* LIGAND DATABASE FILE (OPLS2005)
*
001      84    87    154    252     462
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02100   103.04848   -40.07519
    3     1 S   H    _H1_     3     1.02053    72.04095    65.64616
    4     1 S   H    _H2_     4     1.02098    41.59140  -143.58781
    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   110.56213    58.83396
   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   _C22    36     1.84298    97.50631  -158.12166
   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   _C18    37     1.54243   109.57853   159.98424
   38    37 S   HC   _H37    38     1.09798   110.43065    57.09758
   39    33 S   CT   _C20    68     1.54886   109.18684   -78.46781
   40    39 S   HC   _H39    69     1.09741   110.19685   -54.35571
   41    33 S   OH   _O29    83     1.43005   109.79555    40.78668
   42    41 S   HO   _H50    84     0.96846   106.23085   179.80317
   43    37 S   CO4  _C15    39     1.52637   109.61704   173.92065
   44    43 S   O    _O23    40     1.23111   121.95240   127.62173
   45    39 S   OS   _O30    70     1.42993   109.89064    63.84572
   46    37 S   CO4  _C16    77     1.50567   112.32193   -61.39658
   47    46 S   O    _O24    78     1.23004   121.62589   -59.18131
   48    43 S   CT   _C21    41     1.52647   116.14965   -54.83249
   49    45 S   CT   _C24    71     1.41814   111.22894    82.10226
   50    49 S   HC   _H43    72     1.09279   109.48639   180.00000
   51    49 S   HC   _H44    73     1.09290   109.49162    59.24326
   52    49 S   HC   _H45    74     1.09173   108.94938   -60.40089
   53    46 S   CT   _C23    79     1.50394   116.70678   120.92701
   54    53 S   HC   _H40    80     1.09387   109.73778    90.01312
   55    53 S   HC   _H41    81     1.09300   109.63755   -29.47939
   56    53 S   HC   _H42    82     1.09373   109.60993  -150.52735
   57    48 S   CO4  _C14    42     1.52380   112.93239   -71.85673
   58    57 S   O    _O22    43     1.22897   119.90047   -28.61086
   59    48 S   OH   _O28    75     1.42323   108.00324   172.42850
   60    59 S   HO   _H49    76     0.96984   106.64931    60.78243
   61    57 S   CA   _C9_    44     1.48605   118.49360   153.63240
   62    61 S   CA   _C10    45     1.39827   120.37925    -2.93412
   63    61 S   CA   _C13    56     1.40115   119.27781   177.41608
   64    62 S   CA   _C4_    46     1.40354   118.98449   179.08936
   65    64 S   HA   _H32    47     1.08910   119.08521  -178.94705
   66    63 S   OH   _O27    57     1.36860   119.61872     0.12972
   67    66 S   HO   _H48    58     0.96779   109.85986     0.15451
   68    62 S   CT   _C17    63     1.50446   121.80235     1.44212
   69    68 S   HC   _H35    64     1.09713   107.74854    94.58319
   70    68 S   HC   _H36    65     1.09664   110.11854  -149.65725
   71    64 S   CA   _C7_    48     1.40420   121.35205     1.19042
   72    48 S   CT   _C19    66     1.53342   109.09096    54.24714
   73    72 S   HC   _H38    67     1.10077   109.00730    65.94418
   74    71 S   CA   _C5_    49     1.40466   121.44149   179.56479
   75    74 S   HA   _H33    50     1.08861   120.14248    -0.01978
   76    74 S   CA   _C11    51     1.39552   120.71327  -179.94766
   77    76 S   CA   _C6_    52     1.39129   120.00996    -0.03956
   78    77 S   HA   _H34    53     1.08750   119.84863   179.95577
   79    76 S   OH   _O25    61     1.36098   119.94792   180.00000
   80    79 S   HO   _H46    62     0.97071   110.29069    -0.06561
   81    77 S   CA   _C12    54     1.39562   119.99753     0.03426
   82    71 S   CA   _C8_    55     1.41295   119.25027    -0.44893
   83    81 S   OH   _O26    59     1.36604   116.11148   179.98022
   84    83 S   HO   _H47    60     0.96857   110.03110    -0.01978
  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  11   5   4   3
  17   2   1   1  18   8  19   7   5   1  13   5   8   6   4  12
   4   2   1   1   3   2   1   1  12   5   5   1  13  12  10  11
   4   4   1   5   3   2   8   1   1   8   4   7   7   4   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    72    39    40    45    46    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    48    68    72    73    39    40    45    49    46    47    53    41    42  
   35    36  
   36  
    0  
   38    43    44    48    57    72    39    40    45    59    46    47    53    54    55    56    41    42  
   43    44    48    39    46    47    53    41  
   40    45    49    50    51    52    59    46    41    42    43    48    57    62    68    69    70    72    73  
   45    49    41    48    68    72    73  
   42    43    45    46    72  
    0  
   44    48    57    58    61    68    72    73    59    60    46    47    53  
   48    57    72    59    46  
   49    50    51    52    48    68    72    73  
   47    53    54    55    56    48  
   53    54    55    56  
   57    58    61    62    63    68    69    70    72    73    59    60  
   50    51    52    72  
   51    52  
   52  
    0  
   54    55    56  
   55    56  
   56  
    0  
   58    61    62    64    82    63    66    68    72    73    59    60  
   61    62    63    72    59  
   60    61    68    72    73  
   72  
   62    64    65    71    81    82    63    66    67    68    69    70    72  
   64    65    71    74    82    63    66    68    69    70    72    73  
   66    67    83    68    64    71    74    77    81    82  
   65    71    74    75    76    81    82    68    69    70    72  
   71    74    82    68  
   67    71    81    82  
   82  
   69    70    72    73    71  
   70    72    73  
   72    73  
   74    75    76    77    81    82    83    79  
   73  
    0  
   75    76    77    78    81    82    79    80  
   76    77    82    79  
   77    78    81    82    83    79    80  
   78    81    82    83    84    79    80  
   81    82    83    79  
   80    81  
    0  
   82    83    84  
   83    84  
   84  
    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   0.432500   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   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   42   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   46   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   48   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   60   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   65   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   66   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.5000   0.0660  -0.005000   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   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   76   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   77   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   78   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   79   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   80   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   81   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   82   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   83   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
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    39   268.000  1.529
   33    41   320.000  1.410
   37    38   340.000  1.090
   37    43   317.000  1.522
   37    46   317.000  1.522
   43    44   570.000  1.229
   43    48   317.000  1.522
   48    57   317.000  1.522
   48    72   268.000  1.529
   48    59   320.000  1.410
   57    58   570.000  1.229
   57    61   310.000  1.470
   61    62   469.000  1.400
   61    63   469.000  1.400
   62    64   469.000  1.400
   62    68   317.000  1.510
   64    65   367.000  1.080
   64    71   469.000  1.400
   71    74   469.000  1.400
   71    82   469.000  1.400
   74    75   367.000  1.080
   74    76   469.000  1.400
   76    77   469.000  1.400
   76    79   450.000  1.364
   77    78   367.000  1.080
   77    81   469.000  1.400
   81    82   469.000  1.400
   81    83   450.000  1.364
   82    63   469.000  1.400
   63    66   450.000  1.364
   66    67   553.000  0.945
   83    84   553.000  0.945
   79    80   553.000  0.945
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    72   268.000  1.529
   72    73   340.000  1.090
   72    39   268.000  1.529
   39    40   340.000  1.090
   39    45   320.000  1.410
   45    49   320.000  1.410
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   59    60   553.000  0.945
   46    47   570.000  1.229
   46    53   317.000  1.522
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   41    42   553.000  0.945
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    39    75.00000  111.63000
   29    33    41    85.00000  114.68000
   33    37    38    37.50000  110.70000
   33    37    43    63.00000  111.10000
   33    37    46    63.00000  111.10000
   33    39    72    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    45    50.00000  109.50000
   33    41    42    55.00000  108.50000
   37    43    44    80.00000  120.40000
   37    43    48    70.00000  116.00000
   37    46    47    80.00000  120.40000
   37    46    53    70.00000  116.00000
   43    37    38    35.00000  109.50000
   43    48    57    75.00000  107.99600
   43    48    72    63.00000  111.10000
   43    48    59    90.00000  109.61100
   48    43    44    80.00000  120.40000
   48    57    58    80.00000  120.40000
   48    57    61    65.00000  115.47100
   48    72    68    58.35000  112.70000
   48    72    73    37.50000  110.70000
   48    72    39    58.35000  112.70000
   48    59    60    55.00000  108.50000
   57    61    62    60.00000  119.52600
   57    61    63    60.00000  119.52600
   61    57    58    75.00000  123.78400
   61    62    64    63.00000  120.00000
   61    62    68    70.00000  120.00000
   61    63    82    63.00000  120.00000
   61    63    66    70.00000  120.00000
   62    64    65    35.00000  120.00000
   62    64    71    63.00000  120.00000
   62    68    69    35.00000  109.50000
   62    68    70    35.00000  109.50000
   62    68    72    70.00000  112.17500
   64    71    74    63.00000  120.00000
   64    71    82    63.00000  120.00000
   71    64    65    35.00000  120.00000
   71    74    75    35.00000  120.00000
   71    74    76    63.00000  120.00000
   71    82    81    63.00000  120.00000
   71    82    63    63.00000  120.00000
   74    76    77    63.00000  120.00000
   74    76    79    70.00000  120.00000
   76    74    75    35.00000  120.00000
   76    77    78    35.00000  120.00000
   76    77    81    63.00000  120.00000
   76    79    80    35.00000  113.00000
   77    81    82    63.00000  120.00000
   77    81    83    70.00000  120.00000
   81    77    78    35.00000  120.00000
   81    82    63    63.00000  120.00000
   81    83    84    35.00000  113.00000
   82    71    74    63.00000  120.00000
   82    63    66    70.00000  120.00000
   63    61    62    63.00000  120.00000
   63    66    67    35.00000  113.00000
   83    81    82    70.00000  120.00000
   79    76    77    70.00000  120.00000
   68    62    64    70.00000  120.00000
   68    72    73    37.50000  110.70000
   68    72    39    58.35000  112.70000
   70    68    69    33.00000  107.80000
   72    48    57    63.00000  111.10000
   72    68    69    37.50000  110.70000
   72    68    70    37.50000  110.70000
   72    39    40    37.50000  110.70000
   72    39    45    50.00000  109.50000
   39    33    37    58.35000  112.70000
   39    72    73    37.50000  110.70000
   39    45    49    60.00000  109.50000
   45    39    40    35.00000  109.50000
   45    49    50    35.00000  109.50000
   45    49    51    35.00000  109.50000
   45    49    52    35.00000  109.50000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   59    48    57    90.00000  109.61100
   59    48    72    50.00000  109.50000
   46    37    38    35.00000  109.50000
   46    37    43    75.00000  107.99600
   46    53    54    35.00000  109.50000
   46    53    55    35.00000  109.50000
   46    53    56    35.00000  109.50000
   53    46    47    80.00000  120.40000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   41    33    37    50.00000  109.50000
   41    33    39    50.00000  109.50000
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    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
   24    29    33    41   0.13850  1.0 1.0
   24    29    33    41  -1.34450 -1.0 2.0
   24    29    33    41   0.57400  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   0.56750  1.0 1.0
   29    33    37    43  -0.07550 -1.0 2.0
   29    33    37    43   0.20000  1.0 3.0
   29    33    37    46   0.56750  1.0 1.0
   29    33    37    46  -0.07550 -1.0 2.0
   29    33    37    46   0.20000  1.0 3.0
   29    33    39    72   0.44750  1.0 1.0
   29    33    39    72  -0.17800 -1.0 2.0
   29    33    39    72   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    45   0.56750  1.0 1.0
   29    33    39    45  -0.07550 -1.0 2.0
   29    33    39    45   0.20000  1.0 3.0
   29    33    41    42   0.35600  1.0 1.0
   29    33    41    42  -0.10750 -1.0 2.0
   29    33    41    42  -0.54400  1.0 3.0
   33    37    43    44   0.30150 -1.0 2.0
   33    37    43    48   0.60050  1.0 1.0
   33    37    43    48   0.05600 -1.0 2.0
   33    37    43    48   0.26150  1.0 3.0
   33    37    46    47   0.30150 -1.0 2.0
   33    37    46    53   0.60050  1.0 1.0
   33    37    46    53   0.05600 -1.0 2.0
   33    37    46    53   0.26150  1.0 3.0
   33    39    45    49   0.06250  1.0 1.0
   33    39    45    49  -0.01100 -1.0 2.0
   33    39    45    49   0.28050  1.0 3.0
   37    33    39    72   0.56750  1.0 1.0
   37    33    39    72  -0.07550 -1.0 2.0
   37    33    39    72   0.20000  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    45   0.62750  1.0 1.0
   37    33    39    45  -0.30950 -1.0 2.0
   37    33    39    45   0.27300  1.0 3.0
   37    33    41    42  -0.11600  1.0 1.0
   37    33    41    42  -0.09450 -1.0 2.0
   37    33    41    42   0.21250  1.0 3.0
   37    43    48    57   0.65300  1.0 1.0
   37    43    48    57  -0.03850 -1.0 2.0
   37    43    48    57   0.33900  1.0 3.0
   37    43   -48    72   0.60050  1.0 1.0
   37    43   -48    72   0.05600 -1.0 2.0
   37    43   -48    72   0.26150  1.0 3.0
   37    43    48    59   0.55300  1.0 1.0
   37    43    48    59   1.25850 -1.0 2.0
   37    43    48    59  -0.23600  1.0 3.0
   37    46    53    54   0.00000  1.0 1.0
   37    46    53    55   0.00000  1.0 1.0
   37    46    53    56   0.00000  1.0 1.0
   38    37    43    44   0.00000  1.0 1.0
   38    37    43    48   0.00000  1.0 1.0
   38    37    46    47   0.00000  1.0 1.0
   38    37    46    53   0.00000  1.0 1.0
   43    37    46    47   0.30150 -1.0 2.0
   43    37    46    53   0.65300  1.0 1.0
   43    37    46    53  -0.03850 -1.0 2.0
   43    37    46    53   0.33900  1.0 3.0
   43    48    57    58   0.30150 -1.0 2.0
   43    48    57    61   0.65300  1.0 1.0
   43    48    57    61  -0.03850 -1.0 2.0
   43    48    57    61   0.33900  1.0 3.0
   43    48    72    68  -0.95700  1.0 1.0
   43    48    72    68  -0.18200 -1.0 2.0
   43    48    72    68   0.29450  1.0 3.0
   43    48    72    73  -0.11250  1.0 3.0
   43    48    72    39  -0.95700  1.0 1.0
   43    48    72    39  -0.18200 -1.0 2.0
   43    48    72    39   0.29450  1.0 3.0
   43    48    59    60   0.91850  1.0 1.0
   43    48    59    60   0.57950  1.0 3.0
   44    43    48    57   0.30150 -1.0 2.0
   44    43    48    72   0.30150 -1.0 2.0
   44    43    48    59   0.30150 -1.0 2.0
   48    57    61    62   2.26350  1.0 1.0
   48    57    61    62   0.76750 -1.0 2.0
   48    57    61    62   0.22500  1.0 3.0
   48    57    61    63   2.26350  1.0 1.0
   48    57    61    63   0.76750 -1.0 2.0
   48    57    61    63   0.22500  1.0 3.0
   48    72   -39    33   0.56750  1.0 1.0
   48    72   -39    33  -0.07550 -1.0 2.0
   48    72   -39    33   0.20000  1.0 3.0
   48    72    39    40   0.15000  1.0 3.0
   48    72    39    45   0.62750  1.0 1.0
   48    72    39    45  -0.30950 -1.0 2.0
   48    72    39    45   0.27300  1.0 3.0
   57    48    72    68  -0.95700  1.0 1.0
   57    48    72    68  -0.18200 -1.0 2.0
   57    48    72    68   0.29450  1.0 3.0
   57    48    72    73  -0.11250  1.0 3.0
   57    48    72    39  -0.95700  1.0 1.0
   57    48    72    39  -0.18200 -1.0 2.0
   57    48    72    39   0.29450  1.0 3.0
   57    48    59    60   0.91850  1.0 1.0
   57    48    59    60   0.57950  1.0 3.0
   57    61    62    64   3.62500 -1.0 2.0
   57    61   -62    68   3.62500 -1.0 2.0
   57    61    63    82   3.62500 -1.0 2.0
   57    61    63    66   3.62500 -1.0 2.0
   58    57    61    62   1.05000 -1.0 2.0
   58    57    61    63   1.05000 -1.0 2.0
   61    62    64    65   3.62500 -1.0 2.0
   61    62    64    71   3.62500 -1.0 2.0
   61    62    68    69   0.00000  1.0 1.0
   61    62    68    70   0.00000  1.0 1.0
   61    62    68    72   0.04150 -1.0 2.0
   61    63    66    67   0.84100 -1.0 2.0
   62    61    63    82   3.62500 -1.0 2.0
   62    61    63    66   3.62500 -1.0 2.0
   62    64    71    74   3.62500 -1.0 2.0
   62    64   -71    82   3.62500 -1.0 2.0
   62    68   -72    48  -0.03700  1.0 1.0
   62    68   -72    48   0.37200 -1.0 2.0
   62    68   -72    48  -0.47300  1.0 3.0
   62    68    72    73   0.43200  1.0 3.0
   62    68    72    39  -0.03700  1.0 1.0
   62    68    72    39   0.37200 -1.0 2.0
   62    68    72    39  -0.47300  1.0 3.0
   64    62    68    69   0.00000  1.0 1.0
   64    62    68    70   0.00000  1.0 1.0
   64    62    68    72   0.04150 -1.0 2.0
   64    71    74    75   3.62500 -1.0 2.0
   64    71    74    76   3.62500 -1.0 2.0
   64    71    82    81   3.62500 -1.0 2.0
   64    71    82    63   3.62500 -1.0 2.0
   65    64    71    74   3.62500 -1.0 2.0
   65    64    71    82   3.62500 -1.0 2.0
   71    74    76    77   3.62500 -1.0 2.0
   71    74    76    79   3.62500 -1.0 2.0
   71    82   -63    61   3.62500 -1.0 2.0
   71    82    63    66   3.62500 -1.0 2.0
   74    71    82    81   3.62500 -1.0 2.0
   74    71    82    63   3.62500 -1.0 2.0
   74    76    77    78   3.62500 -1.0 2.0
   74    76   -77    81   3.62500 -1.0 2.0
   74    76    79    80   0.84100 -1.0 2.0
   75    74    76    77   3.62500 -1.0 2.0
   75    74    76    79   3.62500 -1.0 2.0
   76    77    81    82   3.62500 -1.0 2.0
   76    77    81    83   3.62500 -1.0 2.0
   77    76    79    80   0.84100 -1.0 2.0
   77    81   -82    71   3.62500 -1.0 2.0
   77    81    82    63   3.62500 -1.0 2.0
   77    81    83    84   0.84100 -1.0 2.0
   78    77    81    82   3.62500 -1.0 2.0
   78    77    81    83   3.62500 -1.0 2.0
   81    82    63    61   3.62500 -1.0 2.0
   81    82    63    66   3.62500 -1.0 2.0
   82    71    74    75   3.62500 -1.0 2.0
   82    71   -74    76   3.62500 -1.0 2.0
   82    81    83    84   0.84100 -1.0 2.0
   82    63    66    67   0.84100 -1.0 2.0
   63    61   -62    64   3.62500 -1.0 2.0
   63    61    62    68   3.62500 -1.0 2.0
   83    81    82    71   3.62500 -1.0 2.0
   83    81    82    63   3.62500 -1.0 2.0
   79    76    77    78   3.62500 -1.0 2.0
   79    76    77    81   3.62500 -1.0 2.0
   68    62    64    65   3.62500 -1.0 2.0
   68    62    64    71   3.62500 -1.0 2.0
   68    72    39    33   0.56750  1.0 1.0
   68    72    39    33  -0.07550 -1.0 2.0
   68    72    39    33   0.20000  1.0 3.0
   68    72    39    40   0.15000  1.0 3.0
   68    72    39    45   0.62750  1.0 1.0
   68    72    39    45  -0.30950 -1.0 2.0
   68    72    39    45   0.27300  1.0 3.0
   69    68    72    48   0.15000  1.0 3.0
   69    68    72    73   0.15000  1.0 3.0
   69    68    72    39   0.15000  1.0 3.0
   70    68    72    48   0.15000  1.0 3.0
   70    68    72    73   0.15000  1.0 3.0
   70    68    72    39   0.15000  1.0 3.0
   72    48    57    58   0.30150 -1.0 2.0
   72    48   -57    61   0.05850 -1.0 2.0
   72    48   -57    61   0.17250  1.0 3.0
   72    48    59    60  -0.11600  1.0 1.0
   72    48    59    60  -0.09450 -1.0 2.0
   72    48    59    60   0.21250  1.0 3.0
   72    39    45    49   0.06250  1.0 1.0
   72    39    45    49  -0.01100 -1.0 2.0
   72    39    45    49   0.28050  1.0 3.0
   73    72    39    33   0.15000  1.0 3.0
   73    72    39    40   0.15000  1.0 3.0
   73    72    39    45   0.23400  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33   -37    43  -0.95700  1.0 1.0
   39    33   -37    43  -0.18200 -1.0 2.0
   39    33   -37    43   0.29450  1.0 3.0
   39    33    37    46  -0.95700  1.0 1.0
   39    33    37    46  -0.18200 -1.0 2.0
   39    33    37    46   0.29450  1.0 3.0
   39    33    41    42  -0.11600  1.0 1.0
   39    33    41    42  -0.09450 -1.0 2.0
   39    33    41    42   0.21250  1.0 3.0
   39    45    49    50   0.37050  1.0 3.0
   39    45    49    51   0.37050  1.0 3.0
   39    45    49    52   0.37050  1.0 3.0
   40    39    45    49   0.37050  1.0 3.0
   59    48    57    58   0.30150 -1.0 2.0
   59    48    57    61   0.65300  1.0 1.0
   59    48    57    61  -0.03850 -1.0 2.0
   59    48    57    61   0.33900  1.0 3.0
   59    48    72    68   0.86500  1.0 1.0
   59    48    72    68  -0.17500 -1.0 2.0
   59    48    72    68   0.20800  1.0 3.0
   59    48    72    73   0.23400  1.0 3.0
   59    48    72    39   0.86500  1.0 1.0
   59    48    72    39  -0.17500 -1.0 2.0
   59    48    72    39   0.20800  1.0 3.0
   46    37    43    44   0.30150 -1.0 2.0
   46    37    43    48   0.65300  1.0 1.0
   46    37    43    48  -0.03850 -1.0 2.0
   46    37    43    48   0.33900  1.0 3.0
   47    46    53    54   0.00000  1.0 1.0
   47    46    53    55   0.00000  1.0 1.0
   47    46    53    56   0.00000  1.0 1.0
   41    33    37    38   0.23400  1.0 3.0
   41    33    37    43  -0.09450  1.0 1.0
   41    33    37    43  -1.12950 -1.0 2.0
   41    33    37    43   0.54000  1.0 3.0
   41    33    37    46  -0.09450  1.0 1.0
   41    33    37    46  -1.12950 -1.0 2.0
   41    33    37    46   0.54000  1.0 3.0
   41    33    39    72   0.86500  1.0 1.0
   41    33    39    72  -0.17500 -1.0 2.0
   41    33    39    72   0.20800  1.0 3.0
   41    33    39    40   0.23400  1.0 3.0
   41    33    39    45   3.69350  1.0 1.0
   41    33    39    45  -1.82950 -1.0 2.0
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
   37    48    43    44  10.50000 -1.0 2.0
   48    61    57    58  10.50000 -1.0 2.0
   62    63    61    57   4.00000 -1.0 2.0
   64    68    62    61   4.00000 -1.0 2.0
   71    65    64    62   1.10000 -1.0 2.0
   74    82    71    64   4.00000 -1.0 2.0
   76    75    74    71   1.10000 -1.0 2.0
   77    79    76    74   4.00000 -1.0 2.0
   81    78    77    76   1.10000 -1.0 2.0
   82    83    81    77   4.00000 -1.0 2.0
   81    63    82    71   4.00000 -1.0 2.0
   82    66    63    61   4.00000 -1.0 2.0
   37    53    46    47  10.50000 -1.0 2.0
END
