* LIGAND DATABASE FILE (OPLS2005)
*
001      88    90    167    255     484
    1     0 S   NP   _N1_     1    28.92488    93.80106   -21.35461
    2     1 S   H    _HN1     2     1.02960    91.46785    36.09760
    3     1 S   H    _H1_     3     1.02837    28.25706   160.92889
    4     1 S   H    _H2_     4     1.02776    91.54401   -72.28761
    5     1 S   CT   _CA1     5     1.50117   138.99364   160.20812
    6     5 S   HC   _HA1     6     1.09576   105.22986    59.51303
    7     5 S   CO3  _C1_     7     1.53780   112.38425   -60.68561
    8     7 S   O2Z  _O11     8     1.26357   114.99816   -43.92723
    9     7 S   O2Z  _O12     9     1.26238   114.91446   135.25168
   10     5 S   CT   _CB1    10     1.53100   107.43820   177.41003
   11    10 S   HC   HB11    11     1.09825   109.30971   -50.94357
   12    10 S   HC   HB12    12     1.09820   110.42668    65.59520
   13    10 S   CT   _CG1    13     1.53019   112.68917  -172.05695
   14    13 S   HC   HG11    14     1.09594   110.44036   -64.09733
   15    13 S   HC   HG12    15     1.09651   109.99272    55.13639
   16    13 S   C    _CD1    16     1.51796   112.30464   175.46560
   17    16 S   O    _OE1    17     1.22747   123.28735    -1.92955
   18    16 S   N    _N2_    18     1.38678   111.68842   178.25381
   19    18 S   H    _HN2    19     1.01589   119.17419     0.51624
   20    18 S   CT1  _CA2    20     1.46087   123.08745   179.95577
   21    20 S   HC   _HA2    21     1.09437   108.87293   -10.68371
   22    20 S   C    _C2_    22     1.53410   108.46497  -125.74465
   23    22 S   O    _O2_    23     1.23001   122.26228  -146.16292
   24    20 S   CT   _CB2    32     1.53442   111.98303   111.56748
   25    24 S   HC   HB21    33     1.09657   109.42201    62.21661
   26    24 S   HC   HB22    34     1.09497   110.98516   179.40653
   27    22 S   N    _N3_    24     1.38566   113.35295    41.15786
   28    27 S   H    _HN3    25     1.01490   118.83786    -0.62464
   29    24 S   S    _SG2    35     1.82999   114.20385   -56.89465
   30    27 S   CT   _CA3    26     1.45438   123.32804   175.42607
   31    30 S   HC   HA31    27     1.09539   108.97218    28.58347
   32    30 S   HC   HA32    28     1.09496   106.83037   145.63085
   33    29 S   CT   _C23    36     1.84037   100.67645   -74.45045
   34    33 S   HC   _H3_    37     1.09352   108.04634    36.70328
   35    30 S   CO3  _C3_    29     1.52995   114.67915   -93.86777
   36    35 S   O2Z  _O31    30     1.26324   116.45405    -3.81146
   37    35 S   O2Z  _O32    31     1.26474   114.29622   176.32614
   38    33 S   CT   _C21    38     1.53084   107.28161   151.46501
   39    38 S   HC   _H49    39     1.09524   112.54761    59.90781
   40    38 S   HC   _H50    40     1.09651   110.89752   -60.83740
   41    38 S   HC   _H51    41     1.09470   110.92805  -179.24723
   42    33 S   CT   _C22    42     1.54406   111.21133   -83.17668
   43    42 S   HC   _H52    43     1.09879   109.52503    50.00675
   44    42 S   CO4  _C9_    44     1.52233   109.72563   166.26470
   45    44 S   O    _O22    45     1.22371   124.62134    89.17613
   46    42 S   CT   _C20    85     1.53125   115.39855   -69.89217
   47    46 S   HC   _H46    86     1.09485   112.09942   -62.60244
   48    46 S   HC   _H47    87     1.09627   110.21301   178.58611
   49    46 S   HC   _H48    88     1.09388   111.65764    59.15457
   50    44 S   OS   _O26    46     1.36422   109.58431   -90.72666
   51    50 S   CT   _C16    47     1.44432   117.92087  -176.47452
   52    51 S   HC   _H39    48     1.09915   108.63525    26.46919
   53    51 S   CT   _C11    49     1.54224   110.45721   -89.15815
   54    53 S   HC   _H33    50     1.09733   108.97392    55.98457
   55    53 S   HC   _H34    51     1.09826   107.89954   170.69247
   56    51 S   CT   _C14    65     1.55056   110.09952   143.63292
   57    56 S   HC   _H37    66     1.09709   108.83197   164.82858
   58    53 S   C3T  _C17    52     1.51258   116.27261   -66.18268
   59    56 S   CM   _C6_    67     1.49617   110.85873   -74.38820
   60    58 S   C3T  _C15    53     1.52584   118.72118   -87.02704
   61    60 S   HC   _H38    54     1.08281   119.15313     4.78389
   62    59 S   CO4  _C7_    68     1.47254   109.91276   103.49930
   63    62 S   O    _O21    69     1.21739   127.01779  -170.41013
   64    59 S   CM   _C8_    71     1.33603   128.05932   -78.83735
   65    64 S   HC   _H29    72     1.08500   120.78688     1.28161
   66    64 S   HC   _H30    73     1.08517   121.75870  -178.73499
   67    58 S   CT   _C19    81     1.49966   116.92273    77.75552
   68    67 S   HC   _H43    82     1.09407   112.57870   165.14365
   69    67 S   HC   _H44    83     1.09511   110.49279    45.57142
   70    67 S   HC   _H45    84     1.09220   110.76632   -74.13310
   71    60 S   CT   _C10    55     1.49924   124.96104   161.22595
   72    71 S   HC   _H31    56     1.09735   107.37271   156.81167
   73    71 S   HC   _H32    57     1.09593   110.32510    41.31334
   74    87 S   OS   _O23    70     1.44363   108.42122   128.23880
   75    58 S   O3T  _O24    80     1.44243   112.38580  -151.25099
   76    71 S   CT   _C13    58     1.53859   114.23293   -82.46909
   77    76 S   HC   _H36    59     1.09784   107.38407  -170.45379
   78    76 S   CM   _C5_    60     1.52031   114.90581   -50.59173
   79    76 S   OH   _O25    78     1.42327   110.60146    76.24862
   80    79 S   HO   _H54    79     0.97598   107.31348    60.44801
   81    78 S   CM   _C4_    61     1.35023   126.88073    87.69197
   82    81 S   HC   _H28    62     1.09004   117.57312   179.40127
   83    78 S   CT   _C18    74     1.50955   113.85446   -92.24449
   84    83 S   HC   _H40    75     1.09499   110.26903   -61.67670
   85    83 S   HC   _H41    76     1.09513   112.55907   178.21403
   86    83 S   HC   _H42    77     1.09496   110.22326    58.22543
   87    81 S   CT   _C12    63     1.50914   128.22568    -3.01038
   88    87 S   HC   _H35    64     1.08580   111.53007    11.96295
  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
  14   8   2   1   1   7   3   2   1   9   7  10   3   4   2   1
   1  10  17   8  15   6   5  14   7  11   9  13   6   8   3   4
   1   1   5   3   2   1  10   6   5   5   1  11   5  10   3   1
   7   3   4   2   1   1   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    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43    44    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    50    46    47    48    49  
   38    39    40    41    42    43    44    46  
   36    37  
   37  
    0  
   39    40    41    42    43    44    46  
   40    41    42  
   41    42  
   42  
   43    44    45    50    51    46    47    48    49  
   44    45    50    46    47    48    49  
   45    50    51    52    53    56    46    47    48    49  
   50    51    46  
   47    48    49    50  
   48    49  
   49  
    0  
   51    52    53    54    55    58    87    56    57    59  
   52    53    54    55    58    60    81    87    88    56    57    59    62    74    64    75    67  
   53    54    55    58    87    56    57    59  
   54    55    58    60    61    71    87    56    57    59    75    67    68    69    70  
   55    58    60    56    75    67  
   58    60    56    75    67  
   57    59    62    63    74    64    65    66    58    78    81    82    87    88  
   59    62    74    64    81    87    88  
   60    61    71    72    73    76    75    67    68    69    70  
   62    63    74    64    65    66    81    87    88  
   61    71    72    73    76    77    78    79    75    67    68    69    70  
   71    72    73    76    75    67  
   63    74    64    65    66    81    87    88  
   74    64    87  
   65    66    74    87  
   66  
    0  
   68    69    70    71    75  
   69    70    75  
   70    75  
   75  
   72    73    76    77    78    81    83    79    80    75  
   73    76    77    78    79    75  
   76    77    78    79    75  
   78    81    82    87    88  
   76  
   77    78    81    82    87    83    84    85    86    79    80  
   78    81    83    79    80  
   81    82    87    88    83    84    85    86    79    80  
   80    81    83  
    0  
   82    87    88    83    84    85    86  
   87    88    83  
   84    85    86    87  
   85    86  
   86  
    0  
   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   0.107500   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   59   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   63   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   64   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   75   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   76   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   79   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   80   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   81   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   82   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
   87   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.4200   0.0150   0.030000   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    42   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   340.000  1.090
   42    44   317.000  1.522
   42    46   268.000  1.529
   44    45   570.000  1.229
   44    50   214.000  1.327
   50    51   320.000  1.410
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    56   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    58   275.000  1.510
   58    60   260.000  1.509
   58    75   335.000  1.432
   58    67   275.000  1.510
   60    61   340.000  1.088
   60    71   275.000  1.510
   60    75   335.000  1.432
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    76   268.000  1.529
   76    77   340.000  1.090
   76    78   317.000  1.510
   76    79   320.000  1.410
   78    81   549.000  1.340
   78    83   317.000  1.510
   81    82   340.000  1.080
   81    87   317.000  1.510
   87    88   340.000  1.090
   87    56   268.000  1.529
   87    74   320.000  1.410
   56    57   340.000  1.090
   56    59   317.000  1.510
   59    62   320.000  1.462
   59    64   549.000  1.340
   62    63   570.000  1.229
   62    74   214.000  1.327
   64    65   340.000  1.080
   64    66   340.000  1.080
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   79    80   553.000  0.945
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   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    42    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    37.50000  110.70000
   33    42    44    63.00000  111.10000
   33    42    46    58.35000  112.70000
   38    33    34    37.50000  110.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34    37.50000  110.70000
   42    33    38    58.35000  112.70000
   42    44    45    80.00000  120.40000
   42    44    50    81.00000  111.40000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    49    37.50000  110.70000
   44    42    43    35.00000  109.50000
   44    50    51    83.00000  116.90000
   50    44    45    83.00000  123.40000
   50    51    52    35.00000  109.50000
   50    51    53    50.00000  109.50000
   50    51    56    50.00000  109.50000
   51    53    54    37.50000  110.70000
   51    53    55    37.50000  110.70000
   51    53    58    70.00000  112.37300
   51    56    87    58.35000  112.70000
   51    56    57    37.50000  110.70000
   51    56    59    70.00000  112.02700
   53    51    52    37.50000  110.70000
   53    58    60    60.00000  120.94000
   53    58    75    80.00000  116.47100
   53    58    67    58.35000  112.70000
   55    53    54    33.00000  107.80000
   58    53    54    45.00000  109.38400
   58    53    55    45.00000  109.38400
   58    60    61    37.50000  117.20000
   58    60    71    60.00000  120.94000
   58    60    75    15.00000   60.43100
   58    75    60    15.00000   59.14900
   58    67    68    45.00000  109.38400
   58    67    69    45.00000  109.38400
   58    67    70    45.00000  109.38400
   60    71    72    45.00000  109.38400
   60    71    73    45.00000  109.38400
   60    71    76    70.00000  112.37300
   71    60    61    40.00000  115.04500
   71    76    77    37.50000  110.70000
   71    76    78    70.00000  112.02700
   71    76    79    50.00000  109.50000
   73    71    72    33.00000  107.80000
   76    71    72    37.50000  110.70000
   76    71    73    37.50000  110.70000
   76    78    81    70.00000  124.00000
   76    78    83    65.00000  117.92700
   76    79    80    55.00000  108.50000
   78    76    77    35.00000  109.50000
   78    81    82    35.00000  120.00000
   78    81    87    70.00000  124.00000
   78    83    84    35.00000  109.50000
   78    83    85    35.00000  109.50000
   78    83    86    35.00000  109.50000
   81    87    88    35.00000  109.50000
   81    87    56    70.00000  112.02700
   81    87    74    85.00000  110.90400
   87    81    82    35.00000  117.00000
   87    56    57    37.50000  110.70000
   87    56    59    70.00000  112.02700
   87    74    62    83.00000  116.90000
   56    51    52    37.50000  110.70000
   56    51    53    58.35000  112.70000
   56    87    88    37.50000  110.70000
   56    59    62    65.00000  116.34900
   56    59    64    70.00000  124.00000
   59    56    57    35.00000  109.50000
   59    62    63    80.00000  123.72100
   59    62    74    90.00000  111.29400
   59    64    65    35.00000  120.00000
   59    64    66    35.00000  120.00000
   74    87    88    35.00000  109.50000
   74    87    56    50.00000  109.50000
   74    62    63    83.00000  123.40000
   64    59    62    65.00000  118.96000
   66    64    65    35.00000  117.00000
   83    78    81    70.00000  124.00000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   79    76    77    35.00000  109.50000
   79    76    78    90.00000  110.39200
   75    58    60    15.00000   60.43100
   75    60    61    50.00000  114.27700
   75    60    71    80.00000  116.47100
   67    58    60    60.00000  120.94000
   67    58    75    80.00000  116.47100
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   46    42    43    37.50000  110.70000
   46    42    44    63.00000  111.10000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    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    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.56750  1.0 1.0
   29    33    42    44  -0.07550 -1.0 2.0
   29    33    42    44   0.20000  1.0 3.0
   29    33    42    46   0.44750  1.0 1.0
   29    33    42    46  -0.17800 -1.0 2.0
   29    33    42    46   0.20200  1.0 3.0
   33    42    44    45   0.30150 -1.0 2.0
   33    42    44    50   0.36750  1.0 3.0
   33    42    46    47   0.15000  1.0 3.0
   33    42    46    48   0.15000  1.0 3.0
   33    42    46    49   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41   0.15000  1.0 3.0
   34    33    42    43   0.15000  1.0 3.0
   34    33    42    44  -0.11250  1.0 3.0
   34    33    42    46   0.15000  1.0 3.0
   38    33    42    43   0.15000  1.0 3.0
   38    33    42    44  -0.95700  1.0 1.0
   38    33    42    44  -0.18200 -1.0 2.0
   38    33    42    44   0.29450  1.0 3.0
   38    33    42    46   0.56750  1.0 1.0
   38    33    42    46  -0.07550 -1.0 2.0
   38    33    42    46   0.20000  1.0 3.0
   42    33    38    39   0.15000  1.0 3.0
   42    33    38    40   0.15000  1.0 3.0
   42    33    38    41   0.15000  1.0 3.0
   42    44    50    51   1.63150  1.0 1.0
   42    44    50    51   2.92000 -1.0 2.0
   43    42    44    45   0.00000  1.0 1.0
   43    42    44    50   0.00000  1.0 1.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    48   0.15000  1.0 3.0
   43    42    46    49   0.15000  1.0 3.0
   44    42    46    47  -0.11250  1.0 3.0
   44    42    46    48  -0.11250  1.0 3.0
   44    42    46    49  -0.11250  1.0 3.0
   44    50    51    52   0.08050  1.0 3.0
   44    50    51    53  -0.25900  1.0 1.0
   44    50    51    53  -0.47000 -1.0 2.0
   44    50    51    53   0.11750  1.0 3.0
   44    50    51    56  -0.25900  1.0 1.0
   44    50    51    56  -0.47000 -1.0 2.0
   44    50    51    56   0.11750  1.0 3.0
   45    44    50    51   3.00000 -1.0 2.0
   50    51    53    54   0.23400  1.0 3.0
   50    51    53    55   0.23400  1.0 3.0
   50    51    53    58  -0.26800  1.0 1.0
   50    51    53    58   0.69150 -1.0 2.0
   50    51    53    58  -0.48750  1.0 3.0
   50    51    56    87   0.62750  1.0 1.0
   50    51    56    87  -0.30950 -1.0 2.0
   50    51    56    87   0.27300  1.0 3.0
   50    51    56    57   0.23400  1.0 3.0
   50    51    56    59   0.61850  1.0 1.0
   50    51    56    59  -0.22750 -1.0 2.0
   50    51    56    59   0.15300  1.0 3.0
   51    53    58    60   0.07850  1.0 1.0
   51    53    58    60  -0.03950 -1.0 2.0
   51    53    58    60   0.67350  1.0 3.0
   51    53    58    75   0.02550  1.0 1.0
   51    53    58    75  -0.02600 -1.0 2.0
   51    53    58    75   1.20400  1.0 3.0
   51    53    58    67   0.56750  1.0 1.0
   51    53    58    67  -0.07550 -1.0 2.0
   51    53    58    67   0.20000  1.0 3.0
   51    56    59    62   0.09700  1.0 1.0
   51    56    59    62   0.15600 -1.0 2.0
   51    56    59    62  -0.50800  1.0 3.0
   51    56    59    64   0.09850  1.0 1.0
   51    56    59    64   0.15250 -1.0 2.0
   51    56    59    64  -0.50650  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    55   0.15000  1.0 3.0
   52    51    53    58   0.15000  1.0 3.0
   52    51    56    87   0.15000  1.0 3.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    59   0.15000  1.0 3.0
   53    51    56    87   0.56750  1.0 1.0
   53    51    56    87  -0.07550 -1.0 2.0
   53    51    56    87   0.20000  1.0 3.0
   53    51    56    57   0.15000  1.0 3.0
   53    51    56    59   0.34400  1.0 1.0
   53    51    56    59   0.09450 -1.0 2.0
   53    51    56    59   0.11100  1.0 3.0
   53    58    60    61   0.15000  1.0 3.0
   53    58    60    71   0.56750  1.0 1.0
   53    58    60    71  -0.07550 -1.0 2.0
   53    58    60    71   0.20000  1.0 3.0
   53    58   -60    75   0.02550  1.0 1.0
   53    58   -60    75  -0.02600 -1.0 2.0
   53    58   -60    75   1.20400  1.0 3.0
   53    58   -75    60   0.06250  1.0 1.0
   53    58   -75    60  -0.01100 -1.0 2.0
   53    58   -75    60   0.28050  1.0 3.0
   53    58    67    68   0.15000  1.0 3.0
   53    58    67    69   0.15000  1.0 3.0
   53    58    67    70   0.15000  1.0 3.0
   54    53    58    60   0.15000  1.0 3.0
   54    53    58    75   0.23400  1.0 3.0
   54    53    58    67   0.15000  1.0 3.0
   55    53    58    60   0.15000  1.0 3.0
   55    53    58    75   0.23400  1.0 3.0
   55    53    58    67   0.15000  1.0 3.0
   58    60    71    72   0.15000  1.0 3.0
   58    60    71    73   0.15000  1.0 3.0
   58    60    71    76   0.07850  1.0 1.0
   58    60    71    76  -0.03950 -1.0 2.0
   58    60    71    76   0.67350  1.0 3.0
   60    58    67    68   0.15000  1.0 3.0
   60    58    67    69   0.15000  1.0 3.0
   60    58    67    70   0.15000  1.0 3.0
   60    71    76    77   0.15000  1.0 3.0
   60    71    76    78   0.34400  1.0 1.0
   60    71    76    78   0.09450 -1.0 2.0
   60    71    76    78   0.11100  1.0 3.0
   60    71    76    79   0.86500  1.0 1.0
   60    71    76    79  -0.17500 -1.0 2.0
   60    71    76    79   0.20800  1.0 3.0
   61    60    71    72   0.15000  1.0 3.0
   61    60    71    73   0.15000  1.0 3.0
   61    60    71    76   0.15000  1.0 3.0
   61    60   -75    58   0.36800  1.0 3.0
   71    60   -75    58   0.06250  1.0 1.0
   71    60   -75    58  -0.01100 -1.0 2.0
   71    60   -75    58   0.28050  1.0 3.0
   71    76    78    81   0.09850  1.0 1.0
   71    76    78    81   0.15250 -1.0 2.0
   71    76    78    81  -0.50650  1.0 3.0
   71    76    78    83   0.46850  1.0 1.0
   71    76    78    83   0.08550 -1.0 2.0
   71    76    78    83   0.09800  1.0 3.0
   71    76    79    80  -0.11600  1.0 1.0
   71    76    79    80  -0.09450 -1.0 2.0
   71    76    79    80   0.21250  1.0 3.0
   72    71    76    77   0.15000  1.0 3.0
   72    71    76    78   0.15000  1.0 3.0
   72    71    76    79   0.23400  1.0 3.0
   73    71    76    77   0.15000  1.0 3.0
   73    71    76    78   0.15000  1.0 3.0
   73    71    76    79   0.23400  1.0 3.0
   76    78    81    82   7.00000 -1.0 2.0
   76    78    81    87   7.00000 -1.0 2.0
   76    78    83    84   0.34800  1.0 3.0
   76    78    83    85   0.34800  1.0 3.0
   76    78    83    86   0.34800  1.0 3.0
   77    76    78    81   0.00000  1.0 1.0
   77    76    78    83   0.34800  1.0 3.0
   77    76    79    80   0.19450  1.0 3.0
   78    76    79    80  -0.07800  1.0 1.0
   78    76    79    80  -0.21500 -1.0 2.0
   78    76    79    80  -0.03150  1.0 3.0
   78    81    87    88   0.00000  1.0 1.0
   78    81    87    56   0.09850  1.0 1.0
   78    81    87    56   0.15250 -1.0 2.0
   78    81    87    56  -0.50650  1.0 3.0
   78    81    87    74   0.39000  1.0 1.0
   78    81    87    74  -0.05800 -1.0 2.0
   78    81    87    74  -0.55150  1.0 3.0
   81    78    83    84   0.00000  1.0 1.0
   81    78    83    85   0.00000  1.0 1.0
   81    78    83    86   0.00000  1.0 1.0
   81    87    56    51   0.34400  1.0 1.0
   81    87    56    51   0.09450 -1.0 2.0
   81    87    56    51   0.11100  1.0 3.0
   81    87    56    57   0.15000  1.0 3.0
   81    87    56    59   0.31000  1.0 1.0
   81    87    56    59   0.14700 -1.0 2.0
   81    87    56    59   0.07550  1.0 3.0
   81    87    74    62  -0.82050  1.0 1.0
   81    87    74    62   0.00600 -1.0 2.0
   81    87    74    62   0.04400  1.0 3.0
   82    81    87    88   0.33100  1.0 3.0
   82    81    87    56   0.00000  1.0 1.0
   82    81    87    74   0.00000  1.0 1.0
   87    56   -59    62   0.09700  1.0 1.0
   87    56   -59    62   0.15600 -1.0 2.0
   87    56   -59    62  -0.50800  1.0 3.0
   87    56    59    64   0.09850  1.0 1.0
   87    56    59    64   0.15250 -1.0 2.0
   87    56    59    64  -0.50650  1.0 3.0
   88    87    56    51   0.15000  1.0 3.0
   88    87    56    57   0.15000  1.0 3.0
   88    87    56    59   0.15000  1.0 3.0
   88    87    74    62   0.08050  1.0 3.0
   56    51    53    54   0.15000  1.0 3.0
   56    51    53    55   0.15000  1.0 3.0
   56    51    53    58   0.47050  1.0 1.0
   56    51    53    58   0.03900 -1.0 2.0
   56    51    53    58   0.20100  1.0 3.0
   56    87   -74    62  -0.25900  1.0 1.0
   56    87   -74    62  -0.47000 -1.0 2.0
   56    87   -74    62   0.11750  1.0 3.0
   56    59    62    63  -0.64400  1.0 1.0
   56    59    62    63   0.26850 -1.0 2.0
   56    59   -62    74  -0.15000  1.0 1.0
   56    59   -62    74   0.89550 -1.0 2.0
   56    59   -62    74  -0.06900  1.0 3.0
   56    59    64    65   7.00000 -1.0 2.0
   56    59    64    66   7.00000 -1.0 2.0
   57    56    59    62   0.15000  1.0 3.0
   57    56    59    64   0.00000  1.0 1.0
   59    62   -74    87   2.00000 -1.0 2.0
   62    59    64    65   7.00000 -1.0 2.0
   62    59    64    66   7.00000 -1.0 2.0
   63    62    74    87   3.00000 -1.0 2.0
   74    87    56    51   0.62750  1.0 1.0
   74    87    56    51  -0.30950 -1.0 2.0
   74    87    56    51   0.27300  1.0 3.0
   74    87    56    57   0.23400  1.0 3.0
   74    87   -56    59   0.61850  1.0 1.0
   74    87   -56    59  -0.22750 -1.0 2.0
   74    87   -56    59   0.15300  1.0 3.0
   64    59    62    63   1.00000 -1.0 2.0
   64    59    62    74  -0.56150  1.0 1.0
   64    59    62    74   2.19150 -1.0 2.0
   83    78    81    82   7.00000 -1.0 2.0
   83    78    81    87   7.00000 -1.0 2.0
   79    76    78    81   0.67800  1.0 1.0
   79    76    78    81   0.47050 -1.0 2.0
   79    76    78    81  -0.62500  1.0 3.0
   79    76    78    83   0.18000  1.0 1.0
   79    76    78    83   0.16450 -1.0 2.0
   79    76    78    83   0.04450  1.0 3.0
   75    58   -60    61   0.23400  1.0 3.0
   75    58   -60    71   0.02550  1.0 1.0
   75    58   -60    71  -0.02600 -1.0 2.0
   75    58   -60    71   1.20400  1.0 3.0
   75    58    67    68   0.23400  1.0 3.0
   75    58    67    69   0.23400  1.0 3.0
   75    58    67    70   0.23400  1.0 3.0
   75    60    71    72   0.23400  1.0 3.0
   75    60    71    73   0.23400  1.0 3.0
   75    60    71    76   0.02550  1.0 1.0
   75    60    71    76  -0.02600 -1.0 2.0
   75    60    71    76   1.20400  1.0 3.0
   67    58    60    61   0.15000  1.0 3.0
   67    58    60    71   0.56750  1.0 1.0
   67    58    60    71  -0.07550 -1.0 2.0
   67    58    60    71   0.20000  1.0 3.0
   67    58   -60    75   0.02550  1.0 1.0
   67    58   -60    75  -0.02600 -1.0 2.0
   67    58   -60    75   1.20400  1.0 3.0
   67    58   -75    60   0.06250  1.0 1.0
   67    58   -75    60  -0.01100 -1.0 2.0
   67    58   -75    60   0.28050  1.0 3.0
   46    42    44    45   0.30150 -1.0 2.0
   46    42    44    50   0.36750  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   42    50    44    45  10.50000 -1.0 2.0
   76    83    78    81   1.10000 -1.0 2.0
   87    82    81    78   1.10000 -1.0 2.0
   56    62    59    64   1.10000 -1.0 2.0
   59    74    62    63  10.50000 -1.0 2.0
   65    66    64    59   1.10000 -1.0 2.0
END
