* LIGAND DATABASE FILE (OPLS2005)
*
001      76    78    148    237     447
    1     0 S   NP   _N1_     1    28.73908    96.22350   -24.55992
    2     1 S   H    _HN1     2     1.02829    37.17484  -179.29058
    3     1 S   H    _H1_     3     1.02787   109.98509   -85.77266
    4     1 S   H    _H2_     4     1.02950    71.38022    17.60585
    5     1 S   CT   _CA1     5     1.50109   134.14225   118.30873
    6     5 S   HC   _HA1     6     1.09572   105.19681    94.14848
    7     5 S   CO3  _C1_     7     1.53794   112.49950   -26.09532
    8     7 S   O2Z  _O11     8     1.26371   115.00907   -41.76881
    9     7 S   O2Z  _O12     9     1.26243   114.95100   137.41602
   10     5 S   CT   _CB1    10     1.53084   107.42878  -147.84342
   11    10 S   HC   HB11    11     1.09831   109.38931   -49.59767
   12    10 S   HC   HB12    12     1.09813   110.43701    67.02325
   13    10 S   CT   _CG1    13     1.52982   112.59354  -170.57416
   14    13 S   HC   HG11    14     1.09583   110.62148   -65.47371
   15    13 S   HC   HG12    15     1.09671   109.78779    53.75171
   16    13 S   C    _CD1    16     1.51795   112.27167   174.22756
   17    16 S   O    _OE1    17     1.22724   123.28674     6.50355
   18    16 S   N    _N2_    18     1.38637   111.60676  -173.56517
   19    18 S   H    _HN2    19     1.01574   118.98106     1.96244
   20    18 S   CT1  _CA2    20     1.46283   123.50986   177.90912
   21    20 S   HC   _HA2    21     1.09741   109.28816     3.90154
   22    20 S   C    _C2_    22     1.53625   108.87049  -111.52204
   23    22 S   O    _O2_    23     1.23052   122.32322  -150.61288
   24    20 S   CT   _CB2    32     1.53411   111.32945   125.83049
   25    24 S   HC   HB21    33     1.09531   109.70318    55.20735
   26    24 S   HC   HB22    34     1.09397   110.00596   174.70502
   27    22 S   N    _N3_    24     1.38350   113.79964    37.01825
   28    27 S   H    _HN3    25     1.01561   119.55931    -3.46899
   29    24 S   S    _SG2    35     1.82738   111.07454   -65.75877
   30    27 S   CT   _CA3    26     1.45274   123.22016   177.06608
   31    30 S   HC   HA31    27     1.09549   107.53038   -64.21311
   32    30 S   HC   HA32    28     1.09557   107.97071    52.22953
   33    29 S   CT   _C10    36     1.86707   100.79257   165.39510
   34    33 S   HC   _H3_    37     1.09703   103.86231   -45.40692
   35    30 S   CO3  _C3_    29     1.52954   114.07058   174.21772
   36    35 S   O2Z  _O31    30     1.26379   116.07770    -0.41164
   37    35 S   O2Z  _O32    31     1.26428   114.41790   179.63792
   38    33 S   CM   _C4_    38     1.52323   109.39755    72.08351
   39    33 S   CT   _C12    54     1.57542   112.76272  -158.41032
   40    39 S   HC   _H31    55     1.09646   105.72231   131.69039
   41    38 S   CT   _C9_    39     1.51665   116.21065    83.70224
   42    41 S   HC   _H28    40     1.09666   109.25420  -140.00307
   43    39 S   OH   _O19    56     1.43456   110.43901    17.59774
   44    43 S   HO   _H42    57     0.97264   107.53796    37.52554
   45    38 S   CMA  _C5_    74     1.35624   123.72288   -99.64593
   46    45 S   OM   _O16    75     1.25943   133.17366     0.24866
   47    45 S   HC   _H21    76     1.09255   112.29410  -178.84394
   48    41 S   CT   _C8_    41     1.53047   113.17936    98.85791
   49    48 S   HC   _H26    42     1.09662   111.03196    65.60197
   50    48 S   HC   _H27    43     1.09830   107.33686  -178.50970
   51    41 S   OS   _O17    59     1.43076   108.07189   -25.47866
   52    48 S   CT   _C13    44     1.54621   110.78867   -58.49122
   53    52 S   CT   _C7_    45     1.55679   110.12943  -144.55888
   54    53 S   HC   _H24    46     1.09511   113.39664   -11.54420
   55    53 S   HC   _H25    47     1.09706   111.22513  -131.41086
   56    52 S   CT   _C15    70     1.54338   109.80990    97.53267
   57    56 S   HC   _H32    71     1.09014   113.39997   -63.79629
   58    56 S   HC   _H33    72     1.09161   112.54840   175.05319
   59    56 S   HC   _H34    73     1.09686   110.38428    56.23968
   60    53 S   CT   _C6_    48     1.52084   106.01314   110.60976
   61    60 S   HC   _H22    49     1.09142   112.45272   157.92629
   62    60 S   HC   _H23    50     1.09780   109.37132   -85.61752
   63    60 S   CT   _C11    51     1.54645   104.46073    32.28627
   64    63 S   HC   _H30    52     1.09883   106.82678  -159.12350
   65    52 S   CT   _C14    53     1.57085   108.23955   -30.00763
   66    63 S   CT   _C18    60     1.56824   113.61309    82.07991
   67    66 S   HC   _H41    61     1.09106   110.21401   -81.72648
   68    65 S   OS   _O18    58     1.46248   106.08880   -32.18564
   69    66 S   CT   _C16    62     1.53836   113.20914    37.49361
   70    69 S   HC   _H35    63     1.09515   111.27570    52.91409
   71    69 S   HC   _H36    64     1.09420   111.42284   -68.92527
   72    69 S   HC   _H37    65     1.09597   111.17726   173.12009
   73    66 S   CT   _C17    66     1.53717   112.68129   158.72200
   74    73 S   HC   _H38    67     1.09487   111.44683   -47.39863
   75    73 S   HC   _H39    68     1.09619   111.19975  -167.41427
   76    73 S   HC   _H40    69     1.09022   112.06720    74.86587
  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
  17   7   2   1   1  15  16   6  13   7   5   1   4   1   1  15
   6   5   4  15  14   7   6   7   3   2   1  10   5   4  13   6
   5  10   8   1   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    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    41    65    39    40    43    45  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    48    52    63    65    39    40    43    44    68    51    45    46    47  
   38    41    65    39    40    43    45  
   36    37  
   37  
    0  
   41    42    48    49    50    52    65    39    40    43    68    51    45    46    47  
   40    43    44    68    51    66    56    45    41    48    52    53    60    63    64    65  
   43    44    68    52    63    65  
   42    48    49    50    52    53    65    68    51    56    45    46    47  
   48    49    50    52    68    51    45  
   44    68    52    63    65  
   65  
   46    47    48    51  
   47  
    0  
   49    50    52    53    54    55    60    63    65    68    51    56    57    58    59  
   50    52    53    65    51    56  
   52    53    65    51    56  
   52    63    65    68  
   53    54    55    60    61    62    63    64    65    68    66    56    57    58    59  
   54    55    60    61    62    63    64    65    68    66    56    57    58    59  
   55    60    61    62    63    65    56  
   60    61    62    63    65    56  
   57    58    59    60    63    65    68  
   58    59    65  
   59    65  
   65  
   61    62    63    64    65    68    66    67    69    73  
   62    63    64    65    66  
   63    64    65    66  
   64    65    68    66    67    69    70    71    72    73    74    75    76  
   65    68    66    67    69    73  
   68    66    67    69    73  
   67    69    70    71    72    73    74    75    76    68  
   69    70    71    72    73    74    75    76  
    0  
   70    71    72    73    74    75    76  
   71    72    73  
   72    73  
   73  
   74    75    76  
   75    76  
   76  
    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   2.5000   0.0300   0.060000   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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5500   0.0760   0.437200   2.0020   1.7750   0.023028004  -0.852763146
   46   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   47   2.5000   0.0500  -0.062100   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   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   2.9000   0.1400  -0.200000   1.5900   1.4000   0.020110767  -0.896042159
   52   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.060000   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   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.9000   0.1400  -0.200000   1.5900   1.4000   0.020110767  -0.896042159
   69   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   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  1.510
   33    39   268.000  1.529
   38    41   317.000  1.510
   38    45   465.000  1.376
   41    42   340.000  1.090
   41    48   268.000  1.529
   41    51   320.000  1.410
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    52   268.000  1.529
   52    53   268.000  1.529
   52    65   268.000  1.529
   52    56   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   268.000  1.529
   63    64   340.000  1.090
   63    65   268.000  1.529
   63    66   268.000  1.529
   65    39   268.000  1.529
   65    68   320.000  1.410
   39    40   340.000  1.090
   39    43   320.000  1.410
   43    44   553.000  0.945
   68    51   245.000  1.492
   66    67   340.000  1.090
   66    69   268.000  1.529
   66    73   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   45    46   745.000  1.250
   45    47   335.000  1.111
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    75.00000  111.63000
   33    38    41    65.00000  117.92700
   33    38    45    70.00000  124.00000
   33    39    65    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    43    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    41    42    35.00000  109.50000
   38    41    48    70.00000  112.02700
   38    41    51    85.00000  110.90400
   38    45    46    65.00000  137.10300
   38    45    47    45.00000  105.30000
   41    48    49    37.50000  110.70000
   41    48    50    37.50000  110.70000
   41    48    52    58.35000  112.70000
   41    51    68   125.00000  107.00000
   48    41    42    37.50000  110.70000
   48    52    53    58.35000  112.70000
   48    52    65    58.35000  112.70000
   48    52    56    58.35000  112.70000
   50    48    49    33.00000  107.80000
   52    48    49    37.50000  110.70000
   52    48    50    37.50000  110.70000
   52    53    54    37.50000  110.70000
   52    53    55    37.50000  110.70000
   52    53    60    58.35000  112.70000
   52    65    63    58.35000  112.70000
   52    65    39    58.35000  112.70000
   52    65    68    50.00000  109.50000
   52    56    57    37.50000  110.70000
   52    56    58    37.50000  110.70000
   52    56    59    37.50000  110.70000
   53    60    61    37.50000  110.70000
   53    60    62    37.50000  110.70000
   53    60    63    58.35000  112.70000
   55    53    54    33.00000  107.80000
   60    53    54    37.50000  110.70000
   60    53    55    37.50000  110.70000
   60    63    64    37.50000  110.70000
   60    63    65    58.35000  112.70000
   60    63    66    58.35000  112.70000
   62    60    61    33.00000  107.80000
   63    60    61    37.50000  110.70000
   63    60    62    37.50000  110.70000
   63    65    39    58.35000  112.70000
   63    65    68    50.00000  109.50000
   63    66    67    37.50000  110.70000
   63    66    69    58.35000  112.70000
   63    66    73    58.35000  112.70000
   65    52    53    58.35000  112.70000
   65    63    64    37.50000  110.70000
   65    39    40    37.50000  110.70000
   65    39    43    50.00000  109.50000
   65    68    51   125.00000  107.00000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   39    43    44    55.00000  108.50000
   43    39    40    35.00000  109.50000
   68    65    39    50.00000  109.50000
   51    41    42    35.00000  109.50000
   51    41    48    50.00000  109.50000
   66    63    64    37.50000  110.70000
   66    63    65    58.35000  112.70000
   66    69    70    37.50000  110.70000
   66    69    71    37.50000  110.70000
   66    69    72    37.50000  110.70000
   66    73    74    37.50000  110.70000
   66    73    75    37.50000  110.70000
   66    73    76    37.50000  110.70000
   69    66    67    37.50000  110.70000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   73    66    67    37.50000  110.70000
   73    66    69    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   56    52    53    58.35000  112.70000
   56    52    65    58.35000  112.70000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   45    38    41    70.00000  124.00000
   47    45    46    50.00000  124.16400
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   0.01700  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    38    41   0.30250  1.0 1.0
   29    33    38    41  -0.14950 -1.0 2.0
   29    33    38    41   0.36900  1.0 3.0
   29    33    38    45   0.42700  1.0 1.0
   29    33    38    45  -0.70350 -1.0 2.0
   29    33    38    45  -0.43150  1.0 3.0
   29    33    39    65   0.44750  1.0 1.0
   29    33    39    65  -0.17800 -1.0 2.0
   29    33    39    65   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.56750  1.0 1.0
   29    33    39    43  -0.07550 -1.0 2.0
   29    33    39    43   0.20000  1.0 3.0
   33    38    41    42   0.34800  1.0 3.0
   33    38    41    48   0.46850  1.0 1.0
   33    38    41    48   0.08550 -1.0 2.0
   33    38    41    48   0.09800  1.0 3.0
   33    38    41    51   0.09700  1.0 1.0
   33    38    41    51   0.15600 -1.0 2.0
   33    38    41    51  -0.50800  1.0 3.0
   33    38    45    46   7.00000 -1.0 2.0
   33    38    45    47   7.00000 -1.0 2.0
   33    39    43    44  -0.11600  1.0 1.0
   33    39    43    44  -0.09450 -1.0 2.0
   33    39    43    44   0.21250  1.0 3.0
   34    33    38    41   0.34800  1.0 3.0
   34    33    38    45   0.00000  1.0 1.0
   34    33    39    65   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    43   0.23400  1.0 3.0
   38    33    39    65   0.34400  1.0 1.0
   38    33    39    65   0.09450 -1.0 2.0
   38    33    39    65   0.11100  1.0 3.0
   38    33    39    40   0.15000  1.0 3.0
   38    33    39    43   1.05650  1.0 1.0
   38    33    39    43   0.15600 -1.0 2.0
   38    33    39    43   0.53150  1.0 3.0
   38    41    48    49   0.15000  1.0 3.0
   38    41    48    50   0.15000  1.0 3.0
   38    41    48    52   0.34400  1.0 1.0
   38    41    48    52   0.09450 -1.0 2.0
   38    41    48    52   0.11100  1.0 3.0
   38    41    51    68   0.37500  1.0 3.0
   41    38    45    46   7.00000 -1.0 2.0
   41    38    45    47   7.00000 -1.0 2.0
   41    48    52    53   0.56750  1.0 1.0
   41    48    52    53  -0.07550 -1.0 2.0
   41    48    52    53   0.20000  1.0 3.0
   41    48    52    65   0.56750  1.0 1.0
   41    48    52    65  -0.07550 -1.0 2.0
   41    48    52    65   0.20000  1.0 3.0
   41    48    52    56   0.56750  1.0 1.0
   41    48    52    56  -0.07550 -1.0 2.0
   41    48    52    56   0.20000  1.0 3.0
   42    41    48    49   0.15000  1.0 3.0
   42    41    48    50   0.15000  1.0 3.0
   42    41    48    52   0.15000  1.0 3.0
   42    41    51    68   0.37500  1.0 3.0
   48    41    51    68   0.37500  1.0 3.0
   48    52    53    54   0.15000  1.0 3.0
   48    52    53    55   0.15000  1.0 3.0
   48    52    53    60   0.56750  1.0 1.0
   48    52    53    60  -0.07550 -1.0 2.0
   48    52    53    60   0.20000  1.0 3.0
   48    52    65    63   0.56750  1.0 1.0
   48    52    65    63  -0.07550 -1.0 2.0
   48    52    65    63   0.20000  1.0 3.0
   48    52    65    39   0.56750  1.0 1.0
   48    52    65    39  -0.07550 -1.0 2.0
   48    52    65    39   0.20000  1.0 3.0
   48    52   -65    68   0.62750  1.0 1.0
   48    52   -65    68  -0.30950 -1.0 2.0
   48    52   -65    68   0.27300  1.0 3.0
   48    52    56    57   0.15000  1.0 3.0
   48    52    56    58   0.15000  1.0 3.0
   48    52    56    59   0.15000  1.0 3.0
   49    48    52    53   0.15000  1.0 3.0
   49    48    52    65   0.15000  1.0 3.0
   49    48    52    56   0.15000  1.0 3.0
   50    48    52    53   0.15000  1.0 3.0
   50    48    52    65   0.15000  1.0 3.0
   50    48    52    56   0.15000  1.0 3.0
   52    53    60    61   0.15000  1.0 3.0
   52    53    60    62   0.15000  1.0 3.0
   52    53   -60    63   0.56750  1.0 1.0
   52    53   -60    63  -0.07550 -1.0 2.0
   52    53   -60    63   0.20000  1.0 3.0
   52    65    39    33   0.56750  1.0 1.0
   52    65    39    33  -0.07550 -1.0 2.0
   52    65    39    33   0.20000  1.0 3.0
   52    65    39    40   0.15000  1.0 3.0
   52    65    39    43   0.86500  1.0 1.0
   52    65    39    43  -0.17500 -1.0 2.0
   52    65    39    43   0.20800  1.0 3.0
   52    65    68    51   0.37500  1.0 3.0
   53    52   -65    63   0.56750  1.0 1.0
   53    52   -65    63  -0.07550 -1.0 2.0
   53    52   -65    63   0.20000  1.0 3.0
   53    52    65    39   0.56750  1.0 1.0
   53    52    65    39  -0.07550 -1.0 2.0
   53    52    65    39   0.20000  1.0 3.0
   53    52    65    68   0.62750  1.0 1.0
   53    52    65    68  -0.30950 -1.0 2.0
   53    52    65    68   0.27300  1.0 3.0
   53    52    56    57   0.15000  1.0 3.0
   53    52    56    58   0.15000  1.0 3.0
   53    52    56    59   0.15000  1.0 3.0
   53    60    63    64   0.15000  1.0 3.0
   53    60   -63    65   0.56750  1.0 1.0
   53    60   -63    65  -0.07550 -1.0 2.0
   53    60   -63    65   0.20000  1.0 3.0
   53    60    63    66   0.56750  1.0 1.0
   53    60    63    66  -0.07550 -1.0 2.0
   53    60    63    66   0.20000  1.0 3.0
   54    53    60    61   0.15000  1.0 3.0
   54    53    60    62   0.15000  1.0 3.0
   54    53    60    63   0.15000  1.0 3.0
   55    53    60    61   0.15000  1.0 3.0
   55    53    60    62   0.15000  1.0 3.0
   55    53    60    63   0.15000  1.0 3.0
   60    63   -65    52   0.56750  1.0 1.0
   60    63   -65    52  -0.07550 -1.0 2.0
   60    63   -65    52   0.20000  1.0 3.0
   60    63    65    39   0.56750  1.0 1.0
   60    63    65    39  -0.07550 -1.0 2.0
   60    63    65    39   0.20000  1.0 3.0
   60    63    65    68   0.62750  1.0 1.0
   60    63    65    68  -0.30950 -1.0 2.0
   60    63    65    68   0.27300  1.0 3.0
   60    63    66    67   0.15000  1.0 3.0
   60    63    66    69   0.56750  1.0 1.0
   60    63    66    69  -0.07550 -1.0 2.0
   60    63    66    69   0.20000  1.0 3.0
   60    63    66    73   0.56750  1.0 1.0
   60    63    66    73  -0.07550 -1.0 2.0
   60    63    66    73   0.20000  1.0 3.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    65   0.15000  1.0 3.0
   61    60    63    66   0.15000  1.0 3.0
   62    60    63    64   0.15000  1.0 3.0
   62    60    63    65   0.15000  1.0 3.0
   62    60    63    66   0.15000  1.0 3.0
   63    65    39    33   0.56750  1.0 1.0
   63    65    39    33  -0.07550 -1.0 2.0
   63    65    39    33   0.20000  1.0 3.0
   63    65    39    40   0.15000  1.0 3.0
   63    65    39    43   0.86500  1.0 1.0
   63    65    39    43  -0.17500 -1.0 2.0
   63    65    39    43   0.20800  1.0 3.0
   63    65    68    51   0.37500  1.0 3.0
   63    66    69    70   0.15000  1.0 3.0
   63    66    69    71   0.15000  1.0 3.0
   63    66    69    72   0.15000  1.0 3.0
   63    66    73    74   0.15000  1.0 3.0
   63    66    73    75   0.15000  1.0 3.0
   63    66    73    76   0.15000  1.0 3.0
   64    63    65    52   0.15000  1.0 3.0
   64    63    65    39   0.15000  1.0 3.0
   64    63    65    68   0.23400  1.0 3.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    69   0.15000  1.0 3.0
   64    63    66    73   0.15000  1.0 3.0
   65    52    53    54   0.15000  1.0 3.0
   65    52    53    55   0.15000  1.0 3.0
   65    52   -53    60   0.56750  1.0 1.0
   65    52   -53    60  -0.07550 -1.0 2.0
   65    52   -53    60   0.20000  1.0 3.0
   65    52    56    57   0.15000  1.0 3.0
   65    52    56    58   0.15000  1.0 3.0
   65    52    56    59   0.15000  1.0 3.0
   65    63    66    67   0.15000  1.0 3.0
   65    63    66    69   0.56750  1.0 1.0
   65    63    66    69  -0.07550 -1.0 2.0
   65    63    66    69   0.20000  1.0 3.0
   65    63    66    73   0.56750  1.0 1.0
   65    63    66    73  -0.07550 -1.0 2.0
   65    63    66    73   0.20000  1.0 3.0
   65    39    43    44  -0.11600  1.0 1.0
   65    39    43    44  -0.09450 -1.0 2.0
   65    39    43    44   0.21250  1.0 3.0
   65    68   -51    41  -2.50000 -1.0 2.0
   39    33    38    41   0.46850  1.0 1.0
   39    33    38    41   0.08550 -1.0 2.0
   39    33    38    41   0.09800  1.0 3.0
   39    33    38    45   0.09850  1.0 1.0
   39    33    38    45   0.15250 -1.0 2.0
   39    33    38    45  -0.50650  1.0 3.0
   39    65    68    51   0.37500  1.0 3.0
   40    39    43    44   0.19450  1.0 3.0
   68    65    39    33   0.62750  1.0 1.0
   68    65    39    33  -0.30950 -1.0 2.0
   68    65    39    33   0.27300  1.0 3.0
   68    65    39    40   0.23400  1.0 3.0
   68    65    39    43   3.69350  1.0 1.0
   68    65    39    43  -1.82950 -1.0 2.0
   51    41    48    49   0.23400  1.0 3.0
   51    41    48    50   0.23400  1.0 3.0
   51    41   -48    52   0.62750  1.0 1.0
   51    41   -48    52  -0.30950 -1.0 2.0
   51    41   -48    52   0.27300  1.0 3.0
   66    63    65    52   0.56750  1.0 1.0
   66    63    65    52  -0.07550 -1.0 2.0
   66    63    65    52   0.20000  1.0 3.0
   66    63    65    39   0.56750  1.0 1.0
   66    63    65    39  -0.07550 -1.0 2.0
   66    63    65    39   0.20000  1.0 3.0
   66    63    65    68   0.62750  1.0 1.0
   66    63    65    68  -0.30950 -1.0 2.0
   66    63    65    68   0.27300  1.0 3.0
   67    66    69    70   0.15000  1.0 3.0
   67    66    69    71   0.15000  1.0 3.0
   67    66    69    72   0.15000  1.0 3.0
   67    66    73    74   0.15000  1.0 3.0
   67    66    73    75   0.15000  1.0 3.0
   67    66    73    76   0.15000  1.0 3.0
   69    66    73    74   0.15000  1.0 3.0
   69    66    73    75   0.15000  1.0 3.0
   69    66    73    76   0.15000  1.0 3.0
   73    66    69    70   0.15000  1.0 3.0
   73    66    69    71   0.15000  1.0 3.0
   73    66    69    72   0.15000  1.0 3.0
   56    52    53    54   0.15000  1.0 3.0
   56    52    53    55   0.15000  1.0 3.0
   56    52    53    60   0.56750  1.0 1.0
   56    52    53    60  -0.07550 -1.0 2.0
   56    52    53    60   0.20000  1.0 3.0
   56    52    65    63   0.56750  1.0 1.0
   56    52    65    63  -0.07550 -1.0 2.0
   56    52    65    63   0.20000  1.0 3.0
   56    52    65    39   0.56750  1.0 1.0
   56    52    65    39  -0.07550 -1.0 2.0
   56    52    65    39   0.20000  1.0 3.0
   56    52    65    68   0.62750  1.0 1.0
   56    52    65    68  -0.30950 -1.0 2.0
   56    52    65    68   0.27300  1.0 3.0
   45    38    41    42   0.00000  1.0 1.0
   45    38    41    48   0.09850  1.0 1.0
   45    38    41    48   0.15250 -1.0 2.0
   45    38    41    48  -0.50650  1.0 3.0
   45    38    41    51   0.39000  1.0 1.0
   45    38    41    51  -0.05800 -1.0 2.0
   45    38    41    51  -0.55150  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    41    38    45   1.10000 -1.0 2.0
   46    47    45    38   1.10000 -1.0 2.0
END
