* LIGAND DATABASE FILE (OPLS2005)
*
001      76    77    146    230     431
    1     0 S   NP   _N1_     1    29.74787    97.93606   -18.39086
    2     1 S   H    _HN1     2     1.02779    71.18173   -75.67592
    3     1 S   H    _H1_     3     1.02949    78.54717    38.47698
    4     1 S   H    _H2_     4     1.02830    57.55141   157.33988
    5     1 S   CT   _CA1     5     1.50148   167.67445   175.99963
    6     5 S   HC   _HA1     6     1.09578   105.12747    42.33718
    7     5 S   CO3  _C1_     7     1.53761   112.52304   -77.66838
    8     7 S   O2Z  _O11     8     1.26362   114.99952   -39.34255
    9     7 S   O2Z  _O12     9     1.26234   114.96163   139.72717
   10     5 S   CT   _CB1    10     1.53105   107.39749   160.21669
   11    10 S   HC   HB11    11     1.09824   109.19176   -49.88060
   12    10 S   HC   HB12    12     1.09814   110.48356    66.69385
   13    10 S   CT   _CG1    13     1.52986   112.70432  -170.95452
   14    13 S   HC   HG11    14     1.09592   110.45637   -68.12317
   15    13 S   HC   HG12    15     1.09675   109.86918    51.04543
   16    13 S   C    _CD1    16     1.51884   112.40932   171.30281
   17    16 S   O    _OE1    17     1.22713   123.33288     3.78719
   18    16 S   N    _N2_    18     1.38597   111.55239  -176.15279
   19    18 S   H    _HN2    19     1.01597   118.84305     0.42842
   20    18 S   CT1  _CA2    20     1.46324   123.66328   178.01377
   21    20 S   HC   _HA2    21     1.09737   109.45474    -7.93266
   22    20 S   C    _C2_    22     1.53447   108.10445  -123.28490
   23    22 S   O    _O2_    23     1.23021   122.45692  -147.10683
   24    20 S   CT   _CB2    32     1.53431   111.24671   114.48472
   25    24 S   HC   HB21    33     1.09282   109.15118    52.81093
   26    24 S   HC   HB22    34     1.09479   110.57540   171.48576
   27    22 S   N    _N3_    24     1.38394   113.42476    40.39334
   28    27 S   H    _HN3    25     1.01635   119.48332    -3.61969
   29    24 S   S    _SG2    35     1.82870   110.85457   -69.63285
   30    27 S   CT   _CA3    26     1.45281   123.15485   176.98526
   31    30 S   HC   HA31    27     1.09551   107.54021   -63.53397
   32    30 S   HC   HA32    28     1.09558   107.93404    52.87618
   33    29 S   CT   _C5_    36     1.87464   102.66558   155.50885
   34    30 S   CO3  _C3_    29     1.52940   114.12231   174.84877
   35    34 S   O2Z  _O31    30     1.26368   116.06161    -0.70859
   36    34 S   O2Z  _O32    31     1.26429   114.41188   179.34329
   37    33 S   CT   _C6_    37     1.55838   110.83324   -64.60179
   38    37 S   HC   _H9_    38     1.09557   109.44399  -174.93245
   39    37 S   HC   _H10    39     1.09830   108.04656    73.16524
   40    33 S   CT   _C18    54     1.56930   105.39011   171.54495
   41    40 S   HC   _H5_    55     1.09259   110.26368    47.06942
   42    33 S   CT   _C4_    73     1.54736   108.24472    54.21014
   43    42 S   HC   _H6_    74     1.09577   112.47905    53.07453
   44    42 S   HC   _H7_    75     1.09547   112.13041   -68.04109
   45    42 S   HC   _H8_    76     1.09540   110.98117   173.28618
   46    37 S   CT   _C7_    40     1.53662   119.97220   -47.89234
   47    46 S   HC   _H11    41     1.09344   111.61487    51.22259
   48    46 S   HC   _H12    42     1.09712   106.58840   165.91679
   49    40 S   OH   _O33    56     1.44187   108.64598   -66.87118
   50    49 S   HO   _H27    57     0.97262   107.44812   169.94318
   51    46 S   C4T  _C8_    43     1.52230   113.44413   -73.62798
   52    51 S   HC   _H3_    44     1.09290   109.79116    67.35012
   53    51 S   C4T  _C9_    45     1.55613   116.85120   -64.75242
   54    53 S   HC   _H4_    46     1.10156   110.80398   -32.95953
   55    51 S   C4T  _C11    64     1.57804   118.47846  -167.29688
   56    53 S   CM   _C14    47     1.49334   119.39439    97.02097
   57    53 S   C4T  _C10    61     1.55188    87.43718  -145.00277
   58    57 S   HC   _H13    62     1.09467   115.19561   142.49225
   59    57 S   HC   _H14    63     1.09764   114.40586   -91.41731
   60    55 S   CT   _C12    65     1.53016   117.76566    28.88033
   61    60 S   HC   _H15    66     1.09490   110.79365   -70.54976
   62    60 S   HC   _H16    67     1.09559   110.76135   169.83846
   63    60 S   HC   _H17    68     1.09471   112.20869    49.92384
   64    55 S   CT   _C13    69     1.52849   113.03340  -102.25496
   65    64 S   HC   _H18    70     1.09524   110.68740    71.33163
   66    64 S   HC   _H19    71     1.09552   111.75150   -48.54909
   67    64 S   HC   _H20    72     1.09525   110.96655  -168.50988
   68    56 S   CT   _C16    48     1.50770   122.04266    18.02299
   69    68 S   HC   _H23    49     1.09542   110.95418    38.51504
   70    68 S   HC   _H24    50     1.09985   107.74950   151.69229
   71    56 S   CM   _C15    58     1.34415   116.97290  -165.16746
   72    71 S   HC   _H21    59     1.08545   121.82614     1.39802
   73    71 S   HC   _H22    60     1.08536   121.27002  -178.67057
   74    68 S   CT   _C17    51     1.54019   114.49426   -89.44888
   75    74 S   HC   _H25    52     1.09902   106.51191  -139.48299
   76    74 S   HC   _H26    53     1.09487   110.43244   -26.38095
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  13   5   4   3
  19   2   1   1  17   7   6  15   7   6   2   1   1  11   5   4
   5   1  18   7  15   7  12  12  12   3   2   7   3   2   1   3
   2   1   1   8   5   4   3   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    40    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    46    74    40    41    49    42    43    44    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    46    47    48    51    68    74    75    76    40    41    49    50    42    43    44    45  
   35    36  
   36  
    0  
   38    39    46    47    48    51    52    53    74    40    41    49    55    42    43    44    45  
   39    46    47    48    51    40    42  
   46    47    48    51    40    42  
   41    49    50    42    43    44    45    46    56    68    69    70    74    75    76  
   49    50    42    68    74    75    76  
   43    44    45    46    49    74  
   44    45  
   45  
    0  
   47    48    51    52    53    54    56    57    55    60    64  
   48    51    52    53    55  
   51    52    53    55  
   50    68    74    75    76  
   74  
   52    53    54    56    68    71    57    58    59    55    60    61    62    63    64    65    66    67  
   53    54    56    57    55    60    64  
   54    56    68    69    70    74    71    72    73    57    58    59    55    60    64  
   56    68    71    57    58    59    55  
   60    61    62    63    64    65    66    67    56    57    58    59  
   68    69    70    74    75    76    71    72    73    57    58    59  
   58    59    60    61    62    63    64    65    66    67    68    71  
   59    60    64  
   60    64  
   61    62    63    64    65    66    67  
   62    63    64  
   63    64  
   64  
   65    66    67  
   66    67  
   67  
    0  
   69    70    74    75    76    71    72    73  
   70    74    75    76    71  
   74    75    76    71  
   72    73    74  
   73  
    0  
   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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.061200   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660  -0.118800   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.117600   1.9750   1.7500   0.005000000  -0.741685710
   56   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.121200   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.121200   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   2.4200   0.0300   0.115000   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
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    40   268.000  1.529
   33    42   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   260.000  1.519
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    55   268.000  1.529
   53    54   340.000  1.090
   53    56   317.000  1.510
   53    57   268.000  1.529
   56    68   317.000  1.510
   56    71   549.000  1.340
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    74   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    40   268.000  1.529
   40    41   340.000  1.090
   40    49   320.000  1.410
   49    50   553.000  0.945
   71    72   340.000  1.080
   71    73   340.000  1.080
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    55   268.000  1.529
   55    60   260.000  1.519
   55    64   260.000  1.519
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    63   340.000  1.090
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    40    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    46    58.35000  112.70000
   33    40    74    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    49    50.00000  109.50000
   33    42    43    37.50000  110.70000
   33    42    44    37.50000  110.70000
   33    42    45    37.50000  110.70000
   37    46    47    37.50000  110.70000
   37    46    48    37.50000  110.70000
   37    46    51    70.00000  112.98000
   39    37    38    33.00000  107.80000
   46    37    38    37.50000  110.70000
   46    37    39    37.50000  110.70000
   46    51    52    45.00000  112.72800
   46    51    53    65.00000  119.52000
   46    51    55    65.00000  119.52000
   48    46    47    33.00000  107.80000
   51    46    47    45.00000  111.22300
   51    46    48    45.00000  111.22300
   51    53    54    37.50000  110.70000
   51    53    56    70.00000  112.02700
   51    53    57    63.00000   92.00000
   51    55    57    63.00000   92.00000
   51    55    60    65.00000  119.52000
   51    55    64    65.00000  119.52000
   53    51    52    37.50000  110.70000
   53    56    68    65.00000  117.92700
   53    56    71    70.00000  124.00000
   53    57    58    37.50000  110.70000
   53    57    59    37.50000  110.70000
   53    57    55    63.00000   92.00000
   56    53    54    35.00000  109.50000
   56    68    69    35.00000  109.50000
   56    68    70    35.00000  109.50000
   56    68    74    70.00000  112.02700
   56    71    72    35.00000  120.00000
   56    71    73    35.00000  120.00000
   68    74    75    37.50000  110.70000
   68    74    76    37.50000  110.70000
   68    74    40    58.35000  112.70000
   70    68    69    33.00000  107.80000
   74    68    69    37.50000  110.70000
   74    68    70    37.50000  110.70000
   74    40    41    37.50000  110.70000
   74    40    49    50.00000  109.50000
   76    74    75    33.00000  107.80000
   40    33    37    58.35000  112.70000
   40    74    75    37.50000  110.70000
   40    74    76    37.50000  110.70000
   40    49    50    55.00000  108.50000
   49    40    41    35.00000  109.50000
   71    56    68    70.00000  124.00000
   73    71    72    35.00000  117.00000
   57    53    54    37.50000  110.70000
   57    53    56    70.00000  112.02700
   57    55    60    65.00000  119.52000
   57    55    64    65.00000  119.52000
   59    57    58    33.00000  107.80000
   55    51    52    37.50000  110.70000
   55    51    53    63.00000   92.00000
   55    57    58    37.50000  110.70000
   55    57    59    37.50000  110.70000
   55    60    61    45.00000  111.22300
   55    60    62    45.00000  111.22300
   55    60    63    45.00000  111.22300
   55    64    65    45.00000  111.22300
   55    64    66    45.00000  111.22300
   55    64    67    45.00000  111.22300
   62    60    61    33.00000  107.80000
   63    60    61    33.00000  107.80000
   63    60    62    33.00000  107.80000
   64    55    60    58.35000  112.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   42    33    37    58.35000  112.70000
   42    33    40    58.35000  112.70000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    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
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    46   0.44750  1.0 1.0
   29    33    37    46  -0.17800 -1.0 2.0
   29    33    37    46   0.20200  1.0 3.0
   29    33    40    74   0.44750  1.0 1.0
   29    33    40    74  -0.17800 -1.0 2.0
   29    33    40    74   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    49   0.56750  1.0 1.0
   29    33    40    49  -0.07550 -1.0 2.0
   29    33    40    49   0.20000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.15000  1.0 3.0
   29    33    42    45   0.15000  1.0 3.0
   33    37    46    47   0.15000  1.0 3.0
   33    37    46    48   0.15000  1.0 3.0
   33    37    46    51   0.31550 -1.0 2.0
   33    37    46    51   0.11250  1.0 3.0
   33    40    49    50  -0.11600  1.0 1.0
   33    40    49    50  -0.09450 -1.0 2.0
   33    40    49    50   0.21250  1.0 3.0
   37    33    40    74   0.56750  1.0 1.0
   37    33    40    74  -0.07550 -1.0 2.0
   37    33    40    74   0.20000  1.0 3.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    49   0.86500  1.0 1.0
   37    33    40    49  -0.17500 -1.0 2.0
   37    33    40    49   0.20800  1.0 3.0
   37    33    42    43   0.15000  1.0 3.0
   37    33    42    44   0.15000  1.0 3.0
   37    33    42    45   0.15000  1.0 3.0
   37    46    51    52   0.15000  1.0 3.0
   37    46    51    53   0.04050  1.0 1.0
   37    46    51    53   0.63700 -1.0 2.0
   37    46    51    53   0.17650  1.0 3.0
   37    46    51    55   0.04050  1.0 1.0
   37    46    51    55   0.63700 -1.0 2.0
   37    46    51    55   0.17650  1.0 3.0
   38    37    46    47   0.15000  1.0 3.0
   38    37    46    48   0.15000  1.0 3.0
   38    37    46    51   0.15000  1.0 3.0
   39    37    46    47   0.15000  1.0 3.0
   39    37    46    48   0.15000  1.0 3.0
   39    37    46    51   0.15000  1.0 3.0
   46    51    53    54   0.15000  1.0 3.0
   46    51    53    56   0.34400  1.0 1.0
   46    51    53    56   0.09450 -1.0 2.0
   46    51    53    56   0.11100  1.0 3.0
   46    51    53    57  -0.70950  1.0 1.0
   46    51    53    57   0.38400 -1.0 2.0
   46    51   -55    57  -0.70950  1.0 1.0
   46    51   -55    57   0.38400 -1.0 2.0
   46    51    55    60   0.56750  1.0 1.0
   46    51    55    60  -0.07550 -1.0 2.0
   46    51    55    60   0.20000  1.0 3.0
   46    51    55    64   0.56750  1.0 1.0
   46    51    55    64  -0.07550 -1.0 2.0
   46    51    55    64   0.20000  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    53   0.00000  1.0 1.0
   47    46    51    55   0.00000  1.0 1.0
   48    46    51    52   0.15000  1.0 3.0
   48    46    51    53   0.00000  1.0 1.0
   48    46    51    55   0.00000  1.0 1.0
   51    53    56    68   0.46850  1.0 1.0
   51    53    56    68   0.08550 -1.0 2.0
   51    53    56    68   0.09800  1.0 3.0
   51    53    56    71   0.09850  1.0 1.0
   51    53    56    71   0.15250 -1.0 2.0
   51    53    56    71  -0.50650  1.0 3.0
   51    53    57    58   0.15000  1.0 3.0
   51    53    57    59   0.15000  1.0 3.0
   51    53   -57    55   0.00000  1.0 1.0
   51    55    60    61   0.00000  1.0 1.0
   51    55    60    62   0.00000  1.0 1.0
   51    55    60    63   0.00000  1.0 1.0
   51    55    64    65   0.00000  1.0 1.0
   51    55    64    66   0.00000  1.0 1.0
   51    55    64    67   0.00000  1.0 1.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    56   0.15000  1.0 3.0
   52    51    53    57   0.15000  1.0 3.0
   52    51   -55    57   0.15000  1.0 3.0
   52    51    55    60   0.15000  1.0 3.0
   52    51    55    64   0.15000  1.0 3.0
   53    51   -55    57   0.00000  1.0 1.0
   53    51    55    60  -0.70950  1.0 1.0
   53    51    55    60   0.38400 -1.0 2.0
   53    51    55    64  -0.70950  1.0 1.0
   53    51    55    64   0.38400 -1.0 2.0
   53    56    68    69   0.34800  1.0 3.0
   53    56    68    70   0.34800  1.0 3.0
   53    56    68    74   0.46850  1.0 1.0
   53    56    68    74   0.08550 -1.0 2.0
   53    56    68    74   0.09800  1.0 3.0
   53    56    71    72   7.00000 -1.0 2.0
   53    56    71    73   7.00000 -1.0 2.0
   53    57   -55    51   0.00000  1.0 1.0
   53    57   -55    60  -0.70950  1.0 1.0
   53    57   -55    60   0.38400 -1.0 2.0
   53    57   -55    64  -0.70950  1.0 1.0
   53    57   -55    64   0.38400 -1.0 2.0
   54    53    56    68   0.34800  1.0 3.0
   54    53    56    71   0.00000  1.0 1.0
   54    53    57    58   0.15000  1.0 3.0
   54    53    57    59   0.15000  1.0 3.0
   54    53    57    55   0.15000  1.0 3.0
   56    53    57    58   0.15000  1.0 3.0
   56    53    57    59   0.15000  1.0 3.0
   56    53    57    55   0.34400  1.0 1.0
   56    53    57    55   0.09450 -1.0 2.0
   56    53    57    55   0.11100  1.0 3.0
   56    68    74    75   0.15000  1.0 3.0
   56    68    74    76   0.15000  1.0 3.0
   56    68    74    40   0.34400  1.0 1.0
   56    68    74    40   0.09450 -1.0 2.0
   56    68    74    40   0.11100  1.0 3.0
   68    56    71    72   7.00000 -1.0 2.0
   68    56    71    73   7.00000 -1.0 2.0
   68    74    40    33   0.56750  1.0 1.0
   68    74    40    33  -0.07550 -1.0 2.0
   68    74    40    33   0.20000  1.0 3.0
   68    74    40    41   0.15000  1.0 3.0
   68    74    40    49   0.86500  1.0 1.0
   68    74    40    49  -0.17500 -1.0 2.0
   68    74    40    49   0.20800  1.0 3.0
   69    68    74    75   0.15000  1.0 3.0
   69    68    74    76   0.15000  1.0 3.0
   69    68    74    40   0.15000  1.0 3.0
   70    68    74    75   0.15000  1.0 3.0
   70    68    74    76   0.15000  1.0 3.0
   70    68    74    40   0.15000  1.0 3.0
   74    40    49    50  -0.11600  1.0 1.0
   74    40    49    50  -0.09450 -1.0 2.0
   74    40    49    50   0.21250  1.0 3.0
   75    74    40    33   0.15000  1.0 3.0
   75    74    40    41   0.15000  1.0 3.0
   75    74    40    49   0.23400  1.0 3.0
   76    74    40    33   0.15000  1.0 3.0
   76    74    40    41   0.15000  1.0 3.0
   76    74    40    49   0.23400  1.0 3.0
   40    33    37    38   0.15000  1.0 3.0
   40    33    37    39   0.15000  1.0 3.0
   40    33    37    46   0.56750  1.0 1.0
   40    33    37    46  -0.07550 -1.0 2.0
   40    33    37    46   0.20000  1.0 3.0
   40    33    42    43   0.15000  1.0 3.0
   40    33    42    44   0.15000  1.0 3.0
   40    33    42    45   0.15000  1.0 3.0
   41    40    49    50   0.19450  1.0 3.0
   71    56    68    69   0.00000  1.0 1.0
   71    56    68    70   0.00000  1.0 1.0
   71    56    68    74   0.09850  1.0 1.0
   71    56    68    74   0.15250 -1.0 2.0
   71    56    68    74  -0.50650  1.0 3.0
   57    53    56    68   0.46850  1.0 1.0
   57    53    56    68   0.08550 -1.0 2.0
   57    53    56    68   0.09800  1.0 3.0
   57    53    56    71   0.09850  1.0 1.0
   57    53    56    71   0.15250 -1.0 2.0
   57    53    56    71  -0.50650  1.0 3.0
   57    55    60    61   0.00000  1.0 1.0
   57    55    60    62   0.00000  1.0 1.0
   57    55    60    63   0.00000  1.0 1.0
   57    55    64    65   0.00000  1.0 1.0
   57    55    64    66   0.00000  1.0 1.0
   57    55    64    67   0.00000  1.0 1.0
   58    57   -55    51   0.15000  1.0 3.0
   58    57    55    60   0.15000  1.0 3.0
   58    57    55    64   0.15000  1.0 3.0
   59    57   -55    51   0.15000  1.0 3.0
   59    57    55    60   0.15000  1.0 3.0
   59    57    55    64   0.15000  1.0 3.0
   55    51   -53    54   0.15000  1.0 3.0
   55    51   -53    56   0.34400  1.0 1.0
   55    51   -53    56   0.09450 -1.0 2.0
   55    51   -53    56   0.11100  1.0 3.0
   55    51   -53    57   0.00000  1.0 1.0
   60    55    64    65   0.15000  1.0 3.0
   60    55    64    66   0.15000  1.0 3.0
   60    55    64    67   0.15000  1.0 3.0
   64    55    60    61   0.15000  1.0 3.0
   64    55    60    62   0.15000  1.0 3.0
   64    55    60    63   0.15000  1.0 3.0
   42    33    37    38   0.15000  1.0 3.0
   42    33    37    39   0.15000  1.0 3.0
   42    33    37    46   0.56750  1.0 1.0
   42    33    37    46  -0.07550 -1.0 2.0
   42    33    37    46   0.20000  1.0 3.0
   42    33    40    74   0.56750  1.0 1.0
   42    33    40    74  -0.07550 -1.0 2.0
   42    33    40    74   0.20000  1.0 3.0
   42    33    40    41   0.15000  1.0 3.0
   42    33    40    49   0.86500  1.0 1.0
   42    33    40    49  -0.17500 -1.0 2.0
   42    33    40    49   0.20800  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
   35    30    34    36  10.50000 -1.0 2.0
   53    68    56    71   1.10000 -1.0 2.0
   72    73    71    56   1.10000 -1.0 2.0
END
