* LIGAND DATABASE FILE (OPLS2005)
*
001      77    79    151    244     459
    1     0 S   NP   _N1_     1    28.68208    95.62166   -24.08084
    2     1 S   H    _HN1     2     1.02782   109.07471   -83.92155
    3     1 S   H    _H1_     3     1.02951    74.01928    20.42966
    4     1 S   H    _H2_     4     1.02826    34.75574  -178.06872
    5     1 S   CT   _CA1     5     1.50118   133.87619   123.55907
    6     5 S   HC   _HA1     6     1.09574   105.19100    90.46289
    7     5 S   CO3  _C1_     7     1.53786   112.47236   -29.73665
    8     7 S   O2Z  _O11     8     1.26369   114.99961   -42.00688
    9     7 S   O2Z  _O12     9     1.26243   114.94610   137.11647
   10     5 S   CT   _CB1    10     1.53083   107.41397  -151.57611
   11    10 S   HC   HB11    11     1.09831   109.33512   -49.96158
   12    10 S   HC   HB12    12     1.09813   110.45358    66.63673
   13    10 S   CT   _CG1    13     1.52984   112.62188  -170.96769
   14    13 S   HC   HG11    14     1.09585   110.59472   -65.97056
   15    13 S   HC   HG12    15     1.09672   109.80871    53.25359
   16    13 S   C    _CD1    16     1.51806   112.27807   173.66420
   17    16 S   O    _OE1    17     1.22726   123.30987     5.74314
   18    16 S   N    _N2_    18     1.38651   111.62905  -174.27337
   19    18 S   H    _HN2    19     1.01580   118.92461     1.58881
   20    18 S   CT1  _CA2    20     1.46204   123.42203   177.43250
   21    20 S   HC   _HA2    21     1.09737   109.37595     1.41402
   22    20 S   C    _C2_    22     1.53549   108.58704  -114.02853
   23    22 S   O    _O2_    23     1.23053   122.31297  -148.25902
   24    20 S   CT   _CB2    32     1.53340   111.53615   123.46905
   25    24 S   HC   HB21    33     1.09570   109.98272    55.53874
   26    24 S   HC   HB22    34     1.09437   109.93518   174.77187
   27    22 S   N    _N3_    24     1.38340   113.68206    39.23317
   28    27 S   H    _HN3    25     1.01589   119.57610    -3.39586
   29    24 S   S    _SG2    35     1.82822   111.39512   -65.52774
   30    27 S   CT   _CA3    26     1.45284   123.19462   177.07832
   31    30 S   HC   HA31    27     1.09550   107.51832   -64.30946
   32    30 S   HC   HA32    28     1.09557   107.97233    52.12145
   33    29 S   CT   _C12    36     1.85931   100.24552   168.34487
   34    33 S   HC   _H3_    37     1.09853   103.78038   -51.93603
   35    30 S   CO3  _C3_    29     1.52953   114.09286   174.11370
   36    35 S   O2Z  _O31    30     1.26375   116.07385    -0.64285
   37    35 S   O2Z  _O32    31     1.26430   114.41028   179.41249
   38    33 S   CT   _C8_    38     1.54774   107.86577  -166.10267
   39    38 S   HC   _H28    39     1.09555   112.66473   -43.54287
   40    33 S   CT   _C11    55     1.55891   110.47363    64.23262
   41    40 S   HC   _H31    56     1.09451   109.26788    19.77129
   42    38 S   CT   _C10    40     1.53545   112.84740  -168.77353
   43    42 S   HC   _H30    41     1.09708   110.33563  -143.11179
   44    40 S   OH   _O19    57     1.44027   105.87801   -94.47486
   45    44 S   HO   _H43    58     0.97374   107.31183   -73.97008
   46    38 S   CO4  _C4_    75     1.52336   108.93877    72.93851
   47    46 S   O    _O16    76     1.22739   123.23796  -128.29071
   48    46 S   HC   _H21    77     1.10432   116.12112    53.84870
   49    42 S   CT   _C7_    42     1.53098   113.48533    96.92756
   50    49 S   HC   _H26    43     1.09642   110.43602    63.43347
   51    49 S   HC   _H27    44     1.09827   106.99681   178.74993
   52    42 S   OS   _O17    60     1.43169   106.77103   -28.18966
   53    49 S   CT   _C13    45     1.54315   111.68050   -61.10172
   54    53 S   CT   _C6_    46     1.55779   110.25831  -143.17184
   55    54 S   HC   _H24    47     1.09517   113.43010   -10.06095
   56    54 S   HC   _H25    48     1.09685   111.28833  -129.77634
   57    53 S   CT   _C15    71     1.54260   110.16017    98.89664
   58    57 S   HC   _H33    72     1.08947   113.47957   -66.28213
   59    57 S   HC   _H34    73     1.09222   112.46354   172.55737
   60    57 S   HC   _H35    74     1.09680   110.41524    53.96611
   61    54 S   CT   _C5_    49     1.52148   106.17898   112.03693
   62    61 S   HC   _H22    50     1.09180   112.51896   156.18295
   63    61 S   HC   _H23    51     1.09796   109.18745   -87.35731
   64    61 S   CT   _C9_    52     1.54452   104.81564    30.39029
   65    64 S   HC   _H29    53     1.09883   106.66941  -157.73055
   66    53 S   CT   _C14    54     1.56346   107.98688   -28.78508
   67    64 S   CT   _C18    61     1.56641   114.51224    82.94756
   68    67 S   HC   _H42    62     1.09136   110.19589   -89.00309
   69    66 S   OS   _O18    59     1.46110   106.20474   -32.61698
   70    67 S   CT   _C16    63     1.53628   113.97008    30.89410
   71    70 S   HC   _H36    64     1.09519   111.32987    54.81701
   72    70 S   HC   _H37    65     1.09415   111.43986   -67.05814
   73    70 S   HC   _H38    66     1.09601   110.98686   174.78880
   74    67 S   CT   _C17    67     1.53801   111.89066   152.24248
   75    74 S   HC   _H39    68     1.09512   111.32493   -52.92883
   76    74 S   HC   _H40    69     1.09614   110.93017  -172.75484
   77    74 S   HC   _H41    70     1.08974   112.27165    68.96177
  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  10   5   4   3
  18   8   2   1   1  16   8  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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    66    40    41    44    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    49    53    64    66    40    41    44    45    69    52    46    47    48  
   38    39    42    66    40    41    44    46  
   36    37  
   37  
    0  
   39    42    43    49    50    51    53    66    40    41    44    69    52    46    47    48  
   42    43    49    40    52    46    47    48  
   41    44    45    69    52    67    57    46    42    49    53    54    61    64    65    66  
   44    45    69    53    64    66  
   43    49    50    51    53    54    66    69    52    57    46    47    48  
   49    50    51    53    69    52    46  
   45    69    53    64    66  
   66  
   47    48    49    52  
   48  
    0  
   50    51    53    54    55    56    61    64    66    69    52    57    58    59    60  
   51    53    54    66    52    57  
   53    54    66    52    57  
   53    64    66    69  
   54    55    56    61    62    63    64    65    66    69    67    57    58    59    60  
   55    56    61    62    63    64    65    66    69    67    57    58    59    60  
   56    61    62    63    64    66    57  
   61    62    63    64    66    57  
   58    59    60    61    64    66    69  
   59    60    66  
   60    66  
   66  
   62    63    64    65    66    69    67    68    70    74  
   63    64    65    66    67  
   64    65    66    67  
   65    66    69    67    68    70    71    72    73    74    75    76    77  
   66    69    67    68    70    74  
   69    67    68    70    74  
   68    70    71    72    73    74    75    76    77    69  
   70    71    72    73    74    75    76    77  
    0  
   71    72    73    74    75    76    77  
   72    73    74  
   73    74  
   74  
   75    76    77  
   76    77  
   77  
    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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   48   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   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   2.9000   0.1400  -0.200000   1.5900   1.4000   0.020110767  -0.896042159
   53   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.9000   0.1400  -0.200000   1.5900   1.4000   0.020110767  -0.896042159
   70   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   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   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   268.000  1.529
   33    40   268.000  1.529
   38    39   340.000  1.090
   38    42   268.000  1.529
   38    46   317.000  1.522
   42    43   340.000  1.090
   42    49   268.000  1.529
   42    52   320.000  1.410
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    53   268.000  1.529
   53    54   268.000  1.529
   53    66   268.000  1.529
   53    57   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   268.000  1.529
   64    65   340.000  1.090
   64    66   268.000  1.529
   64    67   268.000  1.529
   66    40   268.000  1.529
   66    69   320.000  1.410
   40    41   340.000  1.090
   40    44   320.000  1.410
   44    45   553.000  0.945
   69    52   245.000  1.492
   67    68   340.000  1.090
   67    70   268.000  1.529
   67    74   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   46    47   570.000  1.229
   46    48   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  111.63000
   29    33    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    58.35000  112.70000
   33    38    46    63.00000  111.10000
   33    40    66    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    44    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    42    43    37.50000  110.70000
   38    42    49    58.35000  112.70000
   38    42    52    50.00000  109.50000
   38    46    47    80.00000  120.40000
   38    46    48    35.00000  115.00000
   42    38    39    37.50000  110.70000
   42    49    50    37.50000  110.70000
   42    49    51    37.50000  110.70000
   42    49    53    58.35000  112.70000
   42    52    69   125.00000  107.00000
   49    42    43    37.50000  110.70000
   49    53    54    58.35000  112.70000
   49    53    66    58.35000  112.70000
   49    53    57    58.35000  112.70000
   51    49    50    33.00000  107.80000
   53    49    50    37.50000  110.70000
   53    49    51    37.50000  110.70000
   53    54    55    37.50000  110.70000
   53    54    56    37.50000  110.70000
   53    54    61    58.35000  112.70000
   53    66    64    58.35000  112.70000
   53    66    40    58.35000  112.70000
   53    66    69    50.00000  109.50000
   53    57    58    37.50000  110.70000
   53    57    59    37.50000  110.70000
   53    57    60    37.50000  110.70000
   54    61    62    37.50000  110.70000
   54    61    63    37.50000  110.70000
   54    61    64    58.35000  112.70000
   56    54    55    33.00000  107.80000
   61    54    55    37.50000  110.70000
   61    54    56    37.50000  110.70000
   61    64    65    37.50000  110.70000
   61    64    66    58.35000  112.70000
   61    64    67    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    37.50000  110.70000
   64    61    63    37.50000  110.70000
   64    66    40    58.35000  112.70000
   64    66    69    50.00000  109.50000
   64    67    68    37.50000  110.70000
   64    67    70    58.35000  112.70000
   64    67    74    58.35000  112.70000
   66    53    54    58.35000  112.70000
   66    64    65    37.50000  110.70000
   66    40    41    37.50000  110.70000
   66    40    44    50.00000  109.50000
   66    69    52   125.00000  107.00000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    44    45    55.00000  108.50000
   44    40    41    35.00000  109.50000
   69    66    40    50.00000  109.50000
   52    42    43    35.00000  109.50000
   52    42    49    50.00000  109.50000
   67    64    65    37.50000  110.70000
   67    64    66    58.35000  112.70000
   67    70    71    37.50000  110.70000
   67    70    72    37.50000  110.70000
   67    70    73    37.50000  110.70000
   67    74    75    37.50000  110.70000
   67    74    76    37.50000  110.70000
   67    74    77    37.50000  110.70000
   70    67    68    37.50000  110.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   74    67    68    37.50000  110.70000
   74    67    70    58.35000  112.70000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   57    53    54    58.35000  112.70000
   57    53    66    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   46    38    39    35.00000  109.50000
   46    38    42    63.00000  111.10000
   48    46    47    35.00000  123.00000
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   0.15000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    38    46   0.56750  1.0 1.0
   29    33    38    46  -0.07550 -1.0 2.0
   29    33    38    46   0.20000  1.0 3.0
   29    33    40    66   0.44750  1.0 1.0
   29    33    40    66  -0.17800 -1.0 2.0
   29    33    40    66   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    49   0.56750  1.0 1.0
   33    38    42    49  -0.07550 -1.0 2.0
   33    38    42    49   0.20000  1.0 3.0
   33    38    42    52   0.62750  1.0 1.0
   33    38    42    52  -0.30950 -1.0 2.0
   33    38    42    52   0.27300  1.0 3.0
   33    38    46    47   0.30150 -1.0 2.0
   33    38    46    48   0.74550  1.0 1.0
   33    38    46    48  -0.00500 -1.0 2.0
   33    40    44    45  -0.11600  1.0 1.0
   33    40    44    45  -0.09450 -1.0 2.0
   33    40    44    45   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    38    46  -0.11250  1.0 3.0
   34    33    40    66   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    44   0.23400  1.0 3.0
   38    33    40    66   0.56750  1.0 1.0
   38    33    40    66  -0.07550 -1.0 2.0
   38    33    40    66   0.20000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    44   0.86500  1.0 1.0
   38    33    40    44  -0.17500 -1.0 2.0
   38    33    40    44   0.20800  1.0 3.0
   38    42    49    50   0.15000  1.0 3.0
   38    42    49    51   0.15000  1.0 3.0
   38    42    49    53   0.56750  1.0 1.0
   38    42    49    53  -0.07550 -1.0 2.0
   38    42    49    53   0.20000  1.0 3.0
   38    42    52    69   0.37500  1.0 3.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    49   0.15000  1.0 3.0
   39    38    42    52   0.23400  1.0 3.0
   39    38    46    47   0.00000  1.0 1.0
   39    38    46    48   0.00000  1.0 1.0
   42    38    46    47   0.30150 -1.0 2.0
   42    38    46    48   0.74550  1.0 1.0
   42    38    46    48  -0.00500 -1.0 2.0
   42    49    53    54   0.56750  1.0 1.0
   42    49    53    54  -0.07550 -1.0 2.0
   42    49    53    54   0.20000  1.0 3.0
   42    49    53    66   0.56750  1.0 1.0
   42    49    53    66  -0.07550 -1.0 2.0
   42    49    53    66   0.20000  1.0 3.0
   42    49    53    57   0.56750  1.0 1.0
   42    49    53    57  -0.07550 -1.0 2.0
   42    49    53    57   0.20000  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    53   0.15000  1.0 3.0
   43    42    52    69   0.37500  1.0 3.0
   49    42    52    69   0.37500  1.0 3.0
   49    53    54    55   0.15000  1.0 3.0
   49    53    54    56   0.15000  1.0 3.0
   49    53    54    61   0.56750  1.0 1.0
   49    53    54    61  -0.07550 -1.0 2.0
   49    53    54    61   0.20000  1.0 3.0
   49    53    66    64   0.56750  1.0 1.0
   49    53    66    64  -0.07550 -1.0 2.0
   49    53    66    64   0.20000  1.0 3.0
   49    53    66    40   0.56750  1.0 1.0
   49    53    66    40  -0.07550 -1.0 2.0
   49    53    66    40   0.20000  1.0 3.0
   49    53   -66    69   0.62750  1.0 1.0
   49    53   -66    69  -0.30950 -1.0 2.0
   49    53   -66    69   0.27300  1.0 3.0
   49    53    57    58   0.15000  1.0 3.0
   49    53    57    59   0.15000  1.0 3.0
   49    53    57    60   0.15000  1.0 3.0
   50    49    53    54   0.15000  1.0 3.0
   50    49    53    66   0.15000  1.0 3.0
   50    49    53    57   0.15000  1.0 3.0
   51    49    53    54   0.15000  1.0 3.0
   51    49    53    66   0.15000  1.0 3.0
   51    49    53    57   0.15000  1.0 3.0
   53    54    61    62   0.15000  1.0 3.0
   53    54    61    63   0.15000  1.0 3.0
   53    54   -61    64   0.56750  1.0 1.0
   53    54   -61    64  -0.07550 -1.0 2.0
   53    54   -61    64   0.20000  1.0 3.0
   53    66    40    33   0.56750  1.0 1.0
   53    66    40    33  -0.07550 -1.0 2.0
   53    66    40    33   0.20000  1.0 3.0
   53    66    40    41   0.15000  1.0 3.0
   53    66    40    44   0.86500  1.0 1.0
   53    66    40    44  -0.17500 -1.0 2.0
   53    66    40    44   0.20800  1.0 3.0
   53    66    69    52   0.37500  1.0 3.0
   54    53   -66    64   0.56750  1.0 1.0
   54    53   -66    64  -0.07550 -1.0 2.0
   54    53   -66    64   0.20000  1.0 3.0
   54    53    66    40   0.56750  1.0 1.0
   54    53    66    40  -0.07550 -1.0 2.0
   54    53    66    40   0.20000  1.0 3.0
   54    53    66    69   0.62750  1.0 1.0
   54    53    66    69  -0.30950 -1.0 2.0
   54    53    66    69   0.27300  1.0 3.0
   54    53    57    58   0.15000  1.0 3.0
   54    53    57    59   0.15000  1.0 3.0
   54    53    57    60   0.15000  1.0 3.0
   54    61    64    65   0.15000  1.0 3.0
   54    61   -64    66   0.56750  1.0 1.0
   54    61   -64    66  -0.07550 -1.0 2.0
   54    61   -64    66   0.20000  1.0 3.0
   54    61    64    67   0.56750  1.0 1.0
   54    61    64    67  -0.07550 -1.0 2.0
   54    61    64    67   0.20000  1.0 3.0
   55    54    61    62   0.15000  1.0 3.0
   55    54    61    63   0.15000  1.0 3.0
   55    54    61    64   0.15000  1.0 3.0
   56    54    61    62   0.15000  1.0 3.0
   56    54    61    63   0.15000  1.0 3.0
   56    54    61    64   0.15000  1.0 3.0
   61    64   -66    53   0.56750  1.0 1.0
   61    64   -66    53  -0.07550 -1.0 2.0
   61    64   -66    53   0.20000  1.0 3.0
   61    64    66    40   0.56750  1.0 1.0
   61    64    66    40  -0.07550 -1.0 2.0
   61    64    66    40   0.20000  1.0 3.0
   61    64    66    69   0.62750  1.0 1.0
   61    64    66    69  -0.30950 -1.0 2.0
   61    64    66    69   0.27300  1.0 3.0
   61    64    67    68   0.15000  1.0 3.0
   61    64    67    70   0.56750  1.0 1.0
   61    64    67    70  -0.07550 -1.0 2.0
   61    64    67    70   0.20000  1.0 3.0
   61    64    67    74   0.56750  1.0 1.0
   61    64    67    74  -0.07550 -1.0 2.0
   61    64    67    74   0.20000  1.0 3.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    66   0.15000  1.0 3.0
   62    61    64    67   0.15000  1.0 3.0
   63    61    64    65   0.15000  1.0 3.0
   63    61    64    66   0.15000  1.0 3.0
   63    61    64    67   0.15000  1.0 3.0
   64    66    40    33   0.56750  1.0 1.0
   64    66    40    33  -0.07550 -1.0 2.0
   64    66    40    33   0.20000  1.0 3.0
   64    66    40    41   0.15000  1.0 3.0
   64    66    40    44   0.86500  1.0 1.0
   64    66    40    44  -0.17500 -1.0 2.0
   64    66    40    44   0.20800  1.0 3.0
   64    66    69    52   0.37500  1.0 3.0
   64    67    70    71   0.15000  1.0 3.0
   64    67    70    72   0.15000  1.0 3.0
   64    67    70    73   0.15000  1.0 3.0
   64    67    74    75   0.15000  1.0 3.0
   64    67    74    76   0.15000  1.0 3.0
   64    67    74    77   0.15000  1.0 3.0
   65    64    66    53   0.15000  1.0 3.0
   65    64    66    40   0.15000  1.0 3.0
   65    64    66    69   0.23400  1.0 3.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    70   0.15000  1.0 3.0
   65    64    67    74   0.15000  1.0 3.0
   66    53    54    55   0.15000  1.0 3.0
   66    53    54    56   0.15000  1.0 3.0
   66    53   -54    61   0.56750  1.0 1.0
   66    53   -54    61  -0.07550 -1.0 2.0
   66    53   -54    61   0.20000  1.0 3.0
   66    53    57    58   0.15000  1.0 3.0
   66    53    57    59   0.15000  1.0 3.0
   66    53    57    60   0.15000  1.0 3.0
   66    64    67    68   0.15000  1.0 3.0
   66    64    67    70   0.56750  1.0 1.0
   66    64    67    70  -0.07550 -1.0 2.0
   66    64    67    70   0.20000  1.0 3.0
   66    64    67    74   0.56750  1.0 1.0
   66    64    67    74  -0.07550 -1.0 2.0
   66    64    67    74   0.20000  1.0 3.0
   66    40    44    45  -0.11600  1.0 1.0
   66    40    44    45  -0.09450 -1.0 2.0
   66    40    44    45   0.21250  1.0 3.0
   66    69   -52    42  -2.50000 -1.0 2.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    42   0.56750  1.0 1.0
   40    33    38    42  -0.07550 -1.0 2.0
   40    33    38    42   0.20000  1.0 3.0
   40    33    38    46  -0.95700  1.0 1.0
   40    33    38    46  -0.18200 -1.0 2.0
   40    33    38    46   0.29450  1.0 3.0
   40    66    69    52   0.37500  1.0 3.0
   41    40    44    45   0.19450  1.0 3.0
   69    66    40    33   0.62750  1.0 1.0
   69    66    40    33  -0.30950 -1.0 2.0
   69    66    40    33   0.27300  1.0 3.0
   69    66    40    41   0.23400  1.0 3.0
   69    66    40    44   3.69350  1.0 1.0
   69    66    40    44  -1.82950 -1.0 2.0
   52    42    49    50   0.23400  1.0 3.0
   52    42    49    51   0.23400  1.0 3.0
   52    42   -49    53   0.62750  1.0 1.0
   52    42   -49    53  -0.30950 -1.0 2.0
   52    42   -49    53   0.27300  1.0 3.0
   67    64    66    53   0.56750  1.0 1.0
   67    64    66    53  -0.07550 -1.0 2.0
   67    64    66    53   0.20000  1.0 3.0
   67    64    66    40   0.56750  1.0 1.0
   67    64    66    40  -0.07550 -1.0 2.0
   67    64    66    40   0.20000  1.0 3.0
   67    64    66    69   0.62750  1.0 1.0
   67    64    66    69  -0.30950 -1.0 2.0
   67    64    66    69   0.27300  1.0 3.0
   68    67    70    71   0.15000  1.0 3.0
   68    67    70    72   0.15000  1.0 3.0
   68    67    70    73   0.15000  1.0 3.0
   68    67    74    75   0.15000  1.0 3.0
   68    67    74    76   0.15000  1.0 3.0
   68    67    74    77   0.15000  1.0 3.0
   70    67    74    75   0.15000  1.0 3.0
   70    67    74    76   0.15000  1.0 3.0
   70    67    74    77   0.15000  1.0 3.0
   74    67    70    71   0.15000  1.0 3.0
   74    67    70    72   0.15000  1.0 3.0
   74    67    70    73   0.15000  1.0 3.0
   57    53    54    55   0.15000  1.0 3.0
   57    53    54    56   0.15000  1.0 3.0
   57    53    54    61   0.56750  1.0 1.0
   57    53    54    61  -0.07550 -1.0 2.0
   57    53    54    61   0.20000  1.0 3.0
   57    53    66    64   0.56750  1.0 1.0
   57    53    66    64  -0.07550 -1.0 2.0
   57    53    66    64   0.20000  1.0 3.0
   57    53    66    40   0.56750  1.0 1.0
   57    53    66    40  -0.07550 -1.0 2.0
   57    53    66    40   0.20000  1.0 3.0
   57    53    66    69   0.62750  1.0 1.0
   57    53    66    69  -0.30950 -1.0 2.0
   57    53    66    69   0.27300  1.0 3.0
   46    38    42    43  -0.11250  1.0 3.0
   46    38    42    49  -0.95700  1.0 1.0
   46    38    42    49  -0.18200 -1.0 2.0
   46    38    42    49   0.29450  1.0 3.0
   46    38    42    52  -0.09450  1.0 1.0
   46    38    42    52  -1.12950 -1.0 2.0
   46    38    42    52   0.54000  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
   38    48    46    47  10.50000 -1.0 2.0
END
