* LIGAND DATABASE FILE (OPLS2005)
*
001      88    91    161    261     480
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02084    89.30532    41.53189
    3     1 S   H    _H1_     3     1.02112    32.89359   168.97695
    4     1 S   H    _H2_     4     1.02127    91.19185   -67.13572
    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     1.84264    97.53949   161.86771
   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   CM   _C15    37     1.51434   108.96142   -60.00976
   38    33 S   CT   _C20    69     1.55837   108.69849    64.59489
   39    38 S   HC   _H39    70     1.09839   107.86871   -40.16832
   40    33 S   OH   _O33    87     1.43498   109.96890  -176.61476
   41    40 S   HO   _H54    88     0.96738   106.10812   178.05449
   42    37 S   CO4  _C16    38     1.49424   120.23552   113.12412
   43    42 S   O    _O27    39     1.23266   120.65796  -155.96310
   44    38 S   NTH0 _N24    71     1.46837   110.27760    77.02531
   45    37 S   CMA  _C17    82     1.34454   124.03987   -72.04854
   46    45 S   OM   _O25    83     1.26157   130.11141  -175.09484
   47    42 S   CT   _C21    40     1.52888   118.56367    24.99790
   48    44 S   CT   _C24    72     1.45940   110.15694  -157.63857
   49    48 S   HC   _H43    73     1.09353   110.11623  -179.94405
   50    48 S   HC   _H44    74     1.09356   110.22996    60.02597
   51    48 S   HC   _H45    75     1.09353   110.25914   -59.94815
   52    44 S   CT   _C25    76     1.45994   110.14916    79.89505
   53    52 S   HC   _H46    77     1.09328   110.11013   179.92598
   54    52 S   HC   _H47    78     1.09416   110.20721    59.98663
   55    52 S   HC   _H48    79     1.09312   110.26562   -60.02051
   56    45 S   NE   _N23    84     1.37380   120.06598     4.91075
   57    56 S   H    _H49    85     1.01133   119.41971     0.02798
   58    56 S   H    _H50    86     1.01316   120.24272   179.95577
   59    47 S   CO4  _C14    41     1.53311   112.20258  -121.40366
   60    59 S   O    _O26    42     1.22971   121.82845   -28.43951
   61    47 S   OH   _O30    80     1.42712   105.48074   124.98025
   62    61 S   HO   _H53    81     0.96969   106.59569    58.63458
   63    59 S   CA   _C8_    43     1.48667   119.07815   153.47888
   64    63 S   CA   _C9_    44     1.39697   120.25756     0.28462
   65    64 S   CA   _C10    45     1.40251   119.06922   179.33973
   66    64 S   CT   _C18    64     1.50069   121.35580     2.02081
   67    66 S   HC   _H36    65     1.09879   107.89904    91.28497
   68    66 S   HC   _H37    66     1.09648   111.92529  -152.39724
   69    65 S   CA   _C6_    46     1.40463   121.36145     1.19779
   70    65 S   CT   _C23    60     1.50185   115.43405  -177.32197
   71    70 S   HC   _H40    61     1.09312   109.88007   -91.50642
   72    70 S   HC   _H41    62     1.09396   110.77956    29.05384
   73    70 S   HC   _H42    63     1.09495   110.76365   148.00902
   74    47 S   CT   _C19    67     1.54101   112.47270     6.70473
   75    74 S   HC   _H38    68     1.09656   107.82863    64.70353
   76    69 S   CA   _C7_    47     1.41347   119.19914    -0.50435
   77    76 S   CA   _C11    48     1.40452   119.19794   179.92087
   78    63 S   CA   _C12    57     1.40112   119.45104  -179.16350
   79    77 S   CA   _C4_    49     1.39478   120.77620     0.11191
   80    79 S   HA   _H34    50     1.08652   120.49979  -179.97202
   81    77 S   OH   _O28    55     1.36648   123.10702  -180.00000
   82    81 S   HO   _H51    56     0.96919   109.99273   180.00000
   83    78 S   OH   _O29    58     1.36835   119.57492    -0.02798
   84    83 S   HO   _H52    59     0.96860   109.88776     0.04846
   85    79 S   CA   _C5_    51     1.39123   119.97067    -0.07662
   86    85 S   HA   _H35    52     1.08819   118.38956  -179.85196
   87    69 S   CA   _C13    53     1.40459   121.47527   179.54716
   88    87 S   Cl   CL33    54     1.73872   126.95361    -0.61421
  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  10   5   4   3
  17   2   1   1  16  23   8   5   1  13   5  12   5   3  12   8
   3   2   1   4   2   1   1   2   1   1  12   5   5   1  13  15
  15   7   3   2  14   5   2   1   1   1   1  11   9   5   7   4
   2   1   1   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    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    74    38    39    44    45    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    43    47    66    74    75    38    39    44    48    52    45    46    56    40    41  
   35    36  
   36  
    0  
   42    43    47    59    74    38    39    44    61    45    46    56    57    58    40    41  
   39    44    48    49    50    51    52    53    54    55    61    45    40    41    42    47    59    64    66    67    68    74    75  
   44    48    52    40    47    66    74    75  
   41    42    44    45    74  
    0  
   43    47    59    60    63    66    74    75    61    62    45    46    56  
   47    59    74    61    45  
   48    49    50    51    52    53    54    55    47    66    74    75  
   46    56    57    58    47  
   56    57    58  
   59    60    63    64    78    66    67    68    74    75    61    62  
   49    50    51    52    53    54    55    74  
   50    51    52  
   51    52  
   52  
   53    54    55    74  
   54    55  
   55  
    0  
   57    58  
   58  
    0  
   60    63    64    65    76    78    83    66    74    75    61    62  
   63    64    78    74    61  
   62    63    66    74    75  
   74  
   64    65    69    76    77    78    83    84    70    66    67    68    74  
   65    69    76    87    78    83    70    71    72    73    66    67    68    74    75  
   69    76    77    85    87    88    78    70    71    72    73    66    67    68    74  
   67    68    74    75    69    70    78  
   68    74    75  
   74    75  
   76    77    79    85    86    87    88    81    78    83    70    71    72    73  
   71    72    73    76    87  
   72    73  
   73  
    0  
   75  
    0  
   77    79    80    85    87    88    81    82    78    83    84  
   79    80    85    86    87    81    82    78    83  
   83    84    79    81    87  
   80    85    86    87    88    81    82  
   85    86    87    81  
   82    85  
    0  
   84  
    0  
   86    87    88  
   87    88  
   88  
    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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   41   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   45   3.5500   0.0760   0.497600   2.0020   1.7750   0.023028004  -0.852763146
   46   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   47   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.2500   0.1700  -1.229900   1.8650   1.6500   0.051222218  -2.220205820
   57   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   58   0.5000   0.0300   0.353700   0.9960   0.8600   0.030040813  -0.651083722
   59   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   62   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   63   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   65   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   66   3.5000   0.0660  -0.005000   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   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   70   3.5000   0.0660  -0.065000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   77   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   78   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   81   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   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
   85   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   86   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   87   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   88   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
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  1.510
   33    38   268.000  1.529
   33    40   320.000  1.410
   37    42   320.000  1.462
   37    45   465.000  1.376
   42    43   570.000  1.229
   42    47   317.000  1.522
   47    59   317.000  1.522
   47    74   268.000  1.529
   47    61   320.000  1.410
   59    60   570.000  1.229
   59    63   310.000  1.470
   63    64   469.000  1.400
   63    78   469.000  1.400
   64    65   469.000  1.400
   64    66   317.000  1.510
   65    69   469.000  1.400
   65    70   317.000  1.510
   69    76   469.000  1.400
   69    87   469.000  1.400
   76    77   469.000  1.400
   76    78   469.000  1.400
   77    79   469.000  1.400
   77    81   450.000  1.364
   79    80   367.000  1.080
   79    85   469.000  1.400
   85    86   367.000  1.080
   85    87   469.000  1.400
   87    88   300.000  1.725
   81    82   553.000  0.945
   78    83   450.000  1.364
   83    84   553.000  0.945
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    74   268.000  1.529
   74    75   340.000  1.090
   74    38   268.000  1.529
   38    39   340.000  1.090
   38    44   310.000  1.447
   44    48   310.000  1.447
   44    52   310.000  1.447
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   61    62   553.000  0.945
   45    46   745.000  1.250
   45    56   415.000  1.382
   56    57   434.000  1.010
   56    58   434.000  1.010
   40    41   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  112.20000
   29    33    38    75.00000  111.63000
   29    33    40    85.00000  114.68000
   33    37    42    65.00000  116.34900
   33    37    45    70.00000  124.00000
   33    38    74    58.35000  112.70000
   33    38    39    37.50000  110.70000
   33    38    44    75.00000  113.73300
   33    40    41    55.00000  108.50000
   37    42    43    80.00000  123.72100
   37    42    47    65.00000  118.62400
   37    45    46    65.00000  137.10300
   37    45    56    75.00000  114.40000
   42    47    59    75.00000  107.99600
   42    47    74    63.00000  111.10000
   42    47    61    90.00000  109.61100
   47    42    43    80.00000  120.40000
   47    59    60    80.00000  120.40000
   47    59    63    65.00000  115.47100
   47    74    66    58.35000  112.70000
   47    74    75    37.50000  110.70000
   47    74    38    58.35000  112.70000
   47    61    62    55.00000  108.50000
   59    63    64    60.00000  119.52600
   59    63    78    60.00000  119.52600
   63    59    60    75.00000  123.78400
   63    64    65    63.00000  120.00000
   63    64    66    70.00000  120.00000
   63    78    76    63.00000  120.00000
   63    78    83    70.00000  120.00000
   64    65    69    63.00000  120.00000
   64    65    70    70.00000  120.00000
   64    66    67    35.00000  109.50000
   64    66    68    35.00000  109.50000
   64    66    74    70.00000  112.17500
   65    69    76    63.00000  120.00000
   65    69    87    63.00000  120.00000
   65    70    71    35.00000  109.50000
   65    70    72    35.00000  109.50000
   65    70    73    35.00000  109.50000
   69    76    77    63.00000  120.00000
   69    76    78    63.00000  120.00000
   69    87    85    63.00000  120.00000
   69    87    88    75.00000  120.00000
   76    77    79    63.00000  120.00000
   76    77    81    70.00000  120.00000
   76    78    83    70.00000  120.00000
   77    79    80    35.00000  120.00000
   77    79    85    63.00000  120.00000
   77    81    82    35.00000  113.00000
   79    85    86    35.00000  120.00000
   79    85    87    63.00000  120.00000
   85    79    80    35.00000  120.00000
   85    87    88    75.00000  120.00000
   87    69    76    63.00000  120.00000
   87    85    86    35.00000  120.00000
   81    77    79    70.00000  120.00000
   78    63    64    63.00000  120.00000
   78    76    77    63.00000  120.00000
   78    83    84    35.00000  113.00000
   70    65    69    70.00000  120.00000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   66    64    65    70.00000  120.00000
   66    74    75    37.50000  110.70000
   66    74    38    58.35000  112.70000
   68    66    67    33.00000  107.80000
   74    47    59    63.00000  111.10000
   74    66    67    37.50000  110.70000
   74    66    68    37.50000  110.70000
   74    38    39    37.50000  110.70000
   74    38    44    75.00000  113.73300
   38    33    37    70.00000  112.02700
   38    74    75    37.50000  110.70000
   38    44    48    80.00000  110.40700
   38    44    52    80.00000  110.40700
   44    38    39    50.00000  110.15500
   44    48    49    50.00000  110.15500
   44    48    50    50.00000  110.15500
   44    48    51    50.00000  110.15500
   44    52    53    50.00000  110.15500
   44    52    54    50.00000  110.15500
   44    52    55    50.00000  110.15500
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
   52    44    48    80.00000  110.40700
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   61    47    59    90.00000  109.61100
   61    47    74    50.00000  109.50000
   45    37    42    60.00000  125.92000
   45    56    57    50.00000  121.48000
   45    56    58    50.00000  121.48000
   56    45    46   105.00000  113.92000
   58    56    57    35.00000  109.00000
   40    33    37    90.00000  110.39200
   40    33    38    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  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    40   0.13850  1.0 1.0
   24    29    33    40  -1.34450 -1.0 2.0
   24    29    33    40   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    42   0.09700  1.0 1.0
   29    33    37    42   0.15600 -1.0 2.0
   29    33    37    42  -0.50800  1.0 3.0
   29    33    37    45   0.42700  1.0 1.0
   29    33    37    45  -0.70350 -1.0 2.0
   29    33    37    45  -0.43150  1.0 3.0
   29    33    38    74   0.44750  1.0 1.0
   29    33    38    74  -0.17800 -1.0 2.0
   29    33    38    74   0.20200  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  1.0 3.0
   29    33    40    41   0.35600  1.0 1.0
   29    33    40    41  -0.10750 -1.0 2.0
   29    33    40    41  -0.54400  1.0 3.0
   33    37    42    43  -0.64400  1.0 1.0
   33    37    42    43   0.26850 -1.0 2.0
   33    37    42    47   0.25700  1.0 1.0
   33    37    42    47   0.66200 -1.0 2.0
   33    37    42    47   0.04450  1.0 3.0
   33    37    45    46   7.00000 -1.0 2.0
   33    37    45    56   7.00000 -1.0 2.0
   33    38    44    48   1.99000  1.0 1.0
   33    38    44    48   0.18800 -1.0 2.0
   33    38    44    48   0.81350  1.0 3.0
   33    38    44    52   1.99000  1.0 1.0
   33    38    44    52   0.18800 -1.0 2.0
   33    38    44    52   0.81350  1.0 3.0
   37    33    38    74   0.34400  1.0 1.0
   37    33    38    74   0.09450 -1.0 2.0
   37    33    38    74   0.11100  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    44   0.59950  1.0 1.0
   37    33    38    44  -0.21400 -1.0 2.0
   37    33    38    44   0.56200  1.0 3.0
   37    33    40    41  -0.07800  1.0 1.0
   37    33    40    41  -0.21500 -1.0 2.0
   37    33    40    41  -0.03150  1.0 3.0
   37    42    47    59   0.65300  1.0 1.0
   37    42    47    59  -0.03850 -1.0 2.0
   37    42    47    59   0.33900  1.0 3.0
   37    42   -47    74   0.65300  1.0 1.0
   37    42   -47    74  -0.03850 -1.0 2.0
   37    42   -47    74   0.33900  1.0 3.0
   37    42    47    61   0.65300  1.0 1.0
   37    42    47    61  -0.03850 -1.0 2.0
   37    42    47    61   0.33900  1.0 3.0
   37    45    56    57   1.00000 -1.0 2.0
   37    45    56    58   1.00000 -1.0 2.0
   42    37    45    46   7.00000 -1.0 2.0
   42    37    45    56   7.00000 -1.0 2.0
   42    47    59    60   0.30150 -1.0 2.0
   42    47    59    63   0.65300  1.0 1.0
   42    47    59    63  -0.03850 -1.0 2.0
   42    47    59    63   0.33900  1.0 3.0
   42    47    74    66  -0.95700  1.0 1.0
   42    47    74    66  -0.18200 -1.0 2.0
   42    47    74    66   0.29450  1.0 3.0
   42    47    74    75  -0.11250  1.0 3.0
   42    47    74    38  -0.95700  1.0 1.0
   42    47    74    38  -0.18200 -1.0 2.0
   42    47    74    38   0.29450  1.0 3.0
   42    47    61    62   0.91850  1.0 1.0
   42    47    61    62   0.57950  1.0 3.0
   43    42    47    59   0.30150 -1.0 2.0
   43    42    47    74   0.30150 -1.0 2.0
   43    42    47    61   0.30150 -1.0 2.0
   47    59    63    64   2.26350  1.0 1.0
   47    59    63    64   0.76750 -1.0 2.0
   47    59    63    64   0.22500  1.0 3.0
   47    59    63    78   2.26350  1.0 1.0
   47    59    63    78   0.76750 -1.0 2.0
   47    59    63    78   0.22500  1.0 3.0
   47    74   -38    33   0.56750  1.0 1.0
   47    74   -38    33  -0.07550 -1.0 2.0
   47    74   -38    33   0.20000  1.0 3.0
   47    74    38    39   0.15000  1.0 3.0
   47    74    38    44   1.85550  1.0 1.0
   47    74    38    44  -0.84100 -1.0 2.0
   59    47    74    66  -0.95700  1.0 1.0
   59    47    74    66  -0.18200 -1.0 2.0
   59    47    74    66   0.29450  1.0 3.0
   59    47    74    75  -0.11250  1.0 3.0
   59    47    74    38  -0.95700  1.0 1.0
   59    47    74    38  -0.18200 -1.0 2.0
   59    47    74    38   0.29450  1.0 3.0
   59    47    61    62   0.91850  1.0 1.0
   59    47    61    62   0.57950  1.0 3.0
   59    63    64    65   3.62500 -1.0 2.0
   59    63   -64    66   3.62500 -1.0 2.0
   59    63    78    76   3.62500 -1.0 2.0
   59    63    78    83   3.62500 -1.0 2.0
   60    59    63    64   1.05000 -1.0 2.0
   60    59    63    78   1.05000 -1.0 2.0
   63    64    65    69   3.62500 -1.0 2.0
   63    64    65    70   3.62500 -1.0 2.0
   63    64    66    67   0.00000  1.0 1.0
   63    64    66    68   0.00000  1.0 1.0
   63    64    66    74   0.04150 -1.0 2.0
   63    78    83    84   0.84100 -1.0 2.0
   64    63    78    76   3.62500 -1.0 2.0
   64    63    78    83   3.62500 -1.0 2.0
   64    65   -69    76   3.62500 -1.0 2.0
   64    65    69    87   3.62500 -1.0 2.0
   64    65    70    71   0.00000  1.0 1.0
   64    65    70    72   0.00000  1.0 1.0
   64    65    70    73   0.00000  1.0 1.0
   64    66   -74    47  -0.03700  1.0 1.0
   64    66   -74    47   0.37200 -1.0 2.0
   64    66   -74    47  -0.47300  1.0 3.0
   64    66    74    75   0.43200  1.0 3.0
   64    66    74    38  -0.03700  1.0 1.0
   64    66    74    38   0.37200 -1.0 2.0
   64    66    74    38  -0.47300  1.0 3.0
   65    64    66    67   0.00000  1.0 1.0
   65    64    66    68   0.00000  1.0 1.0
   65    64    66    74   0.04150 -1.0 2.0
   65    69    76    77   3.62500 -1.0 2.0
   65    69    76    78   3.62500 -1.0 2.0
   65    69    87    85   3.62500 -1.0 2.0
   65    69    87    88   3.62500 -1.0 2.0
   69    65    70    71   0.00000  1.0 1.0
   69    65    70    72   0.00000  1.0 1.0
   69    65    70    73   0.00000  1.0 1.0
   69    76    77    79   3.62500 -1.0 2.0
   69    76    77    81   3.62500 -1.0 2.0
   69    76   -78    63   3.62500 -1.0 2.0
   69    76    78    83   3.62500 -1.0 2.0
   76    69    87    85   3.62500 -1.0 2.0
   76    69    87    88   3.62500 -1.0 2.0
   76    77    79    80   3.62500 -1.0 2.0
   76    77   -79    85   3.62500 -1.0 2.0
   76    77    81    82   0.84100 -1.0 2.0
   76    78    83    84   0.84100 -1.0 2.0
   77    76    78    63   3.62500 -1.0 2.0
   77    76    78    83   3.62500 -1.0 2.0
   77    79    85    86   3.62500 -1.0 2.0
   77    79    85    87   3.62500 -1.0 2.0
   79    77    81    82   0.84100 -1.0 2.0
   79    85   -87    69   3.62500 -1.0 2.0
   79    85    87    88   3.62500 -1.0 2.0
   80    79    85    86   3.62500 -1.0 2.0
   80    79    85    87   3.62500 -1.0 2.0
   86    85    87    69   3.62500 -1.0 2.0
   86    85    87    88   3.62500 -1.0 2.0
   87    69   -76    77   3.62500 -1.0 2.0
   87    69    76    78   3.62500 -1.0 2.0
   81    77    79    80   3.62500 -1.0 2.0
   81    77    79    85   3.62500 -1.0 2.0
   78    63   -64    65   3.62500 -1.0 2.0
   78    63    64    66   3.62500 -1.0 2.0
   78    76    77    79   3.62500 -1.0 2.0
   78    76    77    81   3.62500 -1.0 2.0
   70    65    69    76   3.62500 -1.0 2.0
   70    65    69    87   3.62500 -1.0 2.0
   66    64    65    69   3.62500 -1.0 2.0
   66    64    65    70   3.62500 -1.0 2.0
   66    74    38    33   0.56750  1.0 1.0
   66    74    38    33  -0.07550 -1.0 2.0
   66    74    38    33   0.20000  1.0 3.0
   66    74    38    39   0.15000  1.0 3.0
   66    74    38    44   1.85550  1.0 1.0
   66    74    38    44  -0.84100 -1.0 2.0
   67    66    74    47   0.15000  1.0 3.0
   67    66    74    75   0.15000  1.0 3.0
   67    66    74    38   0.15000  1.0 3.0
   68    66    74    47   0.15000  1.0 3.0
   68    66    74    75   0.15000  1.0 3.0
   68    66    74    38   0.15000  1.0 3.0
   74    47    59    60   0.30150 -1.0 2.0
   74    47   -59    63   0.05850 -1.0 2.0
   74    47   -59    63   0.17250  1.0 3.0
   74    47    61    62  -0.11600  1.0 1.0
   74    47    61    62  -0.09450 -1.0 2.0
   74    47    61    62   0.21250  1.0 3.0
   74    38    44    48   1.99000  1.0 1.0
   74    38    44    48   0.18800 -1.0 2.0
   74    38    44    48   0.81350  1.0 3.0
   74    38    44    52   1.99000  1.0 1.0
   74    38    44    52   0.18800 -1.0 2.0
   74    38    44    52   0.81350  1.0 3.0
   75    74    38    33   0.15000  1.0 3.0
   75    74    38    39   0.15000  1.0 3.0
   75    74    38    44   0.15000  1.0 3.0
   38    33   -37    42   0.09700  1.0 1.0
   38    33   -37    42   0.15600 -1.0 2.0
   38    33   -37    42  -0.50800  1.0 3.0
   38    33    37    45   0.09850  1.0 1.0
   38    33    37    45   0.15250 -1.0 2.0
   38    33    37    45  -0.50650  1.0 3.0
   38    33    40    41  -0.11600  1.0 1.0
   38    33    40    41  -0.09450 -1.0 2.0
   38    33    40    41   0.21250  1.0 3.0
   38    44    48    49   0.28000  1.0 3.0
   38    44    48    50   0.28000  1.0 3.0
   38    44    48    51   0.28000  1.0 3.0
   38    44    52    53   0.28000  1.0 3.0
   38    44    52    54   0.28000  1.0 3.0
   38    44    52    55   0.28000  1.0 3.0
   39    38    44    48   0.28000  1.0 3.0
   39    38    44    52   0.28000  1.0 3.0
   48    44    52    53   0.28000  1.0 3.0
   48    44    52    54   0.28000  1.0 3.0
   48    44    52    55   0.28000  1.0 3.0
   52    44    48    49   0.28000  1.0 3.0
   52    44    48    50   0.28000  1.0 3.0
   52    44    48    51   0.28000  1.0 3.0
   61    47    59    60   0.30150 -1.0 2.0
   61    47    59    63   0.65300  1.0 1.0
   61    47    59    63  -0.03850 -1.0 2.0
   61    47    59    63   0.33900  1.0 3.0
   61    47    74    66   0.86500  1.0 1.0
   61    47    74    66  -0.17500 -1.0 2.0
   61    47    74    66   0.20800  1.0 3.0
   61    47    74    75   0.23400  1.0 3.0
   61    47    74    38   0.86500  1.0 1.0
   61    47    74    38  -0.17500 -1.0 2.0
   61    47    74    38   0.20800  1.0 3.0
   45    37    42    43   1.00000 -1.0 2.0
   45    37    42    47  -0.33500  1.0 1.0
   45    37    42    47   1.06600 -1.0 2.0
   45    37    42    47  -0.14000  1.0 3.0
   46    45    56    57   1.00000 -1.0 2.0
   46    45    56    58   1.00000 -1.0 2.0
   40    33    37    42   0.09700  1.0 1.0
   40    33    37    42   0.15600 -1.0 2.0
   40    33    37    42  -0.50800  1.0 3.0
   40    33    37    45   0.67800  1.0 1.0
   40    33    37    45   0.47050 -1.0 2.0
   40    33    37    45  -0.62500  1.0 3.0
   40    33    38    74   0.86500  1.0 1.0
   40    33    38    74  -0.17500 -1.0 2.0
   40    33    38    74   0.20800  1.0 3.0
   40    33    38    39   0.23400  1.0 3.0
   40    33    38    44   3.18500  1.0 1.0
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    42    37    45   1.10000 -1.0 2.0
   37    47    42    43  10.50000 -1.0 2.0
   47    63    59    60  10.50000 -1.0 2.0
   64    78    63    59   4.00000 -1.0 2.0
   65    66    64    63   4.00000 -1.0 2.0
   69    70    65    64   4.00000 -1.0 2.0
   76    87    69    65   4.00000 -1.0 2.0
   77    78    76    69   4.00000 -1.0 2.0
   79    81    77    76   4.00000 -1.0 2.0
   85    80    79    77   1.10000 -1.0 2.0
   87    86    85    79   1.10000 -1.0 2.0
   85    88    87    69   4.00000 -1.0 2.0
   76    83    78    63   4.00000 -1.0 2.0
   56    46    45    37   1.10000 -1.0 2.0
   58    45    56    57   1.00000 -1.0 2.0
END
