* LIGAND DATABASE FILE (OPLS2005)
*
001      81    82    152    225     436
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02066    71.44525   -95.07036
    3     1 S   H    _H1_     3     1.02087   103.32148    10.44715
    4     1 S   H    _H2_     4     1.02073    42.03183   113.76480
    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     1.08547   109.95733   179.17291
   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   _C19    36     1.84971    97.30413  -180.00000
   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     1.53689   106.94058  -179.98022
   38    33 S   CT   _C15    60     1.53539   106.67604   -62.58502
   39    38 S   HC   _H37    61     1.09573   111.36516    64.46397
   40    38 S   HC   _H38    62     1.09602   111.64877   -55.71854
   41    38 S   HC   _H39    63     1.09719   111.79668  -176.76179
   42    33 S   CT   _C18    64     1.55647   108.23747    58.25404
   43    42 S   HC   _H45    65     1.09963   109.73940   -61.94461
   44    37 S   CT   _C10    38     1.54176   110.49771   -34.62497
   45    44 S   HC   _H30    39     1.09061   111.49411   -44.68849
   46    37 S   OH   _O19    58     1.43256   106.63304  -152.31698
   47    46 S   HO   _H46    59     0.96686   105.95480   179.03734
   48    42 S   CT   _C17    66     1.53939   114.36281    60.42050
   49    48 S   HC   _H43    67     1.09468   110.64242    78.52506
   50    48 S   HC   _H44    68     1.09265   110.44597   -39.19817
   51    42 S   OH   _O20    80     1.43303   109.64621  -179.60534
   52    51 S   HO   _H47    81     0.96805   106.06121   175.60118
   53    44 S   CO4  _C4_    40     1.51932   111.90764    75.54492
   54    53 S   O    _O17    41     1.23093   121.39231  -135.29514
   55    44 S   OS   _O21    53     1.42349   111.52726  -165.38473
   56    48 S   CM   _C5_    69     1.50771   111.54008  -162.97531
   57    56 S   HC   _H23    70     1.08961   113.99836   -61.97388
   58    53 S   CT   _C7_    42     1.51557   116.99869    48.71682
   59    58 S   HC   _H24    43     1.09769   109.26377    71.31122
   60    58 S   HC   _H25    44     1.09860   107.73723  -171.84931
   61    55 S   CT   _C16    54     1.42287   111.67987   157.68558
   62    61 S   HC   _H40    55     1.09290   109.49700   179.95154
   63    61 S   HC   _H41    56     1.09314   109.52963    59.23151
   64    61 S   HC   _H42    57     1.09234   109.01042   -60.37822
   65    56 S   CM   _C6_    71     1.34615   128.01711   119.12016
   66    58 S   CT   _C8_    45     1.52225   110.74062   -50.13169
   67    66 S   HC   _H26    46     1.09393   109.76221   170.94746
   68    66 S   HC   _H27    47     1.09429   109.11088   -72.04685
   69    65 S   CT   _C13    72     1.50308   125.28953   179.96574
   70    69 S   HC   _H31    73     1.09462   110.01742    89.98653
   71    69 S   HC   _H32    74     1.09550   110.04232  -150.74618
   72    69 S   HC   _H33    75     1.09208   113.58237   -31.06665
   73    65 S   CT   _C14    76     1.50641   120.39654     0.53559
   74    73 S   HC   _H34    77     1.09541   110.25755    89.98529
   75    73 S   HC   _H35    78     1.09525   112.43736   -30.08176
   76    73 S   HC   _H36    79     1.09508   110.22273  -150.22166
   77    37 S   C3T  _C11    48     1.52108   110.86920    87.39725
   78    77 S   C3T  _C9_    49     1.51730   121.63242   132.98482
   79    78 S   HC   _H28    50     1.08137   120.21525     4.97764
   80    78 S   HC   _H29    51     1.08320   118.70969   152.98088
   81    77 S   O3T  _O18    52     1.43701   114.49490    66.79349
  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
  23   2   1   1  25  10   3   2   1  12   6  17   7   7   1   9
   5   4   2   1  10   5   6  10   3   8   5   4   3   2   1   1
   8   7   4   3   7   3   2   1   3   2   1   1   4   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    38    42    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    44    77    46    38    39    40    41    42    43    48    51  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    44    45    53    66    77    78    81    55    46    47    38    39    40    41    42    43    48    49    50    56    51    52  
   35    36  
   36  
    0  
   44    45    53    54    58    66    67    68    77    78    79    80    81    55    61    46    47    38    39    40    41    42    43    48    51  
   39    40    41    42    43    48    51    44    46    77  
   40    41    42  
   41    42  
   42  
   43    48    49    50    56    57    65    51    52    44    46    77  
   48    49    50    56    51    52  
   45    53    54    58    59    60    66    77    78    81    55    61    62    63    64    46    47  
   53    54    58    77    55    61    46  
   47    53    55    66    77    78    81  
   77  
   49    50    56    57    65    69    73    51    52  
   50    56    57    65    51  
   56    57    65    51  
   52    56  
    0  
   54    58    59    60    66    67    68    77    55    61  
   58    59    60    66    55  
   61    62    63    64    58    77  
   57    65    69    70    71    72    73    74    75    76  
   65    69    73  
   59    60    66    67    68    77    78    81  
   60    66    67    68    77  
   66    67    68    77  
   62    63    64  
   63    64  
   64  
    0  
   69    70    71    72    73    74    75    76  
   67    68    77    78    79    80    81  
   68    77    78    81  
   77    78    81  
   70    71    72    73    74    75    76  
   71    72    73  
   72    73  
   73  
   74    75    76  
   75    76  
   76  
    0  
   78    79    80    81  
   79    80    81  
   80    81  
   81  
    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   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   38   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   55   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   56   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   78   3.5000   0.0660   0.056200   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.9000   0.1400  -0.352400   1.5900   1.4000   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    38   268.000  1.529
   33    42   268.000  1.529
   37    44   268.000  1.529
   37    77   275.000  1.510
   37    46   320.000  1.410
   44    45   340.000  1.090
   44    53   317.000  1.522
   44    55   320.000  1.410
   53    54   570.000  1.229
   53    58   317.000  1.522
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    77   275.000  1.510
   77    78   260.000  1.509
   77    81   335.000  1.432
   78    79   340.000  1.088
   78    80   340.000  1.088
   78    81   335.000  1.432
   55    61   320.000  1.410
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   46    47   553.000  0.945
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   340.000  1.090
   42    48   268.000  1.529
   42    51   320.000  1.410
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    56   317.000  1.510
   56    57   340.000  1.080
   56    65   549.000  1.340
   65    69   317.000  1.510
   65    73   317.000  1.510
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   51    52   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    38    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    37    44    58.35000  112.70000
   33    37    77    70.00000  112.37300
   33    37    46    50.00000  109.50000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    37.50000  110.70000
   33    42    48    58.35000  112.70000
   33    42    51    50.00000  109.50000
   37    44    45    37.50000  110.70000
   37    44    53    63.00000  111.10000
   37    44    55    50.00000  109.50000
   37    77    66    58.35000  112.70000
   37    77    78    60.00000  120.94000
   37    77    81    80.00000  116.47100
   37    46    47    55.00000  108.50000
   44    53    54    80.00000  120.40000
   44    53    58    70.00000  116.00000
   44    55    61    60.00000  109.50000
   53    44    45    35.00000  109.50000
   53    58    59    35.00000  109.50000
   53    58    60    35.00000  109.50000
   53    58    66    63.00000  111.10000
   58    53    54    80.00000  120.40000
   58    66    67    37.50000  110.70000
   58    66    68    37.50000  110.70000
   58    66    77    70.00000  112.37300
   60    58    59    33.00000  107.80000
   66    58    59    37.50000  110.70000
   66    58    60    37.50000  110.70000
   66    77    78    60.00000  120.94000
   66    77    81    80.00000  116.47100
   68    66    67    33.00000  107.80000
   77    37    44    70.00000  112.37300
   77    66    67    45.00000  109.38400
   77    66    68    45.00000  109.38400
   77    78    79    37.50000  117.20000
   77    78    80    37.50000  117.20000
   77    78    81    15.00000   60.43100
   77    81    78    15.00000   59.14900
   80    78    79    35.00000  114.30000
   81    77    78    15.00000   60.43100
   81    78    79    50.00000  114.27700
   81    78    80    50.00000  114.27700
   55    44    45    35.00000  109.50000
   55    44    53    90.00000  108.74100
   55    61    62    35.00000  109.50000
   55    61    63    35.00000  109.50000
   55    61    64    35.00000  109.50000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   46    37    44    50.00000  109.50000
   46    37    77    50.00000  109.50000
   38    33    37    58.35000  112.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    37    58.35000  112.70000
   42    33    38    58.35000  112.70000
   42    48    49    37.50000  110.70000
   42    48    50    37.50000  110.70000
   42    48    56    70.00000  112.02700
   42    51    52    55.00000  108.50000
   48    42    43    37.50000  110.70000
   48    56    57    35.00000  117.00000
   48    56    65    70.00000  124.00000
   50    48    49    33.00000  107.80000
   56    48    49    35.00000  109.50000
   56    48    50    35.00000  109.50000
   56    65    69    70.00000  124.00000
   56    65    73    70.00000  124.00000
   65    56    57    35.00000  120.00000
   65    69    70    35.00000  109.50000
   65    69    71    35.00000  109.50000
   65    69    72    35.00000  109.50000
   65    73    74    35.00000  109.50000
   65    73    75    35.00000  109.50000
   65    73    76    35.00000  109.50000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   73    65    69    65.00000  117.92700
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   51    42    43    35.00000  109.50000
   51    42    48    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    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    44   0.44750  1.0 1.0
   29    33    37    44  -0.17800 -1.0 2.0
   29    33    37    44   0.20200  1.0 3.0
   29    33    37    77   0.44750  1.0 1.0
   29    33    37    77  -0.17800 -1.0 2.0
   29    33    37    77   0.20200  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    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    48   0.44750  1.0 1.0
   29    33    42    48  -0.17800 -1.0 2.0
   29    33    42    48   0.20200  1.0 3.0
   29    33    42    51   0.56750  1.0 1.0
   29    33    42    51  -0.07550 -1.0 2.0
   29    33    42    51   0.20000  1.0 3.0
   33    37    44    45   0.15000  1.0 3.0
   33    37    44    53  -0.95700  1.0 1.0
   33    37    44    53  -0.18200 -1.0 2.0
   33    37    44    53   0.29450  1.0 3.0
   33    37    44    55   0.62750  1.0 1.0
   33    37    44    55  -0.30950 -1.0 2.0
   33    37    44    55   0.27300  1.0 3.0
   33    37    77    66   0.56750  1.0 1.0
   33    37    77    66  -0.07550 -1.0 2.0
   33    37    77    66   0.20000  1.0 3.0
   33    37    77    78   0.07850  1.0 1.0
   33    37    77    78  -0.03950 -1.0 2.0
   33    37    77    78   0.67350  1.0 3.0
   33    37    77    81   0.02550  1.0 1.0
   33    37    77    81  -0.02600 -1.0 2.0
   33    37    77    81   1.20400  1.0 3.0
   33    37    46    47  -0.11600  1.0 1.0
   33    37    46    47  -0.09450 -1.0 2.0
   33    37    46    47   0.21250  1.0 3.0
   33    42    48    49   0.15000  1.0 3.0
   33    42    48    50   0.15000  1.0 3.0
   33    42    48    56   0.34400  1.0 1.0
   33    42    48    56   0.09450 -1.0 2.0
   33    42    48    56   0.11100  1.0 3.0
   33    42    51    52  -0.11600  1.0 1.0
   33    42    51    52  -0.09450 -1.0 2.0
   33    42    51    52   0.21250  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    41   0.15000  1.0 3.0
   37    33    42    43   0.15000  1.0 3.0
   37    33    42    48   0.56750  1.0 1.0
   37    33    42    48  -0.07550 -1.0 2.0
   37    33    42    48   0.20000  1.0 3.0
   37    33    42    51   0.86500  1.0 1.0
   37    33    42    51  -0.17500 -1.0 2.0
   37    33    42    51   0.20800  1.0 3.0
   37    44    53    54   0.30150 -1.0 2.0
   37    44    53    58   0.60050  1.0 1.0
   37    44    53    58   0.05600 -1.0 2.0
   37    44    53    58   0.26150  1.0 3.0
   37    44    55    61   0.06250  1.0 1.0
   37    44    55    61  -0.01100 -1.0 2.0
   37    44    55    61   0.28050  1.0 3.0
   37    77    78    79   0.15000  1.0 3.0
   37    77    78    80   0.15000  1.0 3.0
   37    77   -78    81   0.02550  1.0 1.0
   37    77   -78    81  -0.02600 -1.0 2.0
   37    77   -78    81   1.20400  1.0 3.0
   37    77   -81    78   0.06250  1.0 1.0
   37    77   -81    78  -0.01100 -1.0 2.0
   37    77   -81    78   0.28050  1.0 3.0
   44    37    77    66   0.56750  1.0 1.0
   44    37    77    66  -0.07550 -1.0 2.0
   44    37    77    66   0.20000  1.0 3.0
   44    37    77    78   0.07850  1.0 1.0
   44    37    77    78  -0.03950 -1.0 2.0
   44    37    77    78   0.67350  1.0 3.0
   44    37    77    81   0.02550  1.0 1.0
   44    37    77    81  -0.02600 -1.0 2.0
   44    37    77    81   1.20400  1.0 3.0
   44    37    46    47  -0.11600  1.0 1.0
   44    37    46    47  -0.09450 -1.0 2.0
   44    37    46    47   0.21250  1.0 3.0
   44    53    58    59   0.00000  1.0 1.0
   44    53    58    60   0.00000  1.0 1.0
   44    53   -58    66   0.60050  1.0 1.0
   44    53   -58    66   0.05600 -1.0 2.0
   44    53   -58    66   0.26150  1.0 3.0
   44    55    61    62   0.37050  1.0 3.0
   44    55    61    63   0.37050  1.0 3.0
   44    55    61    64   0.37050  1.0 3.0
   45    44    53    54   0.00000  1.0 1.0
   45    44    53    58   0.00000  1.0 1.0
   45    44    55    61   0.37050  1.0 3.0
   53    44    55    61  -1.11000  1.0 1.0
   53    44    55    61   0.50250 -1.0 2.0
   53    44    55    61   0.47450  1.0 3.0
   53    58    66    67  -0.11250  1.0 3.0
   53    58    66    68  -0.11250  1.0 3.0
   53    58    66    77  -0.95700  1.0 1.0
   53    58    66    77  -0.18200 -1.0 2.0
   53    58    66    77   0.29450  1.0 3.0
   54    53    58    59   0.00000  1.0 1.0
   54    53    58    60   0.00000  1.0 1.0
   54    53    58    66   0.30150 -1.0 2.0
   58    66   -77    37   0.56750  1.0 1.0
   58    66   -77    37  -0.07550 -1.0 2.0
   58    66   -77    37   0.20000  1.0 3.0
   58    66    77    78   0.07850  1.0 1.0
   58    66    77    78  -0.03950 -1.0 2.0
   58    66    77    78   0.67350  1.0 3.0
   58    66    77    81   0.02550  1.0 1.0
   58    66    77    81  -0.02600 -1.0 2.0
   58    66    77    81   1.20400  1.0 3.0
   59    58    66    67   0.15000  1.0 3.0
   59    58    66    68   0.15000  1.0 3.0
   59    58    66    77   0.15000  1.0 3.0
   60    58    66    67   0.15000  1.0 3.0
   60    58    66    68   0.15000  1.0 3.0
   60    58    66    77   0.15000  1.0 3.0
   66    77    78    79   0.15000  1.0 3.0
   66    77    78    80   0.15000  1.0 3.0
   66    77   -78    81   0.02550  1.0 1.0
   66    77   -78    81  -0.02600 -1.0 2.0
   66    77   -78    81   1.20400  1.0 3.0
   66    77   -81    78   0.06250  1.0 1.0
   66    77   -81    78  -0.01100 -1.0 2.0
   66    77   -81    78   0.28050  1.0 3.0
   67    66    77    37   0.15000  1.0 3.0
   67    66    77    78   0.15000  1.0 3.0
   67    66    77    81   0.23400  1.0 3.0
   68    66    77    37   0.15000  1.0 3.0
   68    66    77    78   0.15000  1.0 3.0
   68    66    77    81   0.23400  1.0 3.0
   77    37    44    45   0.15000  1.0 3.0
   77    37   -44    53  -0.95700  1.0 1.0
   77    37   -44    53  -0.18200 -1.0 2.0
   77    37   -44    53   0.29450  1.0 3.0
   77    37    44    55  -0.26800  1.0 1.0
   77    37    44    55   0.69150 -1.0 2.0
   77    37    44    55  -0.48750  1.0 3.0
   77    37    46    47  -0.11600  1.0 1.0
   77    37    46    47  -0.09450 -1.0 2.0
   77    37    46    47   0.21250  1.0 3.0
   79    78   -81    77   0.36800  1.0 3.0
   80    78   -81    77   0.36800  1.0 3.0
   81    77   -78    79   0.23400  1.0 3.0
   81    77   -78    80   0.23400  1.0 3.0
   55    44    53    54   0.30150 -1.0 2.0
   55    44    53    58   0.55300  1.0 1.0
   55    44    53    58   1.25850 -1.0 2.0
   55    44    53    58  -0.23600  1.0 3.0
   46    37    44    45   0.23400  1.0 3.0
   46    37    44    53  -0.09450  1.0 1.0
   46    37    44    53  -1.12950 -1.0 2.0
   46    37    44    53   0.54000  1.0 3.0
   46    37    44    55   3.69350  1.0 1.0
   46    37    44    55  -1.82950 -1.0 2.0
   46    37    77    66   0.86500  1.0 1.0
   46    37    77    66  -0.17500 -1.0 2.0
   46    37    77    66   0.20800  1.0 3.0
   46    37    77    78   0.86500  1.0 1.0
   46    37    77    78  -0.17500 -1.0 2.0
   46    37    77    78   0.20800  1.0 3.0
   46    37    77    81   3.69350  1.0 1.0
   46    37    77    81  -1.82950 -1.0 2.0
   38    33    37    44   0.56750  1.0 1.0
   38    33    37    44  -0.07550 -1.0 2.0
   38    33    37    44   0.20000  1.0 3.0
   38    33    37    77   0.47050  1.0 1.0
   38    33    37    77   0.03900 -1.0 2.0
   38    33    37    77   0.20100  1.0 3.0
   38    33    37    46   0.86500  1.0 1.0
   38    33    37    46  -0.17500 -1.0 2.0
   38    33    37    46   0.20800  1.0 3.0
   38    33    42    43   0.15000  1.0 3.0
   38    33    42    48   0.56750  1.0 1.0
   38    33    42    48  -0.07550 -1.0 2.0
   38    33    42    48   0.20000  1.0 3.0
   38    33    42    51   0.86500  1.0 1.0
   38    33    42    51  -0.17500 -1.0 2.0
   38    33    42    51   0.20800  1.0 3.0
   42    33    37    44   0.56750  1.0 1.0
   42    33    37    44  -0.07550 -1.0 2.0
   42    33    37    44   0.20000  1.0 3.0
   42    33    37    77   0.47050  1.0 1.0
   42    33    37    77   0.03900 -1.0 2.0
   42    33    37    77   0.20100  1.0 3.0
   42    33    37    46   0.86500  1.0 1.0
   42    33    37    46  -0.17500 -1.0 2.0
   42    33    37    46   0.20800  1.0 3.0
   42    33    38    39   0.15000  1.0 3.0
   42    33    38    40   0.15000  1.0 3.0
   42    33    38    41   0.15000  1.0 3.0
   42    48    56    57   0.00000  1.0 1.0
   42    48    56    65   0.09850  1.0 1.0
   42    48    56    65   0.15250 -1.0 2.0
   42    48    56    65  -0.50650  1.0 3.0
   43    42    48    49   0.15000  1.0 3.0
   43    42    48    50   0.15000  1.0 3.0
   43    42    48    56   0.15000  1.0 3.0
   43    42    51    52   0.19450  1.0 3.0
   48    42    51    52  -0.11600  1.0 1.0
   48    42    51    52  -0.09450 -1.0 2.0
   48    42    51    52   0.21250  1.0 3.0
   48    56    65    69   7.00000 -1.0 2.0
   48    56    65    73   7.00000 -1.0 2.0
   49    48    56    57   0.33100  1.0 3.0
   49    48    56    65   0.00000  1.0 1.0
   50    48    56    57   0.33100  1.0 3.0
   50    48    56    65   0.00000  1.0 1.0
   56    65    69    70   0.00000  1.0 1.0
   56    65    69    71   0.00000  1.0 1.0
   56    65    69    72   0.00000  1.0 1.0
   56    65    73    74   0.00000  1.0 1.0
   56    65    73    75   0.00000  1.0 1.0
   56    65    73    76   0.00000  1.0 1.0
   57    56    65    69   7.00000 -1.0 2.0
   57    56    65    73   7.00000 -1.0 2.0
   69    65    73    74   0.34800  1.0 3.0
   69    65    73    75   0.34800  1.0 3.0
   69    65    73    76   0.34800  1.0 3.0
   73    65    69    70   0.34800  1.0 3.0
   73    65    69    71   0.34800  1.0 3.0
   73    65    69    72   0.34800  1.0 3.0
   51    42    48    49   0.23400  1.0 3.0
   51    42    48    50   0.23400  1.0 3.0
   51    42    48    56   1.05650  1.0 1.0
   51    42    48    56   0.15600 -1.0 2.0
   51    42    48    56   0.53150  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
   44    58    53    54  10.50000 -1.0 2.0
   48    57    56    65  15.00000 -1.0 2.0
   69    73    65    56  15.00000 -1.0 2.0
END
