* LIGAND DATABASE FILE (OPLS2005)
*
001      82    82    147    211     423
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02096   106.63641   -14.06884
    3     1 S   H    _H1_     3     1.02131    55.92923    87.54876
    4     1 S   H    _H2_     4     1.02149    56.17137  -115.77965
    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     1.08491   110.56590    58.77998
   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   _C13    36     1.84229    97.44143  -178.14977
   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   CO4  _C6_    37     1.52861   109.21737   179.96574
   38    37 S   O    _O19    38     1.23204   122.98956    23.51238
   39    33 S   CT   _C17    79     1.53955   106.42686   -63.54824
   40    39 S   HC   _H36    80     1.08532   109.31500    62.77881
   41    39 S   HC   _H37    81     1.08504   109.28673   -57.25599
   42    39 S   HC   _H38    82     1.08573   109.24603  -177.20299
   43    37 S   CM   _C4_    39     1.49592   118.22109  -160.56466
   44    43 S   CM   _C5_    40     1.34523   121.18108     9.73666
   45    43 S   OH   _O21    77     1.38006   114.97861  -169.36442
   46    45 S   HO   _H48    78     0.96208   109.68182    -0.97538
   47    44 S   CO4  _C7_    41     1.48972   120.68011     4.35856
   48    47 S   O    _O20    42     1.23169   120.07811  -171.36783
   49    44 S   OS   _O22    72     1.37811   124.18546  -176.14852
   50    33 S   CT   _C12    43     1.54284   111.06435    57.70873
   51    50 S   HC   _H26    44     1.07578   110.01766   -71.37671
   52    49 S   CT   _C18    73     1.40738   112.60738    89.95226
   53    52 S   HC   _H39    74     1.09208   109.51321  -180.00000
   54    52 S   HC   _H40    75     1.09262   109.48223    59.25507
   55    52 S   HC   _H41    76     1.09225   108.97638   -60.39030
   56    50 S   CT   _C19    45     1.53444   115.96179    50.59407
   57    56 S   HC   _H42    46     1.09635   109.09542    63.55622
   58    56 S   HC   _H43    47     1.09255   108.46888   -52.58933
   59    56 S   CM   _C8_    48     1.50242   111.22217  -176.84843
   60    59 S   HC   _H24    49     1.08961   114.13719    29.89001
   61    59 S   CM   _C10    50     1.34760   128.10348  -149.99753
   62    61 S   CT   _C14    51     1.50849   119.89033     0.07133
   63    62 S   HC   _H27    52     1.09402   110.68514    89.92342
   64    62 S   HC   _H28    53     1.09430   110.28028  -149.91653
   65    62 S   HC   _H29    54     1.09534   112.33250   -30.09652
   66    61 S   CT   _C21    55     1.51424   124.98313  -177.80697
   67    66 S   HC   _H46    56     1.09825   108.12684   120.03137
   68    66 S   HC   _H47    57     1.09541   111.51161     5.64122
   69    66 S   CT   _C20    58     1.53397   114.08521  -119.27462
   70    69 S   HC   _H44    59     1.09280   110.49354   -67.31948
   71    69 S   HC   _H45    60     1.09772   108.24135   177.87652
   72    69 S   CM   _C9_    61     1.50359   112.70381    59.45409
   73    72 S   HC   _H25    62     1.09029   113.90578    55.12603
   74    72 S   CM   _C11    63     1.34686   128.19976  -125.73274
   75    74 S   CT   _C15    64     1.50123   125.41910  -179.96044
   76    75 S   HC   _H30    65     1.09500   110.12084    90.04123
   77    75 S   HC   _H31    66     1.09513   110.02667   -29.26001
   78    75 S   HC   _H32    67     1.09246   113.74887  -149.30095
   79    74 S   CT   _C16    68     1.50544   120.30874    -0.43431
   80    79 S   HC   _H33    69     1.09513   110.28559    89.98530
   81    79 S   HC   _H34    70     1.09519   112.43620  -149.92440
   82    79 S   HC   _H35    71     1.09551   110.24078   -29.83079
  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  12   5   4   3
  17   2   1   1  14   5   8   3   2   1   8  12   3   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    50    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    47    50    51    56    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    47    48    50    51    56    57    58    59    45    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    47    50    51    56    49    45    46    39    40    41    42  
   43    44    50    45    39  
   40    41    42    43    47    50    51    56  
   41    42    50  
   42    50  
   50  
   44    47    48    50    49    52    45    46  
   47    48    50    51    56    49    52    53    54    55    45    46  
   46    47    49  
    0  
   48    50    51    56    57    58    59    49    52  
   50    51    56    49  
   52    53    54    55    50  
   51    56    57    58    59    60    61  
   56    57    58    59  
   53    54    55  
   54    55  
   55  
    0  
   57    58    59    60    61    62    66  
   58    59    60    61  
   59    60    61  
   60    61    62    63    64    65    66    67    68    69  
   61    62    66  
   62    63    64    65    66    67    68    69    70    71    72  
   63    64    65    66    67    68    69  
   64    65    66  
   65    66  
   66  
   67    68    69    70    71    72    73    74  
   68    69    70    71    72  
   69    70    71    72  
   70    71    72    73    74    75    79  
   71    72    73    74  
   72    73    74  
   73    74    75    76    77    78    79    80    81    82  
   74    75    79  
   75    76    77    78    79    80    81    82  
   76    77    78    79    80    81    82  
   77    78    79  
   78    79  
   79  
   80    81    82  
   81    82  
   82  
    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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   44   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   45   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   47   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   49   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   62   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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
   79   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.522
   33    50   268.000  1.529
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    43   320.000  1.462
   43    44   549.000  1.340
   43    45   510.000  1.338
   44    47   320.000  1.462
   44    49   440.000  1.360
   47    48   570.000  1.229
   47    50   317.000  1.522
   50    51   340.000  1.090
   50    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   317.000  1.510
   59    60   340.000  1.080
   59    61   549.000  1.340
   61    62   317.000  1.510
   61    66   317.000  1.510
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   317.000  1.510
   72    73   340.000  1.080
   72    74   549.000  1.340
   74    75   317.000  1.510
   74    79   317.000  1.510
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   49    52   320.000  1.410
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   45    46   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  110.18000
   29    33    50    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    43    65.00000  118.62400
   33    50    47    63.00000  111.10000
   33    50    51    37.50000  110.70000
   33    50    56    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    65.00000  118.96000
   37    43    45    85.00000  116.28000
   43    37    38    80.00000  123.72100
   43    44    47    65.00000  118.96000
   43    44    49    80.00000  120.01400
   43    45    46    70.00000  107.45700
   44    47    48    80.00000  123.72100
   44    47    50    65.00000  118.62400
   44    49    52    90.00000  111.18400
   47    50    51    35.00000  109.50000
   47    50    56    63.00000  111.10000
   50    33    37    63.00000  111.10000
   50    47    48    80.00000  120.40000
   50    56    57    37.50000  110.70000
   50    56    58    37.50000  110.70000
   50    56    59    70.00000  112.02700
   56    50    51    37.50000  110.70000
   56    59    60    35.00000  117.00000
   56    59    61    70.00000  124.00000
   58    56    57    33.00000  107.80000
   59    56    57    35.00000  109.50000
   59    56    58    35.00000  109.50000
   59    61    62    70.00000  124.00000
   59    61    66    70.00000  124.00000
   61    59    60    35.00000  120.00000
   61    62    63    35.00000  109.50000
   61    62    64    35.00000  109.50000
   61    62    65    35.00000  109.50000
   61    66    67    35.00000  109.50000
   61    66    68    35.00000  109.50000
   61    66    69    70.00000  112.02700
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   66    61    62    65.00000  117.92700
   66    69    70    37.50000  110.70000
   66    69    71    37.50000  110.70000
   66    69    72    70.00000  112.02700
   68    66    67    33.00000  107.80000
   69    66    67    37.50000  110.70000
   69    66    68    37.50000  110.70000
   69    72    73    35.00000  117.00000
   69    72    74    70.00000  124.00000
   71    69    70    33.00000  107.80000
   72    69    70    35.00000  109.50000
   72    69    71    35.00000  109.50000
   72    74    75    70.00000  124.00000
   72    74    79    70.00000  124.00000
   74    72    73    35.00000  120.00000
   74    75    76    35.00000  109.50000
   74    75    77    35.00000  109.50000
   74    75    78    35.00000  109.50000
   74    79    80    35.00000  109.50000
   74    79    81    35.00000  109.50000
   74    79    82    35.00000  109.50000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   79    74    75    65.00000  117.92700
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   49    44    47    85.00000  116.28000
   49    52    53    35.00000  109.50000
   49    52    54    35.00000  109.50000
   49    52    55    35.00000  109.50000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   45    43    44    80.00000  121.38400
   39    33    37    63.00000  111.10000
   39    33    50    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    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   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   0.30150 -1.0 2.0
   29    33    37    43   0.65300  1.0 1.0
   29    33    37    43  -0.03850 -1.0 2.0
   29    33    37    43   0.33900  1.0 3.0
   29    33    50    47   0.56750  1.0 1.0
   29    33    50    47  -0.07550 -1.0 2.0
   29    33    50    47   0.20000  1.0 3.0
   29    33    50    51   0.15000  1.0 3.0
   29    33    50    56   0.44750  1.0 1.0
   29    33    50    56  -0.17800 -1.0 2.0
   29    33    50    56   0.20200  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  -0.33500  1.0 1.0
   33    37    43    44   1.06600 -1.0 2.0
   33    37    43    44  -0.14000  1.0 3.0
   33    37    43    45   0.32450 -1.0 2.0
   33    37    43    45   0.17400  1.0 3.0
   33    50    56    57   0.15000  1.0 3.0
   33    50    56    58   0.15000  1.0 3.0
   33    50    56    59   0.34400  1.0 1.0
   33    50    56    59   0.09450 -1.0 2.0
   33    50    56    59   0.11100  1.0 3.0
   37    33    50    47   0.11950  1.0 1.0
   37    33    50    47   0.20300 -1.0 2.0
   37    33    50    47  -0.70800  1.0 3.0
   37    33    50    51  -0.11250  1.0 3.0
   37    33    50    56  -0.95700  1.0 1.0
   37    33    50    56  -0.18200 -1.0 2.0
   37    33    50    56   0.29450  1.0 3.0
   37    33    39    40  -0.11250  1.0 3.0
   37    33    39    41  -0.11250  1.0 3.0
   37    33    39    42  -0.11250  1.0 3.0
   37    43   -44    47   7.00000 -1.0 2.0
   37    43    44    49   7.00000 -1.0 2.0
   37    43    45    46   2.00000 -1.0 2.0
   38    37    43    44   1.00000 -1.0 2.0
   38    37    43    45  -0.11900  1.0 1.0
   38    37    43    45   0.76850 -1.0 2.0
   38    37    43    45   0.14100  1.0 3.0
   43    44    47    48   1.00000 -1.0 2.0
   43    44    47    50  -0.33500  1.0 1.0
   43    44    47    50   1.06600 -1.0 2.0
   43    44    47    50  -0.14000  1.0 3.0
   43    44    49    52  -2.26850  1.0 1.0
   43    44    49    52   3.39050 -1.0 2.0
   44    43    45    46  -0.66100  1.0 1.0
   44    43    45    46   1.20850 -1.0 2.0
   44    43    45    46  -0.36000  1.0 3.0
   44    47   -50    33   0.65300  1.0 1.0
   44    47   -50    33  -0.03850 -1.0 2.0
   44    47   -50    33   0.33900  1.0 3.0
   44    47    50    51   0.00000  1.0 1.0
   44    47    50    56   0.65300  1.0 1.0
   44    47    50    56  -0.03850 -1.0 2.0
   44    47    50    56   0.33900  1.0 3.0
   44    49    52    53   0.08050  1.0 3.0
   44    49    52    54   0.08050  1.0 3.0
   44    49    52    55   0.08050  1.0 3.0
   47    44    49    52   0.15100 -1.0 2.0
   47    50    56    57  -0.11250  1.0 3.0
   47    50    56    58  -0.11250  1.0 3.0
   47    50    56    59  -0.98800  1.0 1.0
   47    50    56    59   0.48800 -1.0 2.0
   47    50    56    59   0.76800  1.0 3.0
   48    47    50    33   0.30150 -1.0 2.0
   48    47    50    51   0.00000  1.0 1.0
   48    47    50    56   0.30150 -1.0 2.0
   50    33    37    38   0.30150 -1.0 2.0
   50    33   -37    43   0.65300  1.0 1.0
   50    33   -37    43  -0.03850 -1.0 2.0
   50    33   -37    43   0.33900  1.0 3.0
   50    33    39    40   0.15000  1.0 3.0
   50    33    39    41   0.15000  1.0 3.0
   50    33    39    42   0.15000  1.0 3.0
   50    56    59    60   0.00000  1.0 1.0
   50    56    59    61   0.09850  1.0 1.0
   50    56    59    61   0.15250 -1.0 2.0
   50    56    59    61  -0.50650  1.0 3.0
   51    50    56    57   0.15000  1.0 3.0
   51    50    56    58   0.15000  1.0 3.0
   51    50    56    59   0.15000  1.0 3.0
   56    59    61    62   7.00000 -1.0 2.0
   56    59    61    66   7.00000 -1.0 2.0
   57    56    59    60   0.33100  1.0 3.0
   57    56    59    61   0.00000  1.0 1.0
   58    56    59    60   0.33100  1.0 3.0
   58    56    59    61   0.00000  1.0 1.0
   59    61    62    63   0.00000  1.0 1.0
   59    61    62    64   0.00000  1.0 1.0
   59    61    62    65   0.00000  1.0 1.0
   59    61    66    67   0.00000  1.0 1.0
   59    61    66    68   0.00000  1.0 1.0
   59    61    66    69   0.09850  1.0 1.0
   59    61    66    69   0.15250 -1.0 2.0
   59    61    66    69  -0.50650  1.0 3.0
   60    59    61    62   7.00000 -1.0 2.0
   60    59    61    66   7.00000 -1.0 2.0
   61    66    69    70   0.15000  1.0 3.0
   61    66    69    71   0.15000  1.0 3.0
   61    66    69    72   0.31000  1.0 1.0
   61    66    69    72   0.14700 -1.0 2.0
   61    66    69    72   0.07550  1.0 3.0
   62    61    66    67   0.34800  1.0 3.0
   62    61    66    68   0.34800  1.0 3.0
   62    61    66    69   0.46850  1.0 1.0
   62    61    66    69   0.08550 -1.0 2.0
   62    61    66    69   0.09800  1.0 3.0
   66    61    62    63   0.34800  1.0 3.0
   66    61    62    64   0.34800  1.0 3.0
   66    61    62    65   0.34800  1.0 3.0
   66    69    72    73   0.00000  1.0 1.0
   66    69    72    74   0.09850  1.0 1.0
   66    69    72    74   0.15250 -1.0 2.0
   66    69    72    74  -0.50650  1.0 3.0
   67    66    69    70   0.15000  1.0 3.0
   67    66    69    71   0.15000  1.0 3.0
   67    66    69    72   0.15000  1.0 3.0
   68    66    69    70   0.15000  1.0 3.0
   68    66    69    71   0.15000  1.0 3.0
   68    66    69    72   0.15000  1.0 3.0
   69    72    74    75   7.00000 -1.0 2.0
   69    72    74    79   7.00000 -1.0 2.0
   70    69    72    73   0.33100  1.0 3.0
   70    69    72    74   0.00000  1.0 1.0
   71    69    72    73   0.33100  1.0 3.0
   71    69    72    74   0.00000  1.0 1.0
   72    74    75    76   0.00000  1.0 1.0
   72    74    75    77   0.00000  1.0 1.0
   72    74    75    78   0.00000  1.0 1.0
   72    74    79    80   0.00000  1.0 1.0
   72    74    79    81   0.00000  1.0 1.0
   72    74    79    82   0.00000  1.0 1.0
   73    72    74    75   7.00000 -1.0 2.0
   73    72    74    79   7.00000 -1.0 2.0
   75    74    79    80   0.34800  1.0 3.0
   75    74    79    81   0.34800  1.0 3.0
   75    74    79    82   0.34800  1.0 3.0
   79    74    75    76   0.34800  1.0 3.0
   79    74    75    77   0.34800  1.0 3.0
   79    74    75    78   0.34800  1.0 3.0
   49    44    47    48  -0.11900  1.0 1.0
   49    44    47    48   0.76850 -1.0 2.0
   49    44    47    48   0.14100  1.0 3.0
   49    44    47    50   0.32450 -1.0 2.0
   49    44    47    50   0.17400  1.0 3.0
   45    43    44    47   7.00000 -1.0 2.0
   45    43    44    49   7.00000 -1.0 2.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    43   0.65300  1.0 1.0
   39    33    37    43  -0.03850 -1.0 2.0
   39    33    37    43   0.33900  1.0 3.0
   39    33    50    47  -0.95700  1.0 1.0
   39    33    50    47  -0.18200 -1.0 2.0
   39    33    50    47   0.29450  1.0 3.0
   39    33    50    51   0.15000  1.0 3.0
   39    33    50    56   0.56750  1.0 1.0
   39    33    50    56  -0.07550 -1.0 2.0
   39    33    50    56   0.20000  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
   33    43    37    38  10.50000 -1.0 2.0
   37    45    43    44   1.10000 -1.0 2.0
   47    49    44    43   1.10000 -1.0 2.0
   44    50    47    48  10.50000 -1.0 2.0
   56    60    59    61  15.00000 -1.0 2.0
   62    66    61    59  15.00000 -1.0 2.0
   69    73    72    74  15.00000 -1.0 2.0
   75    79    74    72  15.00000 -1.0 2.0
END
