43  -0.07550 -1.0 2.0
   54    56   -61    43   0.20000  1.0 3.0
   54    56    61    62   0.15000  1.0 3.0
   54    56    61    40   0.56750  1.0 1.0
   54    56    61    40  -0.07550 -1.0 2.0
   54    56    61    40   0.20000  1.0 3.0
   54    77    78    79   0.15000  1.0 3.0
   54    77    78    80   0.15000  1.0 3.0
   54    77    78    81   0.15000  1.0 3.0
   55    54    56    57   0.15000  1.0 3.0
   55    54    56    58   0.15000  1.0 3.0
   55    54    56    61   0.15000  1.0 3.0
   55    54    77    66   0.15000  1.0 3.0
   55    54    77    74   0.15000  1.0 3.0
   55    54    77    78   0.15000  1.0 3.0
   56    54    77    66   0.34400  1.0 1.0
   56    54    77    66   0.09450 -1.0 2.0
   56    54    77    66   0.11100  1.0 3.0
   56    54    77    74   0.56750  1.0 1.0
   56    54    77    74  -0.07550 -1.0 2.0
   56    54    77    74   0.20000  1.0 3.0
   56    54    77    78   0.56750  1.0 1.0
   56    54    77    78  -0.07550 -1.0 2.0
   56    54    77    78   0.20000  1.0 3.0
   56    58    63    64   0.15000  1.0 3.0
   56    58    63    65   0.15000  1.0 3.0
   56    58   -63    66   0.34400  1.0 1.0
   56    58   -63    66   0.09450 -1.0 2.0
   56    58   -63    66   0.11100  1.0 3.0
   56    61    40    33   0.56750  1.0 1.0
   56    61    40    33  -0.07550 -1.0 2.0
   56    61    40    33   0.20000  1.0 3.0
   56    61    40    41   0.15000  1.0 3.0
   56    61    40    42   0.15000  1.0 3.0
   57    56    58    59   0.15000  1.0 3.0
   57    56    58    60   0.15000  1.0 3.0
   57    56    58    63   0.15000  1.0 3.0
   57    56    61    43   0.15000  1.0 3.0
   57    56    61    62   0.15000  1.0 3.0
   57    56    61    40   0.15000  1.0 3.0
   58    56    61    43   0.56750  1.0 1.0
   58    56    61    43  -0.07550 -1.0 2.0
   58    56    61    43   0.20000  1.0 3.0
   58    56    61    62   0.15000  1.0 3.0
   58    56    61    40   0.56750  1.0 1.0
   58    56    61    40  -0.07550 -1.0 2.0
   58    56    61    40   0.20000  1.0 3.0
   58    63    66    67   0.09850  1.0 1.0
   58    63    66    67   0.15250 -1.0 2.0
   58    63    66    67  -0.50650  1.0 3.0
   58    63    66    77   0.46850  1.0 1.0
   58    63    66    77   0.08550 -1.0 2.0
   58    63    66    77   0.09800  1.0 3.0
   59    58    63    64   0.15000  1.0 3.0
   59    58    63    65   0.15000  1.0 3.0
   59    58    63    66   0.15000  1.0 3.0
   60    58    63    64   0.15000  1.0 3.0
   60    58    63    65   0.15000  1.0 3.0
   60    58    63    66   0.15000  1.0 3.0
   63    66    67    68   7.00000 -1.0 2.0
   63    66    67    69   7.00000 -1.0 2.0
   63    66   -77    54   0.46850  1.0 1.0
   63    66   -77    54   0.08550 -1.0 2.0
   63    66   -77    54   0.09800  1.0 3.0
   63    66    77    74   0.46850  1.0 1.0
   63    66    77    74   0.08550 -1.0 2.0
   63    66    77    74   0.09800  1.0 3.0
   63    66    77    78   0.46850  1.0 1.0
   63    66    77    78   0.08550 -1.0 2.0
   63    66    77    78   0.09800  1.0 3.0
   64    63    66    67   0.00000  1.0 1.0
   64    63    66    77   0.34800  1.0 3.0
   65    63    66    67   0.00000  1.0 1.0
   65    63    66    77   0.34800  1.0 3.0
   66    67    69    70   1.00000 -1.0 2.0
   66    67    69    71  -0.33500  1.0 1.0
   66    67    69    71   1.06600 -1.0 2.0
   66    67    69    71  -0.14000  1.0 3.0
   66    77    78    79   0.15000  1.0 3.0
   66    77    78    80   0.15000  1.0 3.0
   66    77    78    81   0.15000  1.0 3.0
   67    66    77    54   0.09850  1.0 1.0
   67    66    77    54   0.15250 -1.0 2.0
   67    66    77    54  -0.50650  1.0 3.0
   67    66    77    74   0.09850  1.0 1.0
   67    66    77    74   0.15250 -1.0 2.0
   67    66    77    74  -0.50650  1.0 3.0
   67    66    77    78   0.09850  1.0 1.0
   67    66    77    78   0.15250 -1.0 2.0
   67    66    77    78  -0.50650  1.0 3.0
   67    69    71    72   0.00000  1.0 1.0
   67    69    71    73   0.00000  1.0 1.0
   67    69   -71    74   0.65300  1.0 1.0
   67    69   -71    74  -0.03850 -1.0 2.0
   67    69   -71    74   0.33900  1.0 3.0
   68    67    69    70   0.00000  1.0 1.0
   68    67    69    71   0.04550  1.0 1.0
   68    67    69    71   0.83000 -1.0 2.0
   68    67    69    71  -0.04000  1.0 3.0
   69    71    74    75  -0.11250  1.0 3.0
   69    71    74    76  -0.11250  1.0 3.0
   69    71    74    77  -0.95700  1.0 1.0
   69    71    74    77  -0.18200 -1.0 2.0
   69    71    74    77   0.29450  1.0 3.0
   70    69    71    72   0.00000  1.0 1.0
   70    69    71    73   0.00000  1.0 1.0
   70    69    71    74   0.30150 -1.0 2.0
   71    74    77    54   0.56750  1.0 1.0
   71    74    77    54  -0.07550 -1.0 2.0
   71    74    77    54   0.20000  1.0 3.0
   71    74   -77    66   0.34400  1.0 1.0
   71    74   -77    66   0.09450 -1.0 2.0
   71    74   -77    66   0.11100  1.0 3.0
   71    74    77    78   0.56750  1.0 1.0
   71    74    77    78  -0.07550 -1.0 2.0
   71    74    77    78   0.20000  1.0 3.0
   72    71    74    75   0.15000  1.0 3.0
   72    71    74    76   0.15000  1.0 3.0
   72    71    74    77   0.15000  1.0 3.0
   73    71    74    75   0.15000  1.0 3.0
   73    71    74    76   0.15000  1.0 3.0
   73    71    74    77   0.15000  1.0 3.0
   74    77    78    79   0.15000  1.0 3.0
   74    77    78    80   0.15000  1.0 3.0
   74    77    78    81   0.15000  1.0 3.0
   75    74    77    54   0.15000  1.0 3.0
   75    74    77    66   0.15000  1.0 3.0
   75    74    77    78   0.15000  1.0 3.0
   76    74    77    54   0.15000  1.0 3.0
   76    74    77    66   0.15000  1.0 3.0
   76    74    77    78   0.15000  1.0 3.0
   77    54    56    57   0.15000  1.0 3.0
   77    54   -56    58   0.56750  1.0 1.0
   77    54   -56    58  -0.07550 -1.0 2.0
   77    54   -56    58   0.20000  1.0 3.0
   77    54    56    61   0.56750  1.0 1.0
   77    54    56    61  -0.07550 -1.0 2.0
   77    54    56    61   0.20000  1.0 3.0
   77    66    67    68   7.00000 -1.0 2.0
   77    66   -67    69   7.00000 -1.0 2.0
   61    43    44    45   0.15000  1.0 3.0
   61    43    44    46   0.15000  1.0 3.0
   61    43   -44    51   0.56750  1.0 1.0
   61    43   -44    51  -0.07550 -1.0 2.0
   61    43   -44    51   0.20000  1.0 3.0
   61    43    47    48   0.15000  1.0 3.0
   61    43    47    49   0.15000  1.0 3.0
   61    43    47    50   0.15000  1.0 3.0
   61    56    58    59   0.15000  1.0 3.0
   61    56    58    60   0.15000  1.0 3.0
   61    56    58    63   0.56750  1.0 1.0
   61    56    58    63  -0.07550 -1.0 2.0
   61    56    58    63   0.20000  1.0 3.0
   62    61    40    33   0.15000  1.0 3.0
   62    61    40    41   0.15000  1.0 3.0
   62    61    40    42   0.15000  1.0 3.0
   40    33    38    39   0.30150 -1.0 2.0
   40    33   -38    43   0.60050  1.0 1.0
   40    33   -38    43   0.05600 -1.0 2.0
   40    33   -38    43   0.26150  1.0 3.0
   47    43    44    45   0.15000  1.0 3.0
   47    43    44    46   0.15000  1.0 3.0
   47    43    44    51   0.56750  1.0 1.0
   47    43    44    51  -0.07550 -1.0 2.0
   47    43    44    51   0.20000  1.0 3.0
   47    43    61    56   0.56750  1.0 1.0
   47    43    61    56  -0.07550 -1.0 2.0
   47    43    61    56   0.20000  1.0 3.0
   47    43    61    62   0.15000  1.0 3.0
   47    43    61    40   0.56750  1.0 1.0
   47    43    61    40  -0.07550 -1.0 2.0
   47    43    61    40   0.20000  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
   36    30    35    37  10.50000 -1.0 2.0
   33    43    38    39  10.50000 -1.0 2.0
   63    77    66    67   1.10000 -1.0 2.0
   69    68    67    66   1.10000 -1.0 2.0
   67    71    69    70  10.50000 -1.0 2.0
END
