* LIGAND DATABASE FILE (OPLS2005)
*
001      80    82    154    245     461
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02047   102.40841   -42.32978
    3     1 S   H    _H1_     3     1.02101    73.50991    63.74359
    4     1 S   H    _H2_     4     1.02105    40.46833  -146.65946
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08519   110.61667    58.77943
   26    24 S   HC   HB22    34     1.08612   109.94660   179.13182
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C17    36     1.84842    97.30204  -158.13149
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CT   _C12    37     1.56919   113.29970   180.00000
   38    37 S   HC   _H32    38     1.10169   105.23147   156.60312
   39    33 S   CT   _C20    77     1.53443   107.05668   -54.86562
   40    39 S   HC   _H43    78     1.08649   109.45360    54.64059
   41    39 S   HC   _H44    79     1.08607   109.48804   -65.41597
   42    39 S   HC   _H45    80     1.08727   109.41664   174.58934
   43    37 S   CT   _C10    39     1.56604   105.67222   -92.13343
   44    43 S   HC   _H30    40     1.10155   105.90480  -111.58666
   45    37 S   CT   _C14    54     1.54176   117.44409    39.39834
   46    45 S   HC   _H34    55     1.09706   111.02655   -67.30340
   47    43 S   CM   _C4_    41     1.51529   116.80045   131.64747
   48    43 S   CT   _C9_    70     1.54532   105.74162    -0.79770
   49    48 S   HC   _H28    71     1.09317   112.55443    93.96600
   50    48 S   HC   _H29    72     1.09626   110.52322  -145.11257
   51    47 S   CT   _C8_    42     1.50912   115.28542    68.74433
   52    51 S   HC   _H26    43     1.09799   110.23862    37.79826
   53    51 S   HC   _H27    44     1.09918   110.00097   151.67209
   54    47 S   CM   _C6_    67     1.34429   125.49078  -114.41917
   55    54 S   HC   _H24    68     1.07955   120.32441     3.28765
   56    54 S   HC   _H25    69     1.07938   120.31681  -176.72715
   57    33 S   CT   _C16    73     1.54246   108.78540    66.24983
   58    57 S   HC   _H36    74     1.09513   113.74730   -41.92589
   59    51 S   CT   _C15    45     1.53038   113.80963   -86.40217
   60    59 S   HC   _H35    46     1.09573   109.38548   -59.59824
   61    57 S   OH   _O21    75     1.42711   110.72196  -163.18969
   62    61 S   HO   _H46    76     0.96880   106.48101  -173.51865
   63    59 S   CT   _C13    47     1.53599   113.80443    63.68077
   64    63 S   HC   _H33    48     1.09973   109.13510    59.05303
   65    59 S   OS   _O22    60     1.42848   107.35371  -175.68961
   66    63 S   CT   _C11    49     1.53396   113.30857   179.47288
   67    66 S   HC   _H31    50     1.10128   110.96105    37.87370
   68    65 S   CO4  _C7_    61     1.36522   115.60286    87.49794
   69    68 S   O    _O19    62     1.22385   126.25380     0.03956
   70    66 S   CO4  _C5_    51     1.50546   102.26020   152.36122
   71    70 S   O    _O18    52     1.22207   126.05582   163.94581
   72    66 S   CT   _C19    56     1.52181   114.15831   -88.13610
   73    72 S   HC   _H40    57     1.09049   109.98280   -53.89949
   74    72 S   HC   _H41    58     1.08987   109.99074  -173.84821
   75    72 S   HC   _H42    59     1.08990   110.00366    66.10007
   76    68 S   CT   _C18    63     1.49902   109.68255   179.94405
   77    76 S   HC   _H37    64     1.09228   109.84420   -89.92189
   78    76 S   HC   _H38    65     1.09252   109.83305   148.08487
   79    76 S   HC   _H39    66     1.09365   109.30577    29.10980
   80    70 S   OS   _O20    53     1.36207   109.78223   -17.03682
  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
  20   2   1   1  24  10   9   3   2   1  19   8  16   6  14   8
   4   3  12   6   5   3   1   1   3   2  12   5   1   1  12   6
   7   8   7   5   4   6   2   4   2   1   1   3   2   1   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    57    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    45    48    57    58    61    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    47    63    80    45    46    48    49    50    57    58    61    62    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    47    51    59    63    64    66    70    80    45    46    54    48    49    50    57    58    61    39    40    41    42  
   43    44    47    63    80    45    46    48    57    39  
   40    41    42    43    45    48    57    58    61  
   41    42    57  
   42    57  
   57  
   44    47    51    52    53    59    63    80    45    46    54    55    56    48    49    50    57    58    61  
   47    51    45    54    48    49    50    57  
   46    72    65    48    57    47    51    59    60    63    64    66    67    70    71    80  
   59    63    64    66    70    80  
   51    52    53    59    60    63    65    54    55    56    48    49    50    57  
   49    50    57    58    61    62    51    54  
   50    57    58    61  
   57    58    61  
   52    53    59    60    63    64    66    65    68    54    55    56  
   53    59    60    63    65    54  
   59    60    63    65    54  
   55    56    59  
   56  
    0  
   58    61    62  
   61    62  
   60    63    64    66    67    70    80    72    65    68    69    76  
   63    64    66    65    68  
   62  
    0  
   64    66    67    70    71    80    72    73    74    75    65    68  
   66    67    70    80    72    65  
   68    69    76    77    78    79    66  
   67    70    71    80    72    73    74    75  
   70    71    80    72    73    74    75  
   69    76    77    78    79  
   76    77    78    79  
   71    80    72    73    74    75  
   80    72  
   73    74    75    80  
   74    75  
   75  
    0  
   77    78    79  
   78    79  
   79  
    0  
    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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   69   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   70   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   72   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   79   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   80   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
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    57   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    43   268.000  1.529
   37    45   268.000  1.529
   43    44   340.000  1.090
   43    47   317.000  1.510
   43    48   268.000  1.529
   47    51   317.000  1.510
   47    54   549.000  1.340
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    59   268.000  1.529
   59    60   340.000  1.090
   59    63   268.000  1.529
   59    65   320.000  1.410
   63    64   340.000  1.090
   63    66   268.000  1.529
   63    45   268.000  1.529
   66    67   340.000  1.090
   66    70   317.000  1.522
   66    72   268.000  1.529
   70    71   570.000  1.229
   70    80   214.000  1.327
   80    45   320.000  1.410
   45    46   340.000  1.090
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   340.000  1.090
   65    68   214.000  1.327
   68    69   570.000  1.229
   68    76   317.000  1.522
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   54    55   340.000  1.080
   54    56   340.000  1.080
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    57   268.000  1.529
   57    58   340.000  1.090
   57    61   320.000  1.410
   61    62   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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    57    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    43    58.35000  112.70000
   33    37    45    58.35000  112.70000
   33    57    48    58.35000  112.70000
   33    57    58    37.50000  110.70000
   33    57    61    50.00000  109.50000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    37.50000  110.70000
   37    43    47    70.00000  112.02700
   37    43    48    58.35000  112.70000
   37    45    63    58.35000  112.70000
   37    45    80    50.00000  109.50000
   37    45    46    37.50000  110.70000
   43    37    38    37.50000  110.70000
   43    47    51    65.00000  117.92700
   43    47    54    70.00000  124.00000
   43    48    49    37.50000  110.70000
   43    48    50    37.50000  110.70000
   43    48    57    58.35000  112.70000
   47    43    44    35.00000  109.50000
   47    51    52    35.00000  109.50000
   47    51    53    35.00000  109.50000
   47    51    59    70.00000  112.02700
   47    54    55    35.00000  120.00000
   47    54    56    35.00000  120.00000
   51    59    60    37.50000  110.70000
   51    59    63    58.35000  112.70000
   51    59    65    50.00000  109.50000
   53    51    52    33.00000  107.80000
   59    51    52    37.50000  110.70000
   59    51    53    37.50000  110.70000
   59    63    64    37.50000  110.70000
   59    63    66    58.35000  112.70000
   59    63    45    58.35000  112.70000
   59    65    68    83.00000  116.90000
   63    59    60    37.50000  110.70000
   63    66    67    37.50000  110.70000
   63    66    70    63.00000  111.10000
   63    66    72    58.35000  112.70000
   63    45    80    50.00000  109.50000
   63    45    46    37.50000  110.70000
   66    63    64    37.50000  110.70000
   66    70    71    80.00000  120.40000
   66    70    80    81.00000  111.40000
   66    72    73    37.50000  110.70000
   66    72    74    37.50000  110.70000
   66    72    75    37.50000  110.70000
   70    66    67    35.00000  109.50000
   70    80    45    83.00000  116.90000
   80    70    71    83.00000  123.40000
   80    45    46    35.00000  109.50000
   45    37    38    37.50000  110.70000
   45    37    43    58.35000  112.70000
   45    63    64    37.50000  110.70000
   45    63    66    58.35000  112.70000
   72    66    67    37.50000  110.70000
   72    66    70    63.00000  111.10000
   74    72    73    33.00000  107.80000
   75    72    73    33.00000  107.80000
   75    72    74    33.00000  107.80000
   65    59    60    35.00000  109.50000
   65    59    63    50.00000  109.50000
   65    68    69    83.00000  123.40000
   65    68    76    81.00000  111.40000
   68    76    77    35.00000  109.50000
   68    76    78    35.00000  109.50000
   68    76    79    35.00000  109.50000
   76    68    69    80.00000  120.40000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   54    47    51    70.00000  124.00000
   56    54    55    35.00000  117.00000
   48    43    44    37.50000  110.70000
   48    43    47    70.00000  112.02700
   48    57    58    37.50000  110.70000
   48    57    61    50.00000  109.50000
   50    48    49    33.00000  107.80000
   57    33    37    58.35000  112.70000
   57    48    49    37.50000  110.70000
   57    48    50    37.50000  110.70000
   57    61    62    55.00000  108.50000
   61    57    58    35.00000  109.50000
   39    33    37    58.35000  112.70000
   39    33    57    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    43   0.44750  1.0 1.0
   29    33    37    43  -0.17800 -1.0 2.0
   29    33    37    43   0.20200  1.0 3.0
   29    33    37    45   0.44750  1.0 1.0
   29    33    37    45  -0.17800 -1.0 2.0
   29    33    37    45   0.20200  1.0 3.0
   29    33    57    48   0.44750  1.0 1.0
   29    33    57    48  -0.17800 -1.0 2.0
   29    33    57    48   0.20200  1.0 3.0
   29    33    57    58   0.15000  1.0 3.0
   29    33    57    61   0.56750  1.0 1.0
   29    33    57    61  -0.07550 -1.0 2.0
   29    33    57    61   0.20000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    37    43    44   0.15000  1.0 3.0
   33    37    43    47   0.34400  1.0 1.0
   33    37    43    47   0.09450 -1.0 2.0
   33    37    43    47   0.11100  1.0 3.0
   33    37   -43    48   0.56750  1.0 1.0
   33    37   -43    48  -0.07550 -1.0 2.0
   33    37   -43    48   0.20000  1.0 3.0
   33    37    45    63   0.56750  1.0 1.0
   33    37    45    63  -0.07550 -1.0 2.0
   33    37    45    63   0.20000  1.0 3.0
   33    37    45    80   0.62750  1.0 1.0
   33    37    45    80  -0.30950 -1.0 2.0
   33    37    45    80   0.27300  1.0 3.0
   33    37    45    46   0.15000  1.0 3.0
   33    57    61    62  -0.11600  1.0 1.0
   33    57    61    62  -0.09450 -1.0 2.0
   33    57    61    62   0.21250  1.0 3.0
   37    33   -57    48   0.56750  1.0 1.0
   37    33   -57    48  -0.07550 -1.0 2.0
   37    33   -57    48   0.20000  1.0 3.0
   37    33    57    58   0.15000  1.0 3.0
   37    33    57    61   0.86500  1.0 1.0
   37    33    57    61  -0.17500 -1.0 2.0
   37    33    57    61   0.20800  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    43    47    51   0.46850  1.0 1.0
   37    43    47    51   0.08550 -1.0 2.0
   37    43    47    51   0.09800  1.0 3.0
   37    43    47    54   0.09850  1.0 1.0
   37    43    47    54   0.15250 -1.0 2.0
   37    43    47    54  -0.50650  1.0 3.0
   37    43    48    49   0.15000  1.0 3.0
   37    43    48    50   0.15000  1.0 3.0
   37    43   -48    57   0.56750  1.0 1.0
   37    43   -48    57  -0.07550 -1.0 2.0
   37    43   -48    57   0.20000  1.0 3.0
   38    37    43    44   0.15000  1.0 3.0
   38    37    43    47   0.15000  1.0 3.0
   38    37    43    48   0.15000  1.0 3.0
   38    37    45    63   0.15000  1.0 3.0
   38    37    45    80   0.23400  1.0 3.0
   38    37    45    46   0.15000  1.0 3.0
   43    37    45    63   0.56750  1.0 1.0
   43    37    45    63  -0.07550 -1.0 2.0
   43    37    45    63   0.20000  1.0 3.0
   43    37    45    80   0.62750  1.0 1.0
   43    37    45    80  -0.30950 -1.0 2.0
   43    37    45    80   0.27300  1.0 3.0
   43    37    45    46   0.15000  1.0 3.0
   43    47    51    52   0.34800  1.0 3.0
   43    47    51    53   0.34800  1.0 3.0
   43    47    51    59   0.46850  1.0 1.0
   43    47    51    59   0.08550 -1.0 2.0
   43    47    51    59   0.09800  1.0 3.0
   43    47    54    55   7.00000 -1.0 2.0
   43    47    54    56   7.00000 -1.0 2.0
   43    48   -57    33   0.56750  1.0 1.0
   43    48   -57    33  -0.07550 -1.0 2.0
   43    48   -57    33   0.20000  1.0 3.0
   43    48    57    58   0.15000  1.0 3.0
   43    48    57    61   0.86500  1.0 1.0
   43    48    57    61  -0.17500 -1.0 2.0
   43    48    57    61   0.20800  1.0 3.0
   44    43    47    51   0.34800  1.0 3.0
   44    43    47    54   0.00000  1.0 1.0
   44    43    48    49   0.15000  1.0 3.0
   44    43    48    50   0.15000  1.0 3.0
   44    43    48    57   0.15000  1.0 3.0
   47    43    48    49   0.15000  1.0 3.0
   47    43    48    50   0.15000  1.0 3.0
   47    43    48    57   0.34400  1.0 1.0
   47    43    48    57   0.09450 -1.0 2.0
   47    43    48    57   0.11100  1.0 3.0
   47    51    59    60   0.15000  1.0 3.0
   47    51    59    63   0.34400  1.0 1.0
   47    51    59    63   0.09450 -1.0 2.0
   47    51    59    63   0.11100  1.0 3.0
   47    51    59    65   0.61850  1.0 1.0
   47    51    59    65  -0.22750 -1.0 2.0
   47    51    59    65   0.15300  1.0 3.0
   51    47    54    55   7.00000 -1.0 2.0
   51    47    54    56   7.00000 -1.0 2.0
   51    59    63    64   0.15000  1.0 3.0
   51    59    63    66   0.56750  1.0 1.0
   51    59    63    66  -0.07550 -1.0 2.0
   51    59    63    66   0.20000  1.0 3.0
   51    59    63    45   0.56750  1.0 1.0
   51    59    63    45  -0.07550 -1.0 2.0
   51    59    63    45   0.20000  1.0 3.0
   51    59    65    68  -0.25900  1.0 1.0
   51    59    65    68  -0.47000 -1.0 2.0
   51    59    65    68   0.11750  1.0 3.0
   52    51    59    60   0.15000  1.0 3.0
   52    51    59    63   0.15000  1.0 3.0
   52    51    59    65   0.23400  1.0 3.0
   53    51    59    60   0.15000  1.0 3.0
   53    51    59    63   0.15000  1.0 3.0
   53    51    59    65   0.23400  1.0 3.0
   59    63    66    67   0.15000  1.0 3.0
   59    63    66    70  -0.95700  1.0 1.0
   59    63    66    70  -0.18200 -1.0 2.0
   59    63    66    70   0.29450  1.0 3.0
   59    63    66    72   0.56750  1.0 1.0
   59    63    66    72  -0.07550 -1.0 2.0
   59    63    66    72   0.20000  1.0 3.0
   59    63    45    37   0.56750  1.0 1.0
   59    63    45    37  -0.07550 -1.0 2.0
   59    63    45    37   0.20000  1.0 3.0
   59    63    45    80   0.62750  1.0 1.0
   59    63    45    80  -0.30950 -1.0 2.0
   59    63    45    80   0.27300  1.0 3.0
   59    63    45    46   0.15000  1.0 3.0
   59    65    68    69   3.00000 -1.0 2.0
   59    65    68    76   1.63150  1.0 1.0
   59    65    68    76   2.92000 -1.0 2.0
   60    59    63    64   0.15000  1.0 3.0
   60    59    63    66   0.15000  1.0 3.0
   60    59    63    45   0.15000  1.0 3.0
   60    59    65    68   0.08050  1.0 3.0
   63    59    65    68  -0.25900  1.0 1.0
   63    59    65    68  -0.47000 -1.0 2.0
   63    59    65    68   0.11750  1.0 3.0
   63    66    70    71   0.30150 -1.0 2.0
   63    66   -70    80   0.36750  1.0 3.0
   63    66    72    73   0.15000  1.0 3.0
   63    66    72    74   0.15000  1.0 3.0
   63    66    72    75   0.15000  1.0 3.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    70  -0.11250  1.0 3.0
   64    63    66    72   0.15000  1.0 3.0
   64    63    45    37   0.15000  1.0 3.0
   64    63    45    80   0.23400  1.0 3.0
   64    63    45    46   0.15000  1.0 3.0
   66    63    45    37   0.56750  1.0 1.0
   66    63    45    37  -0.07550 -1.0 2.0
   66    63    45    37   0.20000  1.0 3.0
   66    63   -45    80   0.62750  1.0 1.0
   66    63   -45    80  -0.30950 -1.0 2.0
   66    63   -45    80   0.27300  1.0 3.0
   66    63    45    46   0.15000  1.0 3.0
   66    70   -80    45   1.63150  1.0 1.0
   66    70   -80    45   2.92000 -1.0 2.0
   67    66    70    71   0.00000  1.0 1.0
   67    66    70    80   0.00000  1.0 1.0
   67    66    72    73   0.15000  1.0 3.0
   67    66    72    74   0.15000  1.0 3.0
   67    66    72    75   0.15000  1.0 3.0
   70    66    72    73  -0.11250  1.0 3.0
   70    66    72    74  -0.11250  1.0 3.0
   70    66    72    75  -0.11250  1.0 3.0
   70    80    45    37  -0.25900  1.0 1.0
   70    80    45    37  -0.47000 -1.0 2.0
   70    80    45    37   0.11750  1.0 3.0
   70    80   -45    63  -0.25900  1.0 1.0
   70    80   -45    63  -0.47000 -1.0 2.0
   70    80   -45    63   0.11750  1.0 3.0
   70    80    45    46   0.08050  1.0 3.0
   71    70    80    45   3.00000 -1.0 2.0
   45    37    43    44   0.15000  1.0 3.0
   45    37    43    47   0.34400  1.0 1.0
   45    37    43    47   0.09450 -1.0 2.0
   45    37    43    47   0.11100  1.0 3.0
   45    37    43    48   0.56750  1.0 1.0
   45    37    43    48  -0.07550 -1.0 2.0
   45    37    43    48   0.20000  1.0 3.0
   45    63    66    67   0.15000  1.0 3.0
   45    63   -66    70  -0.95700  1.0 1.0
   45    63   -66    70  -0.18200 -1.0 2.0
   45    63   -66    70   0.29450  1.0 3.0
   45    63    66    72   0.56750  1.0 1.0
   45    63    66    72  -0.07550 -1.0 2.0
   45    63    66    72   0.20000  1.0 3.0
   72    66    70    71   0.30150 -1.0 2.0
   72    66    70    80   0.36750  1.0 3.0
   65    59    63    64   0.23400  1.0 3.0
   65    59    63    66   0.62750  1.0 1.0
   65    59    63    66  -0.30950 -1.0 2.0
   65    59    63    66   0.27300  1.0 3.0
   65    59    63    45   0.62750  1.0 1.0
   65    59    63    45  -0.30950 -1.0 2.0
   65    59    63    45   0.27300  1.0 3.0
   65    68    76    77   0.00000  1.0 1.0
   65    68    76    78   0.00000  1.0 1.0
   65    68    76    79   0.00000  1.0 1.0
   69    68    76    77   0.00000  1.0 1.0
   69    68    76    78   0.00000  1.0 1.0
   69    68    76    79   0.00000  1.0 1.0
   54    47    51    52   0.00000  1.0 1.0
   54    47    51    53   0.00000  1.0 1.0
   54    47    51    59   0.09850  1.0 1.0
   54    47    51    59   0.15250 -1.0 2.0
   54    47    51    59  -0.50650  1.0 3.0
   48    43    47    51   0.46850  1.0 1.0
   48    43    47    51   0.08550 -1.0 2.0
   48    43    47    51   0.09800  1.0 3.0
   48    43    47    54   0.09850  1.0 1.0
   48    43    47    54   0.15250 -1.0 2.0
   48    43    47    54  -0.50650  1.0 3.0
   48    57    61    62  -0.11600  1.0 1.0
   48    57    61    62  -0.09450 -1.0 2.0
   48    57    61    62   0.21250  1.0 3.0
   49    48    57    33   0.15000  1.0 3.0
   49    48    57    58   0.15000  1.0 3.0
   49    48    57    61   0.23400  1.0 3.0
   50    48    57    33   0.15000  1.0 3.0
   50    48    57    58   0.15000  1.0 3.0
   50    48    57    61   0.23400  1.0 3.0
   57    33    37    38   0.15000  1.0 3.0
   57    33   -37    43   0.56750  1.0 1.0
   57    33   -37    43  -0.07550 -1.0 2.0
   57    33   -37    43   0.20000  1.0 3.0
   57    33    37    45   0.56750  1.0 1.0
   57    33    37    45  -0.07550 -1.0 2.0
   57    33    37    45   0.20000  1.0 3.0
   57    33    39    40   0.15000  1.0 3.0
   57    33    39    41   0.15000  1.0 3.0
   57    33    39    42   0.15000  1.0 3.0
   58    57    61    62   0.19450  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    43   0.56750  1.0 1.0
   39    33    37    43  -0.07550 -1.0 2.0
   39    33    37    43   0.20000  1.0 3.0
   39    33    37    45   0.56750  1.0 1.0
   39    33    37    45  -0.07550 -1.0 2.0
   39    33    37    45   0.20000  1.0 3.0
   39    33    57    48   0.56750  1.0 1.0
   39    33    57    48  -0.07550 -1.0 2.0
   39    33    57    48   0.20000  1.0 3.0
   39    33    57    58   0.15000  1.0 3.0
   39    33    57    61   0.86500  1.0 1.0
   39    33    57    61  -0.17500 -1.0 2.0
   39    33    57    61   0.20800  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
   36    30    34    35  10.50000 -1.0 2.0
   43    51    47    54   1.10000 -1.0 2.0
   66    80    70    71  10.50000 -1.0 2.0
   65    76    68    69  10.50000 -1.0 2.0
   55    56    54    47   1.10000 -1.0 2.0
END
