* LIGAND DATABASE FILE (OPLS2005)
*
001      78    78    140    200     401
    1     0 S   NP   _N1_     1    28.86452    94.69280   -20.46329
    2     1 S   H    _HN1     2     1.02960    92.31003    17.97338
    3     1 S   H    _H1_     3     1.02841    33.77771   135.87366
    4     1 S   H    _H2_     4     1.02782    84.65839   -90.19602
    5     1 S   CT   _CA1     5     1.50102   144.04530   148.60433
    6     5 S   HC   _HA1     6     1.09566   105.29998    51.77774
    7     5 S   CO3  _C1_     7     1.53862   112.26730   -68.62887
    8     7 S   O2Z  _O11     8     1.26374   115.03540   -46.04320
    9     7 S   O2Z  _O12     9     1.26230   114.92829   133.20162
   10     5 S   CT   _CB1    10     1.53096   107.45156   169.82540
   11    10 S   HC   HB11    11     1.09822   109.61854   -49.42786
   12    10 S   HC   HB12    12     1.09829   110.27105    67.16467
   13    10 S   CT   _CG1    13     1.53032   112.62180  -170.48081
   14    13 S   HC   HG11    14     1.09597   110.39996   -58.49942
   15    13 S   HC   HG12    15     1.09621   110.13258    60.75743
   16    13 S   C    _CD1    16     1.51787   112.13730  -178.71564
   17    16 S   O    _OE1    17     1.22730   123.21612    -7.29748
   18    16 S   N    _N2_    18     1.38618   111.68468   172.48195
   19    18 S   H    _HN2    19     1.01590   119.10522     2.95247
   20    18 S   CT1  _CA2    20     1.46249   123.28860  -175.22993
   21    20 S   HC   _HA2    21     1.09722   109.40692   -12.50861
   22    20 S   C    _C2_    22     1.53322   108.62959  -128.56395
   23    22 S   O    _O2_    23     1.23022   122.21175  -145.81872
   24    20 S   CT   _CB2    32     1.53460   111.10670   109.33610
   25    24 S   HC   HB21    33     1.09438   109.36329    57.64178
   26    24 S   HC   HB22    34     1.09516   110.55295   176.34907
   27    22 S   N    _N3_    24     1.38496   113.36973    41.57020
   28    27 S   H    _HN3    25     1.01524   118.93832    -0.51851
   29    24 S   S    _SG2    35     1.82759   111.67161   -63.80364
   30    27 S   CT   _CA3    26     1.45438   123.32834   175.05518
   31    30 S   HC   HA31    27     1.09531   109.11020    26.84670
   32    30 S   HC   HA32    28     1.09492   107.15644   143.83628
   33    29 S   CT   _C13    36     1.83356    99.86432   167.80575
   34    33 S   HC   _H4_    37     1.09405   108.70201    40.50269
   35    30 S   CO3  _C3_    29     1.52934   113.19561   -96.53405
   36    35 S   O2Z  _O31    30     1.26396   115.44102   -43.65823
   37    35 S   O2Z  _O32    31     1.26362   114.95876   137.28375
   38    33 S   CO4  _C14    38     1.51684   108.31164   -76.56550
   39    38 S   O    _O33    39     1.22964   122.35340    94.29908
   40    38 S   CM   _C15    40     1.48120   118.24231   -82.89107
   41    40 S   HC   _H16    41     1.08455   117.04559   166.08576
   42    40 S   CM   _C16    42     1.33730   121.54112   -11.26051
   43    42 S   CO4  _C17    43     1.49475   120.74090    -7.22594
   44    43 S   O    _O34    44     1.23007   119.78921   176.93561
   45    42 S   OS   _O35    74     1.38229   120.98907   177.87984
   46    33 S   CT   _C12    45     1.53798   113.48360   161.68363
   47    46 S   HC   _H3_    46     1.10094   107.54086  -177.44182
   48    45 S   CT   _C18    75     1.42743   110.23617   -96.04102
   49    48 S   HC   _H17    76     1.09390   107.95225   179.65170
   50    48 S   HC   _H18    77     1.09549   110.90002    61.32182
   51    48 S   HC   _H19    78     1.09512   111.29705   -61.77753
   52    46 S   CT   _C11    47     1.54248   115.17054   -58.04685
   53    52 S   HC   _H14    48     1.09741   109.68597  -175.93283
   54    52 S   HC   _H15    49     1.09769   110.52434    69.92314
   55    52 S   CM   _C10    50     1.50382   114.16693   -52.39511
   56    55 S   HC   _H13    51     1.08931   114.50689    94.59378
   57    55 S   CM   _C9_    52     1.34722   127.28787   -86.39487
   58    57 S   CT   _C19    53     1.50436   124.29330     1.15267
   59    58 S   HC   _H20    54     1.09416   110.54138   121.36040
   60    58 S   HC   _H21    55     1.09494   110.09510  -118.95393
   61    58 S   HC   _H22    56     1.09269   113.30997     1.38041
   62    57 S   CT   _C8_    57     1.51719   120.20878  -177.13604
   63    62 S   HC   _H11    58     1.09794   108.22819   132.45716
   64    62 S   HC   _H12    59     1.09843   110.49921    17.72425
   65    62 S   CT   _C7_    60     1.53412   114.30130  -106.17879
   66    65 S   HC   _H9_    61     1.09305   110.70854   -54.45007
   67    65 S   HC   _H10    62     1.09787   108.06333  -169.28961
   68    65 S   CM   _C6_    63     1.50460   112.78151    72.67227
   69    68 S   HC   _H8_    64     1.08987   113.87420    66.64214
   70    68 S   CM   _C5_    65     1.34653   128.24523  -115.03602
   71    70 S   CT   _C4_    66     1.50644   120.32667  -177.91381
   72    71 S   HC   _H5_    67     1.09492   110.15600   118.71292
   73    71 S   HC   _H6_    68     1.09511   112.45392    -1.43094
   74    71 S   HC   _H7_    69     1.09412   110.42110  -121.55190
   75    70 S   CT   _C20    70     1.50224   125.35850     2.31139
   76    75 S   HC   _H23    71     1.09525   110.05142   124.14319
   77    75 S   HC   _H24    72     1.09489   110.07234  -116.58487
   78    75 S   HC   _H25    73     1.09149   113.64462     4.31316
  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
  14   7   2   1   1   9   4   7   3  10   9   4   5   7   4   3
   2   1   1   7   4   3  10   3  11   7   3   2   1   8   5   4
   7   4   3  10   3   8   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    46    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    46    47    52  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    46    47    52    53    54    55  
   38    39    40    43    46    47    52  
   36    37  
   37  
    0  
   39    40    41    42    43    46    47    52    45  
   40    41    42    46  
   41    42    43    44    46    45    48  
   42    43    45  
   43    44    46    47    52    45    48    49    50    51  
   44    46    47    52    53    54    55    45    48  
   46    47    52    45  
   48    49    50    51    46  
   47    52    53    54    55    56    57  
   52    53    54    55  
   49    50    51  
   50    51  
   51  
    0  
   53    54    55    56    57    58    62  
   54    55    56    57  
   55    56    57  
   56    57    58    59    60    61    62    63    64    65  
   57    58    62  
   58    59    60    61    62    63    64    65    66    67    68  
   59    60    61    62    63    64    65  
   60    61    62  
   61    62  
   62  
   63    64    65    66    67    68    69    70  
   64    65    66    67    68  
   65    66    67    68  
   66    67    68    69    70    71    75  
   67    68    69    70  
   68    69    70  
   69    70    71    72    73    74    75    76    77    78  
   70    71    75  
   71    72    73    74    75    76    77    78  
   72    73    74    75    76    77    78  
   73    74    75  
   74    75  
   75  
   76    77    78  
   77    78  
   78  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.4200   0.0150   0.060000   1.4250   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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   39   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   43   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   45   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.522
   33    46   268.000  1.529
   38    39   570.000  1.229
   38    40   320.000  1.462
   40    41   340.000  1.080
   40    42   549.000  1.340
   42    43   320.000  1.462
   42    45   440.000  1.360
   43    44   570.000  1.229
   43    46   317.000  1.522
   46    47   340.000  1.090
   46    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   317.000  1.510
   55    56   340.000  1.080
   55    57   549.000  1.340
   57    58   317.000  1.510
   57    62   317.000  1.510
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   317.000  1.510
   68    69   340.000  1.080
   68    70   549.000  1.340
   70    71   317.000  1.510
   70    75   317.000  1.510
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   45    48   320.000  1.410
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  110.18000
   29    33    46    75.00000  111.63000
   33    38    39    80.00000  120.40000
   33    38    40    65.00000  118.62400
   33    46    43    63.00000  111.10000
   33    46    47    37.50000  110.70000
   33    46    52    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    40    41    40.00000  117.72500
   38    40    42    65.00000  118.96000
   40    38    39    80.00000  123.72100
   40    42    43    65.00000  118.96000
   40    42    45    80.00000  120.01400
   42    40    41    35.00000  120.00000
   42    43    44    80.00000  123.72100
   42    43    46    65.00000  118.62400
   42    45    48    90.00000  111.18400
   43    46    47    35.00000  109.50000
   43    46    52    63.00000  111.10000
   46    33    34    37.50000  110.70000
   46    33    38    63.00000  111.10000
   46    43    44    80.00000  120.40000
   46    52    53    37.50000  110.70000
   46    52    54    37.50000  110.70000
   46    52    55    70.00000  112.02700
   52    46    47    37.50000  110.70000
   52    55    56    35.00000  117.00000
   52    55    57    70.00000  124.00000
   54    52    53    33.00000  107.80000
   55    52    53    35.00000  109.50000
   55    52    54    35.00000  109.50000
   55    57    58    70.00000  124.00000
   55    57    62    70.00000  124.00000
   57    55    56    35.00000  120.00000
   57    58    59    35.00000  109.50000
   57    58    60    35.00000  109.50000
   57    58    61    35.00000  109.50000
   57    62    63    35.00000  109.50000
   57    62    64    35.00000  109.50000
   57    62    65    70.00000  112.02700
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   62    57    58    65.00000  117.92700
   62    65    66    37.50000  110.70000
   62    65    67    37.50000  110.70000
   62    65    68    70.00000  112.02700
   64    62    63    33.00000  107.80000
   65    62    63    37.50000  110.70000
   65    62    64    37.50000  110.70000
   65    68    69    35.00000  117.00000
   65    68    70    70.00000  124.00000
   67    65    66    33.00000  107.80000
   68    65    66    35.00000  109.50000
   68    65    67    35.00000  109.50000
   68    70    71    70.00000  124.00000
   68    70    75    70.00000  124.00000
   70    68    69    35.00000  120.00000
   70    71    72    35.00000  109.50000
   70    71    73    35.00000  109.50000
   70    71    74    35.00000  109.50000
   70    75    76    35.00000  109.50000
   70    75    77    35.00000  109.50000
   70    75    78    35.00000  109.50000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   75    70    71    65.00000  117.92700
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   45    42    43    85.00000  116.28000
   45    48    49    35.00000  109.50000
   45    48    50    35.00000  109.50000
   45    48    51    35.00000  109.50000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    46   0.01700  1.0 1.0
   24    29    33    46  -0.23550 -1.0 2.0
   24    29    33    46   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.30150 -1.0 2.0
   29    33    38    40   0.65300  1.0 1.0
   29    33    38    40  -0.03850 -1.0 2.0
   29    33    38    40   0.33900  1.0 3.0
   29    33    46    43   0.56750  1.0 1.0
   29    33    46    43  -0.07550 -1.0 2.0
   29    33    46    43   0.20000  1.0 3.0
   29    33    46    47   0.15000  1.0 3.0
   29    33    46    52   0.44750  1.0 1.0
   29    33    46    52  -0.17800 -1.0 2.0
   29    33    46    52   0.20200  1.0 3.0
   33    38    40    41   0.04550  1.0 1.0
   33    38    40    41   0.83000 -1.0 2.0
   33    38    40    41  -0.04000  1.0 3.0
   33    38    40    42  -0.33500  1.0 1.0
   33    38    40    42   1.06600 -1.0 2.0
   33    38    40    42  -0.14000  1.0 3.0
   33    46    52    53   0.15000  1.0 3.0
   33    46    52    54   0.15000  1.0 3.0
   33    46    52    55   0.34400  1.0 1.0
   33    46    52    55   0.09450 -1.0 2.0
   33    46    52    55   0.11100  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    46    43  -0.11250  1.0 3.0
   34    33    46    47   0.15000  1.0 3.0
   34    33    46    52   0.15000  1.0 3.0
   38    33    46    43   0.11950  1.0 1.0
   38    33    46    43   0.20300 -1.0 2.0
   38    33    46    43  -0.70800  1.0 3.0
   38    33    46    47  -0.11250  1.0 3.0
   38    33    46    52  -0.95700  1.0 1.0
   38    33    46    52  -0.18200 -1.0 2.0
   38    33    46    52   0.29450  1.0 3.0
   38    40   -42    43   7.00000 -1.0 2.0
   38    40    42    45   7.00000 -1.0 2.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    42   1.00000 -1.0 2.0
   40    42    43    44   1.00000 -1.0 2.0
   40    42    43    46  -0.33500  1.0 1.0
   40    42    43    46   1.06600 -1.0 2.0
   40    42    43    46  -0.14000  1.0 3.0
   40    42    45    48  -2.26850  1.0 1.0
   40    42    45    48   3.39050 -1.0 2.0
   41    40    42    43   7.00000 -1.0 2.0
   41    40    42    45   7.00000 -1.0 2.0
   42    43   -46    33   0.65300  1.0 1.0
   42    43   -46    33  -0.03850 -1.0 2.0
   42    43   -46    33   0.33900  1.0 3.0
   42    43    46    47   0.00000  1.0 1.0
   42    43    46    52   0.65300  1.0 1.0
   42    43    46    52  -0.03850 -1.0 2.0
   42    43    46    52   0.33900  1.0 3.0
   42    45    48    49   0.08050  1.0 3.0
   42    45    48    50   0.08050  1.0 3.0
   42    45    48    51   0.08050  1.0 3.0
   43    42    45    48   0.15100 -1.0 2.0
   43    46    52    53  -0.11250  1.0 3.0
   43    46    52    54  -0.11250  1.0 3.0
   43    46    52    55  -0.98800  1.0 1.0
   43    46    52    55   0.48800 -1.0 2.0
   43    46    52    55   0.76800  1.0 3.0
   44    43    46    33   0.30150 -1.0 2.0
   44    43    46    47   0.00000  1.0 1.0
   44    43    46    52   0.30150 -1.0 2.0
   46    33    38    39   0.30150 -1.0 2.0
   46    33   -38    40   0.65300  1.0 1.0
   46    33   -38    40  -0.03850 -1.0 2.0
   46    33   -38    40   0.33900  1.0 3.0
   46    52    55    56   0.00000  1.0 1.0
   46    52    55    57   0.09850  1.0 1.0
   46    52    55    57   0.15250 -1.0 2.0
   46    52    55    57  -0.50650  1.0 3.0
   47    46    52    53   0.15000  1.0 3.0
   47    46    52    54   0.15000  1.0 3.0
   47    46    52    55   0.15000  1.0 3.0
   52    55    57    58   7.00000 -1.0 2.0
   52    55    57    62   7.00000 -1.0 2.0
   53    52    55    56   0.33100  1.0 3.0
   53    52    55    57   0.00000  1.0 1.0
   54    52    55    56   0.33100  1.0 3.0
   54    52    55    57   0.00000  1.0 1.0
   55    57    58    59   0.00000  1.0 1.0
   55    57    58    60   0.00000  1.0 1.0
   55    57    58    61   0.00000  1.0 1.0
   55    57    62    63   0.00000  1.0 1.0
   55    57    62    64   0.00000  1.0 1.0
   55    57    62    65   0.09850  1.0 1.0
   55    57    62    65   0.15250 -1.0 2.0
   55    57    62    65  -0.50650  1.0 3.0
   56    55    57    58   7.00000 -1.0 2.0
   56    55    57    62   7.00000 -1.0 2.0
   57    62    65    66   0.15000  1.0 3.0
   57    62    65    67   0.15000  1.0 3.0
   57    62    65    68   0.31000  1.0 1.0
   57    62    65    68   0.14700 -1.0 2.0
   57    62    65    68   0.07550  1.0 3.0
   58    57    62    63   0.34800  1.0 3.0
   58    57    62    64   0.34800  1.0 3.0
   58    57    62    65   0.46850  1.0 1.0
   58    57    62    65   0.08550 -1.0 2.0
   58    57    62    65   0.09800  1.0 3.0
   62    57    58    59   0.34800  1.0 3.0
   62    57    58    60   0.34800  1.0 3.0
   62    57    58    61   0.34800  1.0 3.0
   62    65    68    69   0.00000  1.0 1.0
   62    65    68    70   0.09850  1.0 1.0
   62    65    68    70   0.15250 -1.0 2.0
   62    65    68    70  -0.50650  1.0 3.0
   63    62    65    66   0.15000  1.0 3.0
   63    62    65    67   0.15000  1.0 3.0
   63    62    65    68   0.15000  1.0 3.0
   64    62    65    66   0.15000  1.0 3.0
   64    62    65    67   0.15000  1.0 3.0
   64    62    65    68   0.15000  1.0 3.0
   65    68    70    71   7.00000 -1.0 2.0
   65    68    70    75   7.00000 -1.0 2.0
   66    65    68    69   0.33100  1.0 3.0
   66    65    68    70   0.00000  1.0 1.0
   67    65    68    69   0.33100  1.0 3.0
   67    65    68    70   0.00000  1.0 1.0
   68    70    71    72   0.00000  1.0 1.0
   68    70    71    73   0.00000  1.0 1.0
   68    70    71    74   0.00000  1.0 1.0
   68    70    75    76   0.00000  1.0 1.0
   68    70    75    77   0.00000  1.0 1.0
   68    70    75    78   0.00000  1.0 1.0
   69    68    70    71   7.00000 -1.0 2.0
   69    68    70    75   7.00000 -1.0 2.0
   71    70    75    76   0.34800  1.0 3.0
   71    70    75    77   0.34800  1.0 3.0
   71    70    75    78   0.34800  1.0 3.0
   75    70    71    72   0.34800  1.0 3.0
   75    70    71    73   0.34800  1.0 3.0
   75    70    71    74   0.34800  1.0 3.0
   45    42    43    44  -0.11900  1.0 1.0
   45    42    43    44   0.76850 -1.0 2.0
   45    42    43    44   0.14100  1.0 3.0
   45    42    43    46   0.32450 -1.0 2.0
   45    42    43    46   0.17400  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    40    38    39  10.50000 -1.0 2.0
   38    41    40    42   1.10000 -1.0 2.0
   43    45    42    40   1.10000 -1.0 2.0
   42    46    43    44  10.50000 -1.0 2.0
   52    56    55    57  15.00000 -1.0 2.0
   58    62    57    55  15.00000 -1.0 2.0
   65    69    68    70  15.00000 -1.0 2.0
   71    75    70    68  15.00000 -1.0 2.0
END
