* LIGAND DATABASE FILE (OPLS2005)
*
001      98   101    193    314     583
    1     0 S   NP   _N1_     1    29.04001    97.53220   -19.00935
    2     1 S   H    _HN1     2     1.02940    73.14381    31.64782
    3     1 S   H    _H1_     3     1.02832    50.87754   161.50451
    4     1 S   H    _H2_     4     1.02785    84.05687   -79.64559
    5     1 S   CT   _CA1     5     1.50231   159.86978   135.09608
    6     5 S   HC   _HA1     6     1.09589   104.97156    80.93903
    7     5 S   CO3  _C1_     7     1.53729   112.47183   -38.67307
    8     7 S   O2Z  _O11     8     1.26431   115.13297   -38.03942
    9     7 S   O2Z  _O12     9     1.26225   114.94491   140.79852
   10     5 S   CT   _CB1    10     1.53152   107.32182  -161.44879
   11    10 S   HC   HB11    11     1.09826   108.86251   -49.26503
   12    10 S   HC   HB12    12     1.09806   110.52108    67.13796
   13    10 S   CT   _CG1    13     1.53131   113.02970  -170.41064
   14    13 S   HC   HG11    14     1.09546   110.45816   -72.74674
   15    13 S   HC   HG12    15     1.09687   109.82255    46.34152
   16    13 S   C    _CD1    16     1.52103   112.30590   166.21561
   17    16 S   O    _OE1    17     1.22748   123.21621     5.66503
   18    16 S   N    _N2_    18     1.38674   111.85314  -173.62754
   19    18 S   H    _HN2    19     1.01598   118.80893    -1.83355
   20    18 S   CT1  _CA2    20     1.46492   123.52229   173.46256
   21    20 S   HC   _HA2    21     1.09756   109.30740    -8.91350
   22    20 S   C    _C2_    22     1.53490   107.77654  -123.83002
   23    22 S   O    _O2_    23     1.23012   122.54515  -145.70837
   24    20 S   CT   _CB2    32     1.53355   111.93949   113.69386
   25    24 S   HC   HB21    33     1.09558   109.74861    50.83396
   26    24 S   HC   HB22    34     1.09454   110.82282   170.21793
   27    22 S   N    _N3_    24     1.38420   113.33655    41.74678
   28    27 S   H    _HN3    25     1.01635   119.50879    -3.55633
   29    24 S   S    _SG2    35     1.82532   111.04298   -70.27959
   30    27 S   CT   _CA3    26     1.45281   123.16570   177.00899
   31    30 S   HC   HA31    27     1.09551   107.58365   -62.68989
   32    30 S   HC   HA32    28     1.09557   107.88939    53.72141
   33    29 S   CT   _C21    36     1.86273    99.93887   167.37060
   34    33 S   HC   _H8_    37     1.09577   106.44111   -26.61407
   35    30 S   CO3  _C3_    29     1.52945   114.10430   175.68979
   36    35 S   O2Z  _O31    30     1.26369   116.05745     0.32082
   37    35 S   O2Z  _O32    31     1.26426   114.41537  -179.65395
   38    33 S   CT   _C20    38     1.52759   107.50884    88.89125
   39    38 S   HC   _H21    39     1.09636   111.21014   -50.03681
   40    38 S   HC   _H22    40     1.09552   111.17008  -168.87776
   41    38 S   CO4  _C19    41     1.50680   110.80713    71.22733
   42    41 S   O    _O33    42     1.22953   121.80786  -149.14890
   43    41 S   CM   _C18    43     1.48344   118.32604    34.79782
   44    43 S   HC   _H20    44     1.08358   114.44831   170.79523
   45    43 S   CM   _C17    45     1.34713   122.51490    -4.40909
   46    45 S   CT   _C5_    46     1.53114   121.82988   170.26932
   47    46 S   HC   _H3_    47     1.09871   106.84668  -110.47134
   48    46 S   CT   _C6_    48     1.53117   111.13527   132.29579
   49    48 S   HC   _H12    49     1.09720   109.08116   178.22524
   50    48 S   HC   _H13    50     1.09862   109.73461   -65.31556
   51    46 S   CT   _C4_    95     1.53668   116.20436     7.27804
   52    51 S   HC   _H9_    96     1.09561   111.58929    60.85813
   53    51 S   HC   _H10    97     1.09535   111.27479   -60.67212
   54    51 S   HC   _H11    98     1.09591   110.65389  -179.31386
   55    48 S   CT   _C7_    51     1.53503   112.11576    57.37539
   56    55 S   HC   _H4_    52     1.09470   108.22484    63.06390
   57    55 S   CT   _C8_    53     1.53976   110.16444  -176.34998
   58    57 S   HC   _H5_    54     1.10310   105.58590    62.24585
   59    55 S   CT   _C15    68     1.55662   110.11370   -57.58057
   60    59 S   HC   _H7_    69     1.09794   103.00940   -62.60499
   61    57 S   CT   _C9_    55     1.52297   119.26513   -55.86078
   62    61 S   HC   _H14    56     1.09478   112.18452    75.30473
   63    61 S   HC   _H15    57     1.09571   111.50044   -45.49749
   64    33 S   CT   _C16    70     1.58532   114.41636  -145.98750
   65    61 S   CT   _C10    58     1.54225   103.98111  -164.68657
   66    65 S   HC   _H16    59     1.09526   108.61230   132.28276
   67    65 S   HC   _H17    60     1.09621   109.85482  -110.45297
   68    64 S   CT   _C22    71     1.55352   107.84009   168.23513
   69    68 S   HC   _H23    72     1.09469   111.82484   -43.99740
   70    68 S   HC   _H24    73     1.09463   112.20792  -165.21405
   71    68 S   HC   _H25    74     1.09685   111.86300    74.99429
   72    65 S   CT   _C11    61     1.55522   106.66511    10.25827
   73    57 S   CT   _C12    62     1.54898   114.24955  -179.02241
   74    72 S   CO4  _C24    81     1.53667   113.30853   145.73490
   75    74 S   O    _O35    82     1.23283   121.56190    -0.68471
   76    72 S   OH   _O38    93     1.42746   107.89981   -96.85748
   77    76 S   HO   _H35    94     0.97470   109.03493   -63.37307
   78    73 S   CT   _C13    63     1.54552   107.22519   -59.57985
   79    78 S   HC   _H18    64     1.09642   110.08396   -66.91327
   80    78 S   HC   _H19    65     1.09505   109.89843   175.84966
   81    73 S   CT   _C23    77     1.55145   113.00960    62.96246
   82    81 S   HC   _H27    78     1.09496   112.53230    69.96948
   83    81 S   HC   _H28    79     1.09168   113.06705   -50.31905
   84    81 S   HC   _H29    80     1.09521   110.83142  -170.60345
   85    74 S   CT   _C25    83     1.51913   117.56746   179.08764
   86    85 S   HC   _H30    84     1.09359   108.53674    83.90399
   87    85 S   HC   _H31    85     1.09257   109.84979   -37.58118
   88    78 S   CT   _C14    66     1.54192   113.49804    53.45550
   89    88 S   HC   _H6_    67     1.09429   107.25051  -172.77849
   90    85 S   OS   _O36    86     1.42878   108.66279  -156.91619
   91    88 S   OH   _O34    75     1.42111   109.34669    72.25760
   92    91 S   HO   _H26    76     0.97240   107.79570    57.44960
   93    90 S   CO4  _C26    87     1.36269   115.08206  -177.49204
   94    93 S   O    _O37    88     1.22357   126.28033     1.89165
   95    93 S   CT   _C27    89     1.49827   109.58319  -178.33376
   96    95 S   HC   _H32    90     1.09287   109.83841   -61.37841
   97    95 S   HC   _H33    91     1.09380   109.35847   179.53691
   98    95 S   HC   _H34    92     1.09294   109.82330    60.54120
  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
  18   8   2   1   1  10   5   4   6   3   9   3  18  14   9  16
   6   5   5   2   1   1  18   8  22   9  15   6  11   6   5   8
  11   5   4   4   2   1   1  17  15  10   5   4   1  10   5   4
   4   2   1   1   6   3   2   3   2   6   1   1   5   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    64    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    45    59    64    68  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    45    46    55    88    59    60    64    68    69    70    71  
   38    39    40    41    45    59    64    68  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    59    64    68  
   40    41    42    43    64  
   41    42    43    64  
   42    43    44    45    46    64  
   43    44    45  
   44    45    46    47    48    59    64    68    51  
   45    46    64  
   46    47    48    49    50    55    88    59    60    64    68    69    70    71    51    52    53    54  
   47    48    49    50    55    56    57    59    64    68    51    52    53    54  
   48    49    50    55    64    51    52    53    54  
   49    50    55    56    57    58    61    73    88    59    60    64    51    52    53    54  
   50    55    56    57    59    51  
   55    56    57    59    51  
   52    53    54    55    64  
   53    54  
   54  
    0  
   56    57    58    61    62    63    65    72    73    78    88    89    59    60    64    68    91    81  
   57    58    61    73    88    59    60    64  
   58    61    62    63    65    66    67    72    73    78    79    80    88    59    60    64    81    82    83    84    74    76  
   61    62    63    65    72    73    78    59    81  
   60    64    68    69    70    71    91    92    61    73    78    79    80    88    89  
   64    68    91    78    88    89  
   62    63    65    66    67    72    73    78    81    74    76  
   63    65    66    67    72    73  
   65    66    67    72    73  
   68    69    70    71    91    78    88    89  
   66    67    72    73    78    81    74    75    85    76    77  
   67    72    73    74    76  
   72    73    74    76  
   69    70    71    88  
   70    71  
   71  
    0  
   73    78    79    80    88    81    82    83    84    74    75    85    86    87    90    76    77  
   78    79    80    88    89    91    81    82    83    84    74    75    85    76    77  
   75    85    86    87    90    93    76    77    78    81  
   85    86    87    90    76  
   77    78    81    85  
    0  
   79    80    88    89    91    92    81    82    83    84  
   80    88    89    91    81  
   88    89    91    81  
   82    83    84    88  
   83    84  
   84  
    0  
   86    87    90    93    94    95  
   87    90    93  
   90    93  
   89    91    92  
   91    92  
   93    94    95    96    97    98  
   92  
    0  
   94    95    96    97    98  
   95    96    97    98  
   96    97    98  
   97    98  
   98  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   44   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   65   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   73   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   74   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   77   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   78   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5000   0.0660   0.238000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   87   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   88   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   91   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   92   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   93   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   94   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   95   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   96   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   97   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   98   2.4200   0.0150   0.060000   1.3810   1.2100   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    34   340.000  1.090
   33    38   268.000  1.529
   33    64   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   320.000  1.462
   43    44   340.000  1.080
   43    45   549.000  1.340
   45    46   317.000  1.510
   45    64   317.000  1.510
   46    47   340.000  1.090
   46    48   268.000  1.529
   46    51   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    55   268.000  1.529
   55    56   340.000  1.090
   55    57   268.000  1.529
   55    59   268.000  1.529
   57    58   340.000  1.090
   57    61   268.000  1.529
   57    73   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    65   268.000  1.529
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    72   268.000  1.529
   72    73   268.000  1.529
   72    74   317.000  1.522
   72    76   320.000  1.410
   73    78   268.000  1.529
   73    81   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    88   268.000  1.529
   88    89   340.000  1.090
   88    59   268.000  1.529
   88    91   320.000  1.410
   59    60   340.000  1.090
   59    64   268.000  1.529
   64    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   91    92   553.000  0.945
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   74    75   570.000  1.229
   74    85   317.000  1.522
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    90   320.000  1.410
   90    93   214.000  1.327
   93    94   570.000  1.229
   93    95   317.000  1.522
   95    96   340.000  1.090
   95    97   340.000  1.090
   95    98   340.000  1.090
   76    77   553.000  0.945
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    64    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    64    45    70.00000  112.02700
   33    64    59    58.35000  112.70000
   33    64    68    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    65.00000  118.62400
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    40.00000  117.72500
   41    43    45    65.00000  118.96000
   43    41    42    80.00000  123.72100
   43    45    46    70.00000  124.00000
   43    45    64    70.00000  124.00000
   45    43    44    35.00000  120.00000
   45    46    47    35.00000  109.50000
   45    46    48    70.00000  112.02700
   45    46    51    70.00000  112.02700
   45    64    59    70.00000  112.02700
   45    64    68    70.00000  112.02700
   46    48    49    37.50000  110.70000
   46    48    50    37.50000  110.70000
   46    48    55    58.35000  112.70000
   46    51    52    37.50000  110.70000
   46    51    53    37.50000  110.70000
   46    51    54    37.50000  110.70000
   48    46    47    37.50000  110.70000
   48    55    56    37.50000  110.70000
   48    55    57    58.35000  112.70000
   48    55    59    58.35000  112.70000
   50    48    49    33.00000  107.80000
   55    48    49    37.50000  110.70000
   55    48    50    37.50000  110.70000
   55    57    58    37.50000  110.70000
   55    57    61    58.35000  112.70000
   55    57    73    58.35000  112.70000
   55    59    88    58.35000  112.70000
   55    59    60    37.50000  110.70000
   55    59    64    58.35000  112.70000
   57    55    56    37.50000  110.70000
   57    61    62    37.50000  110.70000
   57    61    63    37.50000  110.70000
   57    61    65    58.35000  112.70000
   57    73    72    58.35000  112.70000
   57    73    78    58.35000  112.70000
   57    73    81    58.35000  112.70000
   61    57    58    37.50000  110.70000
   61    65    66    37.50000  110.70000
   61    65    67    37.50000  110.70000
   61    65    72    58.35000  112.70000
   63    61    62    33.00000  107.80000
   65    61    62    37.50000  110.70000
   65    61    63    37.50000  110.70000
   65    72    73    58.35000  112.70000
   65    72    74    63.00000  111.10000
   65    72    76    50.00000  109.50000
   67    65    66    33.00000  107.80000
   72    65    66    37.50000  110.70000
   72    65    67    37.50000  110.70000
   72    73    78    58.35000  112.70000
   72    73    81    58.35000  112.70000
   72    74    75    80.00000  120.40000
   72    74    85    70.00000  116.00000
   72    76    77    55.00000  108.50000
   73    57    58    37.50000  110.70000
   73    57    61    58.35000  112.70000
   73    78    79    37.50000  110.70000
   73    78    80    37.50000  110.70000
   73    78    88    58.35000  112.70000
   73    81    82    37.50000  110.70000
   73    81    83    37.50000  110.70000
   73    81    84    37.50000  110.70000
   78    88    89    37.50000  110.70000
   78    88    59    58.35000  112.70000
   78    88    91    50.00000  109.50000
   80    78    79    33.00000  107.80000
   88    78    79    37.50000  110.70000
   88    78    80    37.50000  110.70000
   88    59    60    37.50000  110.70000
   88    59    64    58.35000  112.70000
   88    91    92    55.00000  108.50000
   59    55    56    37.50000  110.70000
   59    55    57    58.35000  112.70000
   59    88    89    37.50000  110.70000
   59    64    68    58.35000  112.70000
   64    33    34    37.50000  110.70000
   64    33    38    58.35000  112.70000
   64    45    46    65.00000  117.92700
   64    59    60    37.50000  110.70000
   64    68    69    37.50000  110.70000
   64    68    70    37.50000  110.70000
   64    68    71    37.50000  110.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   91    88    89    35.00000  109.50000
   91    88    59    50.00000  109.50000
   81    73    78    58.35000  112.70000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   74    72    73    63.00000  111.10000
   74    85    86    35.00000  109.50000
   74    85    87    35.00000  109.50000
   74    85    90    90.00000  108.74100
   85    74    75    80.00000  120.40000
   85    90    93    83.00000  116.90000
   87    85    86    33.00000  107.80000
   90    85    86    35.00000  109.50000
   90    85    87    35.00000  109.50000
   90    93    94    83.00000  123.40000
   90    93    95    81.00000  111.40000
   93    95    96    35.00000  109.50000
   93    95    97    35.00000  109.50000
   93    95    98    35.00000  109.50000
   95    93    94    80.00000  120.40000
   97    95    96    33.00000  107.80000
   98    95    96    33.00000  107.80000
   98    95    97    33.00000  107.80000
   76    72    73    50.00000  109.50000
   76    72    74    90.00000  109.61100
   51    46    47    37.50000  110.70000
   51    46    48    58.35000  112.70000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    34   0.32350  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    64   0.01700  1.0 1.0
   24    29    33    64  -0.23550 -1.0 2.0
   24    29    33    64   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    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    64    45   0.56750  1.0 1.0
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   76    72    74    85  -0.23600  1.0 3.0
   51    46    48    49   0.15000  1.0 3.0
   51    46    48    50   0.15000  1.0 3.0
   51    46    48    55   0.56750  1.0 1.0
   51    46    48    55  -0.07550 -1.0 2.0
   51    46    48    55   0.20000  1.0 3.0
IPHI
    8     5     7     9  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    35    37  10.50000 -1.0 2.0
   38    43    41    42  10.50000 -1.0 2.0
   41    44    43    45   1.10000 -1.0 2.0
   46    64    45    43   1.10000 -1.0 2.0
   72    85    74    75  10.50000 -1.0 2.0
   90    95    93    94  10.50000 -1.0 2.0
END
