* LIGAND DATABASE FILE (OPLS2005)
*
001      86    88    167    263     498
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02125    98.65802   -52.47310
    3     1 S   H    _H1_     3     1.02056    80.03552    55.15179
    4     1 S   H    _H2_     4     1.02099    36.10689  -162.34925
    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     1.08638   110.54412    58.87164
   26    24 S   HC   HB22    34     1.08575   109.90351   179.04879
   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   _C16    36     1.81979    98.23237  -178.15506
   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   _C7_    37     1.50754   111.33261   179.98022
   38    33 S   OH   _O23    85     1.42203   110.93494   -56.70562
   39    38 S   HO   _H52    86     0.97081   106.65498    56.11851
   40    37 S   CMA  _C6_    38     1.36007   122.24458   -94.74118
   41    40 S   OM   _O21    39     1.26296   129.22559  -176.86831
   42    37 S   CT   _C23    75     1.51735   115.69623    86.73178
   43    42 S   HC   _H51    76     1.09138   106.92848    -1.46487
   44    40 S   CM   _C4_    40     1.50203   118.40068     4.17659
   45    42 S   CT   _C21    77     1.51848   109.65358   117.03981
   46    45 S   HC   _H45    78     1.09544   111.87846    63.01712
   47    45 S   HC   _H46    79     1.09615   111.41339   -57.81407
   48    45 S   HC   _H47    80     1.09550   110.01417  -177.08020
   49    42 S   CT   _C22    81     1.51951   110.14045  -119.75376
   50    49 S   HC   _H48    82     1.09547   111.39676   -62.98769
   51    49 S   HC   _H49    83     1.09631   111.92078   176.23007
   52    49 S   HC   _H50    84     1.09556   110.02563    56.43642
   53    44 S   CM   _C5_    41     1.35643   122.16636   -18.63739
   54    44 S   CT   _C9_    60     1.53200   118.06909   160.31086
   55    54 S   HC   _H25    61     1.09891   107.63068   -61.96141
   56    54 S   HC   _H26    62     1.09692   110.81088    54.86183
   57    33 S   CO4  _C8_    42     1.52021   108.42106    59.63089
   58    57 S   O    _O22    43     1.22958   121.62332  -101.61714
   59    53 S   CT   _C15    44     1.54397   124.82336   179.91377
   60    59 S   CT   _C12    45     1.55432   112.23865  -144.75551
   61    60 S   HC   _H31    46     1.09797   109.62965    49.72315
   62    60 S   HC   _H32    47     1.09463   111.17083   -67.64854
   63    59 S   CT   _C18    71     1.54606   105.54508    96.20894
   64    63 S   HC   _H36    72     1.08276   108.83640   179.97202
   65    63 S   HC   _H37    73     1.08229   108.89591    59.99421
   66    63 S   HC   _H38    74     1.08218   108.84673   -60.07087
   67    60 S   CT   _C11    48     1.52717   113.72828   171.48055
   68    67 S   HC   _H29    49     1.09594   110.65395    65.64483
   69    67 S   HC   _H30    50     1.09630   108.88996  -178.24945
   70    67 S   CT   _C13    51     1.52110   111.79429   -57.88703
   71    70 S   HC   _H33    52     1.09820   109.13260   179.06728
   72    70 S   HC   _H34    53     1.09845   107.83758   -66.26857
   73    70 S   CT   _C17    54     1.54678   113.87668    55.28414
   74    59 S   CT   _C14    55     1.57424   107.83637   -26.94798
   75    74 S   HC   _H35    56     1.10477   105.03545   -56.97459
   76    73 S   CT   _C19    63     1.55227   106.59045  -167.90657
   77    76 S   HC   _H39    64     1.08060   108.53812  -179.96574
   78    76 S   HC   _H40    65     1.08070   108.53389    60.03491
   79    76 S   HC   _H41    66     1.08059   108.54684   -60.04757
   80    73 S   CT   _C20    67     1.54076   110.21455    77.31420
   81    80 S   HC   _H42    68     1.08374   109.20132  -180.00000
   82    80 S   HC   _H43    69     1.08457   109.17649    60.00196
   83    80 S   HC   _H44    70     1.08445   109.13596   -59.94636
   84    74 S   CT   _C10    57     1.53253   109.67437    55.77369
   85    84 S   HC   _H27    58     1.09467   111.69758   179.03632
   86    84 S   HC   _H28    59     1.09517   111.07066    61.31451
  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   9   5   4   3
  14   2   1   1  19   6   1  13   4  11   8  13   7   3   2   1
   3   2   1   1  18  10   5   4   5   1  19  16   7   6   8   3
   2   1   9   5   4  14   5   4  13  12   5   8   3   2   1   4
   2   1   1   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    57    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    53    57    58    42    38    39  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    44    53    57    58    59    42    43    45    49    38    39  
   35    36  
   36  
    0  
   40    41    44    53    57    58    54    42    43    45    46    47    48    49    50    51    52    38    39  
   39    40    42    53    57    58  
   57  
   41    44    53    57    59    84    54    55    56    42    43    45    49  
   44    53    54    42  
   43    45    46    47    48    49    50    51    52    44    57  
   45    46    47    48    49    50    51    52  
   53    57    58    59    60    74    84    85    86    54    55    56    63  
   46    47    48    49    50    51    52  
   47    48    49  
   48    49  
   49  
   50    51    52  
   51    52  
   52  
    0  
   57    58    59    60    61    62    67    73    74    75    84    54    55    56    63    64    65    66  
   55    56    57    59    73    74    75    84    85    86  
   56    74    84    85    86  
   74    84    85    86  
   58    59    60    74    63  
   59  
   60    61    62    67    68    69    70    73    74    75    84    85    86    76    80    63    64    65    66  
   61    62    67    68    69    70    71    72    73    74    75    84    63    64    65    66  
   62    67    68    69    70    74    63  
   67    68    69    70    74    63  
   64    65    66    67    73    74    75    84  
   65    66    74  
   66    74  
   74  
   68    69    70    71    72    73    74    76    80  
   69    70    71    72    73  
   70    71    72    73  
   71    72    73    74    75    84    76    77    78    79    80    81    82    83  
   72    73    74    76    80  
   73    74    76    80  
   74    75    84    85    86    76    77    78    79    80    81    82    83  
   75    84    85    86    76    77    78    79    80    81    82    83  
   84    85    86    76    80  
   77    78    79    80    81    82    83    84  
   78    79    80  
   79    80  
   80  
   81    82    83    84  
   82    83  
   83  
    0  
   85    86  
   86  
    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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   39   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   40   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   45   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   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  1.510
   33    57   317.000  1.522
   33    38   320.000  1.410
   37    40   465.000  1.376
   37    42   317.000  1.510
   40    41   745.000  1.250
   40    44   465.000  1.376
   44    53   549.000  1.340
   44    54   317.000  1.510
   53    57   320.000  1.462
   53    59   317.000  1.510
   57    58   570.000  1.229
   59    60   268.000  1.529
   59    74   268.000  1.529
   59    63   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   268.000  1.529
   73    74   268.000  1.529
   73    76   268.000  1.529
   73    80   268.000  1.529
   74    75   340.000  1.090
   74    84   268.000  1.529
   84    85   340.000  1.090
   84    86   340.000  1.090
   84    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   42    43   340.000  1.090
   42    45   268.000  1.529
   42    49   268.000  1.529
   45    46   340.000  1.090
   45    47   340.000  1.090
   45    48   340.000  1.090
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
   38    39   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    57    75.00000  110.18000
   29    33    38    85.00000  114.68000
   33    37    40    70.00000  124.00000
   33    37    42    65.00000  117.92700
   33    57    53    65.00000  118.62400
   33    57    58    80.00000  120.40000
   33    38    39    55.00000  108.50000
   37    40    41    65.00000  137.10300
   37    40    44    70.00000  123.01800
   37    42    43    35.00000  109.50000
   37    42    45    70.00000  112.02700
   37    42    49    70.00000  112.02700
   40    44    53    70.00000  117.34000
   40    44    54    70.00000  124.00000
   44    40    41    65.00000  137.10300
   44    53    57    65.00000  118.96000
   44    53    59    70.00000  124.00000
   44    54    84    70.00000  112.02700
   44    54    55    35.00000  109.50000
   44    54    56    35.00000  109.50000
   53    57    58    80.00000  123.72100
   53    59    60    70.00000  112.02700
   53    59    74    70.00000  112.02700
   53    59    63    70.00000  112.02700
   57    33    37    70.00000  109.06800
   59    53    57    65.00000  116.34900
   59    60    61    37.50000  110.70000
   59    60    62    37.50000  110.70000
   59    60    67    58.35000  112.70000
   59    74    73    58.35000  112.70000
   59    74    75    37.50000  110.70000
   59    74    84    58.35000  112.70000
   59    63    64    37.50000  110.70000
   59    63    65    37.50000  110.70000
   59    63    66    37.50000  110.70000
   60    67    68    37.50000  110.70000
   60    67    69    37.50000  110.70000
   60    67    70    58.35000  112.70000
   62    60    61    33.00000  107.80000
   67    60    61    37.50000  110.70000
   67    60    62    37.50000  110.70000
   67    70    71    37.50000  110.70000
   67    70    72    37.50000  110.70000
   67    70    73    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    37.50000  110.70000
   70    67    69    37.50000  110.70000
   70    73    74    58.35000  112.70000
   70    73    76    58.35000  112.70000
   70    73    80    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    37.50000  110.70000
   73    70    72    37.50000  110.70000
   73    74    75    37.50000  110.70000
   73    74    84    58.35000  112.70000
   73    76    77    37.50000  110.70000
   73    76    78    37.50000  110.70000
   73    76    79    37.50000  110.70000
   73    80    81    37.50000  110.70000
   73    80    82    37.50000  110.70000
   73    80    83    37.50000  110.70000
   74    59    60    58.35000  112.70000
   74    84    85    37.50000  110.70000
   74    84    86    37.50000  110.70000
   74    84    54    58.35000  112.70000
   84    74    75    37.50000  110.70000
   84    54    55    37.50000  110.70000
   84    54    56    37.50000  110.70000
   86    84    85    33.00000  107.80000
   54    44    53    70.00000  124.00000
   54    84    85    37.50000  110.70000
   54    84    86    37.50000  110.70000
   56    54    55    33.00000  107.80000
   76    73    74    58.35000  112.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   80    73    74    58.35000  112.70000
   80    73    76    58.35000  112.70000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   63    59    60    58.35000  112.70000
   63    59    74    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   42    37    40    70.00000  124.00000
   42    45    46    37.50000  110.70000
   42    45    47    37.50000  110.70000
   42    45    48    37.50000  110.70000
   42    49    50    37.50000  110.70000
   42    49    51    37.50000  110.70000
   42    49    52    37.50000  110.70000
   45    42    43    37.50000  110.70000
   47    45    46    33.00000  107.80000
   48    45    46    33.00000  107.80000
   48    45    47    33.00000  107.80000
   49    42    43    37.50000  110.70000
   49    42    45    58.35000  112.70000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
   38    33    37    90.00000  110.39200
   38    33    57    90.00000  109.61100
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    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   0.21350  1.0 3.0
   24    29    33    38   0.13850  1.0 1.0
   24    29    33    38  -1.34450 -1.0 2.0
   24    29    33    38   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    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    37    42   0.30250  1.0 1.0
   29    33    37    42  -0.14950 -1.0 2.0
   29    33    37    42   0.36900  1.0 3.0
   29    33    57    53   0.65300  1.0 1.0
   29    33    57    53  -0.03850 -1.0 2.0
   29    33    57    53   0.33900  1.0 3.0
   29    33    57    58   0.30150 -1.0 2.0
   29    33    38    39   0.35600  1.0 1.0
   29    33    38    39  -0.10750 -1.0 2.0
   29    33    38    39  -0.54400  1.0 3.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37    40    44   7.00000 -1.0 2.0
   33    37    42    43   0.34800  1.0 3.0
   33    37    42    45   0.46850  1.0 1.0
   33    37    42    45   0.08550 -1.0 2.0
   33    37    42    45   0.09800  1.0 3.0
   33    37    42    49   0.46850  1.0 1.0
   33    37    42    49   0.08550 -1.0 2.0
   33    37    42    49   0.09800  1.0 3.0
   37    33    57    53   0.65300  1.0 1.0
   37    33    57    53  -0.03850 -1.0 2.0
   37    33    57    53   0.33900  1.0 3.0
   37    33    57    58   0.30150 -1.0 2.0
   37    33    38    39  -0.07800  1.0 1.0
   37    33    38    39  -0.21500 -1.0 2.0
   37    33    38    39  -0.03150  1.0 3.0
   37    40   -44    53   7.00000 -1.0 2.0
   37    40    44    54   7.00000 -1.0 2.0
   37    42    45    46   0.15000  1.0 3.0
   37    42    45    47   0.15000  1.0 3.0
   37    42    45    48   0.15000  1.0 3.0
   37    42    49    50   0.15000  1.0 3.0
   37    42    49    51   0.15000  1.0 3.0
   37    42    49    52   0.15000  1.0 3.0
   40    37    42    43   0.00000  1.0 1.0
   40    37    42    45   0.09850  1.0 1.0
   40    37    42    45   0.15250 -1.0 2.0
   40    37    42    45  -0.50650  1.0 3.0
   40    37    42    49   0.09850  1.0 1.0
   40    37    42    49   0.15250 -1.0 2.0
   40    37    42    49  -0.50650  1.0 3.0
   40    44    53    57   7.00000 -1.0 2.0
   40    44    53    59   7.00000 -1.0 2.0
   40    44    54    84   0.09850  1.0 1.0
   40    44    54    84   0.15250 -1.0 2.0
   40    44    54    84  -0.50650  1.0 3.0
   40    44    54    55   0.00000  1.0 1.0
   40    44    54    56   0.00000  1.0 1.0
   41    40    44    53   7.00000 -1.0 2.0
   41    40    44    54   7.00000 -1.0 2.0
   44    53   -57    33  -0.33500  1.0 1.0
   44    53   -57    33   1.06600 -1.0 2.0
   44    53   -57    33  -0.14000  1.0 3.0
   44    53    57    58   1.00000 -1.0 2.0
   44    53    59    60   0.09850  1.0 1.0
   44    53    59    60   0.15250 -1.0 2.0
   44    53    59    60  -0.50650  1.0 3.0
   44    53    59    74   0.09850  1.0 1.0
   44    53    59    74   0.15250 -1.0 2.0
   44    53    59    74  -0.50650  1.0 3.0
   44    53    59    63   0.09850  1.0 1.0
   44    53    59    63   0.15250 -1.0 2.0
   44    53    59    63  -0.50650  1.0 3.0
   53    44    54    84   0.09850  1.0 1.0
   53    44    54    84   0.15250 -1.0 2.0
   53    44    54    84  -0.50650  1.0 3.0
   53    44    54    55   0.00000  1.0 1.0
   53    44    54    56   0.00000  1.0 1.0
   53    59    60    61   0.15000  1.0 3.0
   53    59    60    62   0.15000  1.0 3.0
   53    59    60    67   0.34400  1.0 1.0
   53    59    60    67   0.09450 -1.0 2.0
   53    59    60    67   0.11100  1.0 3.0
   53    59    74    73   0.34400  1.0 1.0
   53    59    74    73   0.09450 -1.0 2.0
   53    59    74    73   0.11100  1.0 3.0
   53    59    74    75   0.15000  1.0 3.0
   53    59   -74    84   0.34400  1.0 1.0
   53    59   -74    84   0.09450 -1.0 2.0
   53    59   -74    84   0.11100  1.0 3.0
   53    59    63    64   0.15000  1.0 3.0
   53    59    63    65   0.15000  1.0 3.0
   53    59    63    66   0.15000  1.0 3.0
   57    33   -37    40  -0.51250  1.0 1.0
   57    33   -37    40  -0.88800 -1.0 2.0
   57    33   -37    40   0.08850  1.0 3.0
   57    33    37    42   0.17250  1.0 1.0
   57    33    37    42  -0.04100 -1.0 2.0
   57    33    37    42  -0.33850  1.0 3.0
   57    33    38    39   0.91850  1.0 1.0
   57    33    38    39   0.57950  1.0 3.0
   57    53    59    60   0.09700  1.0 1.0
   57    53    59    60   0.15600 -1.0 2.0
   57    53    59    60  -0.50800  1.0 3.0
   57    53    59    74   0.09700  1.0 1.0
   57    53    59    74   0.15600 -1.0 2.0
   57    53    59    74  -0.50800  1.0 3.0
   57    53    59    63   0.09700  1.0 1.0
   57    53    59    63   0.15600 -1.0 2.0
   57    53    59    63  -0.50800  1.0 3.0
   59    53    57    33   0.25700  1.0 1.0
   59    53    57    33   0.66200 -1.0 2.0
   59    53    57    33   0.04450  1.0 3.0
   59    53    57    58  -0.64400  1.0 1.0
   59    53    57    58   0.26850 -1.0 2.0
   59    60    67    68   0.15000  1.0 3.0
   59    60    67    69   0.15000  1.0 3.0
   59    60    67    70   0.56750  1.0 1.0
   59    60    67    70  -0.07550 -1.0 2.0
   59    60    67    70   0.20000  1.0 3.0
   59    74    84    85   0.15000  1.0 3.0
   59    74    84    86   0.15000  1.0 3.0
   59    74    84    54   0.56750  1.0 1.0
   59    74    84    54  -0.07550 -1.0 2.0
   59    74    84    54   0.20000  1.0 3.0
   60    59    74    73   0.56750  1.0 1.0
   60    59    74    73  -0.07550 -1.0 2.0
   60    59    74    73   0.20000  1.0 3.0
   60    59    74    75   0.15000  1.0 3.0
   60    59    74    84   0.56750  1.0 1.0
   60    59    74    84  -0.07550 -1.0 2.0
   60    59    74    84   0.20000  1.0 3.0
   60    59    63    64   0.15000  1.0 3.0
   60    59    63    65   0.15000  1.0 3.0
   60    59    63    66   0.15000  1.0 3.0
   60    67    70    71   0.15000  1.0 3.0
   60    67    70    72   0.15000  1.0 3.0
   60    67   -70    73   0.56750  1.0 1.0
   60    67   -70    73  -0.07550 -1.0 2.0
   60    67   -70    73   0.20000  1.0 3.0
   61    60    67    68   0.15000  1.0 3.0
   61    60    67    69   0.15000  1.0 3.0
   61    60    67    70   0.15000  1.0 3.0
   62    60    67    68   0.15000  1.0 3.0
   62    60    67    69   0.15000  1.0 3.0
   62    60    67    70   0.15000  1.0 3.0
   67    70    73    74   0.56750  1.0 1.0
   67    70    73    74  -0.07550 -1.0 2.0
   67    70    73    74   0.20000  1.0 3.0
   67    70    73    76   0.56750  1.0 1.0
   67    70    73    76  -0.07550 -1.0 2.0
   67    70    73    76   0.20000  1.0 3.0
   67    70    73    80   0.56750  1.0 1.0
   67    70    73    80  -0.07550 -1.0 2.0
   67    70    73    80   0.20000  1.0 3.0
   68    67    70    71   0.15000  1.0 3.0
   68    67    70    72   0.15000  1.0 3.0
   68    67    70    73   0.15000  1.0 3.0
   69    67    70    71   0.15000  1.0 3.0
   69    67    70    72   0.15000  1.0 3.0
   69    67    70    73   0.15000  1.0 3.0
   70    73   -74    59   0.56750  1.0 1.0
   70    73   -74    59  -0.07550 -1.0 2.0
   70    73   -74    59   0.20000  1.0 3.0
   70    73    74    75   0.15000  1.0 3.0
   70    73    74    84   0.56750  1.0 1.0
   70    73    74    84  -0.07550 -1.0 2.0
   70    73    74    84   0.20000  1.0 3.0
   70    73    76    77   0.15000  1.0 3.0
   70    73    76    78   0.15000  1.0 3.0
   70    73    76    79   0.15000  1.0 3.0
   70    73    80    81   0.15000  1.0 3.0
   70    73    80    82   0.15000  1.0 3.0
   70    73    80    83   0.15000  1.0 3.0
   71    70    73    74   0.15000  1.0 3.0
   71    70    73    76   0.15000  1.0 3.0
   71    70    73    80   0.15000  1.0 3.0
   72    70    73    74   0.15000  1.0 3.0
   72    70    73    76   0.15000  1.0 3.0
   72    70    73    80   0.15000  1.0 3.0
   73    74    84    85   0.15000  1.0 3.0
   73    74    84    86   0.15000  1.0 3.0
   73    74    84    54   0.56750  1.0 1.0
   73    74    84    54  -0.07550 -1.0 2.0
   73    74    84    54   0.20000  1.0 3.0
   74    59    60    61   0.15000  1.0 3.0
   74    59    60    62   0.15000  1.0 3.0
   74    59   -60    67   0.56750  1.0 1.0
   74    59   -60    67  -0.07550 -1.0 2.0
   74    59   -60    67   0.20000  1.0 3.0
   74    59    63    64   0.15000  1.0 3.0
   74    59    63    65   0.15000  1.0 3.0
   74    59    63    66   0.15000  1.0 3.0
   74    73    76    77   0.15000  1.0 3.0
   74    73    76    78   0.15000  1.0 3.0
   74    73    76    79   0.15000  1.0 3.0
   74    73    80    81   0.15000  1.0 3.0
   74    73    80    82   0.15000  1.0 3.0
   74    73    80    83   0.15000  1.0 3.0
   74    84   -54    44   0.34400  1.0 1.0
   74    84   -54    44   0.09450 -1.0 2.0
   74    84   -54    44   0.11100  1.0 3.0
   74    84    54    55   0.15000  1.0 3.0
   74    84    54    56   0.15000  1.0 3.0
   75    74    84    85   0.15000  1.0 3.0
   75    74    84    86   0.15000  1.0 3.0
   75    74    84    54   0.15000  1.0 3.0
   85    84    54    44   0.15000  1.0 3.0
   85    84    54    55   0.15000  1.0 3.0
   85    84    54    56   0.15000  1.0 3.0
   86    84    54    44   0.15000  1.0 3.0
   86    84    54    55   0.15000  1.0 3.0
   86    84    54    56   0.15000  1.0 3.0
   54    44    53    57   7.00000 -1.0 2.0
   54    44   -53    59   7.00000 -1.0 2.0
   76    73    74    59   0.56750  1.0 1.0
   76    73    74    59  -0.07550 -1.0 2.0
   76    73    74    59   0.20000  1.0 3.0
   76    73    74    75   0.15000  1.0 3.0
   76    73    74    84   0.56750  1.0 1.0
   76    73    74    84  -0.07550 -1.0 2.0
   76    73    74    84   0.20000  1.0 3.0
   76    73    80    81   0.15000  1.0 3.0
   76    73    80    82   0.15000  1.0 3.0
   76    73    80    83   0.15000  1.0 3.0
   80    73    74    59   0.56750  1.0 1.0
   80    73    74    59  -0.07550 -1.0 2.0
   80    73    74    59   0.20000  1.0 3.0
   80    73    74    75   0.15000  1.0 3.0
   80    73    74    84   0.56750  1.0 1.0
   80    73    74    84  -0.07550 -1.0 2.0
   80    73    74    84   0.20000  1.0 3.0
   80    73    76    77   0.15000  1.0 3.0
   80    73    76    78   0.15000  1.0 3.0
   80    73    76    79   0.15000  1.0 3.0
   63    59    60    61   0.15000  1.0 3.0
   63    59    60    62   0.15000  1.0 3.0
   63    59    60    67   0.56750  1.0 1.0
   63    59    60    67  -0.07550 -1.0 2.0
   63    59    60    67   0.20000  1.0 3.0
   63    59    74    73   0.56750  1.0 1.0
   63    59    74    73  -0.07550 -1.0 2.0
   63    59    74    73   0.20000  1.0 3.0
   63    59    74    75   0.15000  1.0 3.0
   63    59    74    84   0.56750  1.0 1.0
   63    59    74    84  -0.07550 -1.0 2.0
   63    59    74    84   0.20000  1.0 3.0
   42    37    40    41   7.00000 -1.0 2.0
   42    37    40    44   7.00000 -1.0 2.0
   43    42    45    46   0.15000  1.0 3.0
   43    42    45    47   0.15000  1.0 3.0
   43    42    45    48   0.15000  1.0 3.0
   43    42    49    50   0.15000  1.0 3.0
   43    42    49    51   0.15000  1.0 3.0
   43    42    49    52   0.15000  1.0 3.0
   45    42    49    50   0.15000  1.0 3.0
   45    42    49    51   0.15000  1.0 3.0
   45    42    49    52   0.15000  1.0 3.0
   49    42    45    46   0.15000  1.0 3.0
   49    42    45    47   0.15000  1.0 3.0
   49    42    45    48   0.15000  1.0 3.0
   38    33    37    40   0.67800  1.0 1.0
   38    33    37    40   0.47050 -1.0 2.0
   38    33    37    40  -0.62500  1.0 3.0
   38    33    37    42   0.18000  1.0 1.0
   38    33    37    42   0.16450 -1.0 2.0
   38    33    37    42   0.04450  1.0 3.0
   38    33    57    53   0.65300  1.0 1.0
   38    33    57    53  -0.03850 -1.0 2.0
   38    33    57    53   0.33900  1.0 3.0
   38    33    57    58   0.30150 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    42    37    40   1.10000 -1.0 2.0
   44    41    40    37   1.10000 -1.0 2.0
   40    54    44    53   1.10000 -1.0 2.0
   57    59    53    44   1.10000 -1.0 2.0
   33    53    57    58  10.50000 -1.0 2.0
END
