* LIGAND DATABASE FILE (OPLS2005)
*
001      90    91    168    247     473
    1     0 S   NP   _N1_     1    28.97605    93.49371   -19.91550
    2     1 S   H    _HN1     2     1.02779    83.24744   -67.82136
    3     1 S   H    _H1_     3     1.02963   103.51904    39.46365
    4     1 S   H    _H2_     4     1.02837    28.00407   140.40995
    5     1 S   CT   _CA1     5     1.50113   134.68504   177.40263
    6     5 S   HC   _HA1     6     1.09563   105.30749    41.65269
    7     5 S   CO3  _C1_     7     1.53871   112.25791   -78.77255
    8     7 S   O2Z  _O11     8     1.26367   115.01010   -44.67859
    9     7 S   O2Z  _O12     9     1.26232   114.94129   134.54185
   10     5 S   CT   _CB1    10     1.53083   107.43785   159.74629
   11    10 S   HC   HB11    11     1.09817   109.60000   -48.77965
   12    10 S   HC   HB12    12     1.09841   110.28747    67.81139
   13    10 S   CT   _CG1    13     1.53047   112.65712  -169.88697
   14    13 S   HC   HG11    14     1.09513   110.37500   -56.45319
   15    13 S   HC   HG12    15     1.09605   110.27106    62.60144
   16    13 S   C    _CD1    16     1.51796   111.74520  -177.40701
   17    16 S   O    _OE1    17     1.22763   122.95148   -20.56721
   18    16 S   N    _N2_    18     1.38558   111.96271   160.27308
   19    18 S   H    _HN2    19     1.01583   119.10340     1.64497
   20    18 S   CT1  _CA2    20     1.46262   123.36393  -176.79161
   21    20 S   HC   _HA2    21     1.09727   109.38019   -16.69768
   22    20 S   C    _C2_    22     1.53379   108.15141  -132.56197
   23    22 S   O    _O2_    23     1.23000   122.33165  -144.39056
   24    20 S   CT   _CB2    32     1.53543   111.30391   105.43300
   25    24 S   HC   HB21    33     1.09548   109.40549    55.66295
   26    24 S   HC   HB22    34     1.09426   110.29618   174.29140
   27    22 S   N    _N3_    24     1.38533   113.25359    42.81863
   28    27 S   H    _HN3    25     1.01536   118.90352    -0.46772
   29    24 S   S    _SG2    35     1.82820   111.72562   -66.17010
   30    27 S   CT   _CA3    26     1.45448   123.42116   175.21153
   31    30 S   HC   HA31    27     1.09525   109.19837    24.86665
   32    30 S   HC   HA32    28     1.09494   107.12147   141.86669
   33    29 S   CT   _C24    36     1.84313   100.38288   150.53289
   34    33 S   HC   _H3_    37     1.09377   107.30954   -37.08075
   35    30 S   CO3  _C3_    29     1.52932   113.18575   -98.58615
   36    35 S   O2Z  _O31    30     1.26398   115.44324   -43.36464
   37    35 S   O2Z  _O32    31     1.26361   114.95608   137.59562
   38    33 S   C3T  _C14    38     1.51340   105.45960  -152.93068
   39    38 S   HC   _H34    39     1.08744   111.46935   -61.52406
   40    33 S   CT   _C23    78     1.55005   114.84312    84.29973
   41    40 S   HC   _H55    79     1.09971   108.39247   170.22386
   42    38 S   C3T  _C13    40     1.51681   119.25662   157.02154
   43    42 S   HC   _H33    41     1.08687   116.99090    -8.63167
   44    40 S   CO4  _C10    80     1.52271   111.19372   -74.32416
   45    44 S   O    _O24    81     1.22398   124.91220   114.19787
   46    40 S   CT   _C20    87     1.53326   115.47811    51.88974
   47    46 S   HC   _H47    88     1.09453   112.31745   -64.59647
   48    46 S   HC   _H48    89     1.09642   110.21968   176.47552
   49    46 S   HC   _H49    90     1.09337   111.63978    57.47723
   50    38 S   C3T  _C15    42     1.52548   124.23369    85.25440
   51    42 S   CO4  _C9_    51     1.47987   119.80329   133.25801
   52    51 S   O    _O23    52     1.22198   122.08603   140.75739
   53    44 S   OS   _O26    82     1.36598   109.69745   -66.22918
   54    50 S   CT   _C18    43     1.50989   116.50794  -142.53651
   55    54 S   HC   _H41    44     1.09528   110.14013    90.03553
   56    54 S   HC   _H42    45     1.09515   112.47109   -29.86717
   57    54 S   HC   _H43    46     1.09495   110.33960  -150.46664
   58    50 S   CT   _C19    47     1.50813   120.77943     1.21756
   59    58 S   HC   _H44    48     1.09379   110.20624   -76.95749
   60    58 S   HC   _H45    49     1.09532   110.21880   163.79725
   61    58 S   HC   _H46    50     1.09409   112.86793    44.15004
   62    51 S   OS   _O25    53     1.35895   110.99976   -41.27801
   63    53 S   CT   _C21    83     1.43056   115.21667   178.96429
   64    63 S   HC   _H50    84     1.09324   108.09457  -179.20083
   65    63 S   HC   _H51    85     1.09415   110.28215    62.08964
   66    63 S   HC   _H52    86     1.09436   110.27702   -60.55556
   67    62 S   CT   _C12    54     1.43608   117.20130  -179.45788
   68    67 S   HC   _H32    55     1.09647   110.93170   -40.46061
   69    67 S   CM   _C5_    56     1.50486   107.25799  -162.11973
   70    69 S   CM   _C4_    57     1.34064   114.50248  -110.51841
   71    69 S   CT   _C16    74     1.49345   118.36339    67.84120
   72    71 S   HC   _H35    75     1.09447   110.50412   -60.97216
   73    71 S   HC   _H36    76     1.09244   112.68311   178.54492
   74    71 S   HC   _H37    77     1.09479   110.06690    58.63026
   75    70 S   CO4  _C6_    58     1.47797   105.45404    -2.89070
   76    75 S   O    _O22    59     1.22262   123.67656   179.03328
   77    70 S   CT   _C22    63     1.48909   131.73583   178.13575
   78    77 S   HC   _H53    64     1.09735   109.32965   134.37638
   79    77 S   HC   _H54    65     1.09342   110.87592    19.38291
   80    67 S   CT   _C11    60     1.52458   110.48101    84.17818
   81    80 S   HC   _H30    61     1.09324   113.25875   -11.04669
   82    80 S   HC   _H31    62     1.09438   111.19935  -136.57764
   83    77 S   CM   _C8_    66     1.50264   111.73491  -105.66567
   84    83 S   HC   _H29    67     1.08979   115.24785   -73.16800
   85    83 S   CM   _C7_    68     1.34191   127.86126   107.22820
   86    85 S   HC   _H28    69     1.08881   117.19138   179.75292
   87    85 S   CT   _C17    70     1.49260   127.83180    -0.94128
   88    87 S   HC   _H38    71     1.09459   109.63592  -120.10182
   89    87 S   HC   _H39    72     1.09129   113.54021     0.55883
   90    87 S   HC   _H40    73     1.09444   109.68522   121.31380
  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  19   7  11   7  14   6  10   3   4   2   1
   1  11   8   2   4   7   3   2   1   3   2   1   1   9   3   2
   1   1  13   7  14  15   6   2   1   1   8   4   8   4   3   2
   1   1   7   3   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    50    40    41    44    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    50    54    58    51    40    41    44    45    53    46    47    48    49  
   38    39    42    50    40    41    44    46  
   36    37  
   37  
    0  
   39    42    43    50    54    55    56    57    58    59    60    61    51    52    62    40    41    44    46  
   42    43    50    54    58    51    40  
   41    44    45    53    63    46    47    48    49    42    50  
   44    45    53    46    47    48    49  
   43    50    54    55    56    57    58    59    60    61    51    52    62    67  
   50    54    58    51    52    62  
   45    53    63    64    65    66    46    47    48    49  
   53    63    46  
   47    48    49    53  
   48    49  
   49  
    0  
   54    55    56    57    58    59    60    61    51    52    62  
   52    62    67    68    69    80    54    58  
   62    67  
   63    64    65    66  
   55    56    57    58    59    60    61  
   56    57    58  
   57    58  
   58  
   59    60    61  
   60    61  
   61  
    0  
   67    68    69    70    75    80    81    82    71  
   64    65    66  
   65    66  
   66  
    0  
   68    69    70    75    76    80    81    82    77    71    72    73    74  
   69    70    75    80    81    82    71  
   70    75    76    80    81    82    77    78    79    83    71    72    73    74  
   75    76    80    81    82    77    78    79    83    84    85    71    72    73    74  
   72    73    74    75    77    80  
   73    74  
   74  
    0  
   76    80    81    82    77    78    79    83  
   80    81    82    77  
   78    79    83    84    85    86    87    80  
   79    83    84    85  
   83    84    85  
   81    82  
   82  
    0  
   84    85    86    87    88    89    90  
   85    86    87  
   86    87    88    89    90  
   87    88    89    90  
   88    89    90  
   89    90  
   90  
    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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.3810   1.2100   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   53   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   54   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   63   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   65   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   66   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   67   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   69   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   70   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   71   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   82   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   83   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   84   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   85   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   86   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   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    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   275.000  1.510
   33    40   268.000  1.529
   38    39   340.000  1.088
   38    42   260.000  1.509
   38    50   260.000  1.509
   42    43   340.000  1.088
   42    50   260.000  1.509
   42    51   290.000  1.496
   50    54   275.000  1.510
   50    58   275.000  1.510
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   51    52   570.000  1.229
   51    62   214.000  1.327
   62    67   320.000  1.410
   67    68   340.000  1.090
   67    69   317.000  1.510
   67    80   268.000  1.529
   69    70   549.000  1.340
   69    71   317.000  1.510
   70    75   320.000  1.462
   70    77   317.000  1.510
   75    76   570.000  1.229
   75    80   317.000  1.522
   80    81   340.000  1.090
   80    82   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    83   317.000  1.510
   83    84   340.000  1.080
   83    85   549.000  1.340
   85    86   340.000  1.080
   85    87   317.000  1.510
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   40    41   340.000  1.090
   40    44   317.000  1.522
   40    46   268.000  1.529
   44    45   570.000  1.229
   44    53   214.000  1.327
   53    63   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   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    40    75.00000  111.63000
   33    38    39    40.00000  115.04500
   33    38    42    60.00000  120.94000
   33    38    50    60.00000  120.94000
   33    40    41    37.50000  110.70000
   33    40    44    63.00000  111.10000
   33    40    46    58.35000  112.70000
   38    33    34    45.00000  109.38400
   38    42    43    37.50000  117.20000
   38    42    50    10.00000   60.00500
   38    42    51    65.00000  117.18000
   38    50    42    10.00000   60.00500
   38    50    54    60.00000  120.94000
   38    50    58    60.00000  120.94000
   42    38    39    37.50000  117.20000
   42    50    54    60.00000  120.94000
   42    50    58    60.00000  120.94000
   42    51    52    75.00000  121.36600
   42    51    62    81.00000  111.40000
   50    38    39    37.50000  117.20000
   50    38    42    10.00000   60.00500
   50    42    43    37.50000  117.20000
   50    54    55    45.00000  109.38400
   50    54    56    45.00000  109.38400
   50    54    57    45.00000  109.38400
   50    58    59    45.00000  109.38400
   50    58    60    45.00000  109.38400
   50    58    61    45.00000  109.38400
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   58    50    54    58.35000  112.70000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   51    42    43    40.00000  116.18000
   51    42    50    65.00000  117.18000
   51    62    67    83.00000  116.90000
   62    51    52    83.00000  123.40000
   62    67    68    35.00000  109.50000
   62    67    69    85.00000  110.90400
   62    67    80    50.00000  109.50000
   67    69    70    70.00000  124.00000
   67    69    71    65.00000  117.92700
   67    80    75    63.00000  111.10000
   67    80    81    37.50000  110.70000
   67    80    82    37.50000  110.70000
   69    67    68    35.00000  109.50000
   69    70    75    65.00000  118.96000
   69    70    77    70.00000  124.00000
   69    71    72    35.00000  109.50000
   69    71    73    35.00000  109.50000
   69    71    74    35.00000  109.50000
   70    75    76    80.00000  123.72100
   70    75    80    65.00000  118.62400
   70    77    78    35.00000  109.50000
   70    77    79    35.00000  109.50000
   70    77    83    70.00000  110.12100
   75    80    81    35.00000  109.50000
   75    80    82    35.00000  109.50000
   80    67    68    37.50000  110.70000
   80    67    69    70.00000  112.02700
   80    75    76    80.00000  120.40000
   82    80    81    33.00000  107.80000
   77    70    75    65.00000  116.34900
   77    83    84    35.00000  117.00000
   77    83    85    70.00000  124.00000
   79    77    78    33.00000  107.80000
   83    77    78    35.00000  109.50000
   83    77    79    35.00000  109.50000
   83    85    86    35.00000  120.00000
   83    85    87    70.00000  124.00000
   85    83    84    35.00000  120.00000
   85    87    88    35.00000  109.50000
   85    87    89    35.00000  109.50000
   85    87    90    35.00000  109.50000
   87    85    86    35.00000  117.00000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   71    69    70    70.00000  124.00000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   40    33    34    37.50000  110.70000
   40    33    38    70.00000  112.37300
   40    44    45    80.00000  120.40000
   40    44    53    81.00000  111.40000
   40    46    47    37.50000  110.70000
   40    46    48    37.50000  110.70000
   40    46    49    37.50000  110.70000
   44    40    41    35.00000  109.50000
   44    53    63    83.00000  116.90000
   53    44    45    83.00000  123.40000
   53    63    64    35.00000  109.50000
   53    63    65    35.00000  109.50000
   53    63    66    35.00000  109.50000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   46    40    41    37.50000  110.70000
   46    40    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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    38    50   0.44750  1.0 1.0
   29    33    38    50  -0.17800 -1.0 2.0
   29    33    38    50   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   29    33    40    46   0.44750  1.0 1.0
   29    33    40    46  -0.17800 -1.0 2.0
   29    33    40    46   0.20200  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38   -42    50   0.07850  1.0 1.0
   33    38   -42    50  -0.03950 -1.0 2.0
   33    38   -42    50   0.67350  1.0 3.0
   33    38    42    51  -0.95700  1.0 1.0
   33    38    42    51  -0.18200 -1.0 2.0
   33    38    42    51   0.29450  1.0 3.0
   33    38   -50    42   0.07850  1.0 1.0
   33    38   -50    42  -0.03950 -1.0 2.0
   33    38   -50    42   0.67350  1.0 3.0
   33    38    50    54   0.56750  1.0 1.0
   33    38    50    54  -0.07550 -1.0 2.0
   33    38    50    54   0.20000  1.0 3.0
   33    38    50    58   0.56750  1.0 1.0
   33    38    50    58  -0.07550 -1.0 2.0
   33    38    50    58   0.20000  1.0 3.0
   33    40    44    45   0.30150 -1.0 2.0
   33    40    44    53   0.36750  1.0 3.0
   33    40    46    47   0.15000  1.0 3.0
   33    40    46    48   0.15000  1.0 3.0
   33    40    46    49   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    38    50   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    44  -0.11250  1.0 3.0
   34    33    40    46   0.15000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    44  -0.95700  1.0 1.0
   38    33    40    44  -0.18200 -1.0 2.0
   38    33    40    44   0.29450  1.0 3.0
   38    33    40    46   0.47050  1.0 1.0
   38    33    40    46   0.03900 -1.0 2.0
   38    33    40    46   0.20100  1.0 3.0
   38    42   -50    54   0.07850  1.0 1.0
   38    42   -50    54  -0.03950 -1.0 2.0
   38    42   -50    54   0.67350  1.0 3.0
   38    42   -50    58   0.07850  1.0 1.0
   38    42   -50    58  -0.03950 -1.0 2.0
   38    42   -50    58   0.67350  1.0 3.0
   38    42    51    52   0.30150 -1.0 2.0
   38    42    51    62   0.36750  1.0 3.0
   38    50    54    55   0.15000  1.0 3.0
   38    50    54    56   0.15000  1.0 3.0
   38    50    54    57   0.15000  1.0 3.0
   38    50    58    59   0.15000  1.0 3.0
   38    50    58    60   0.15000  1.0 3.0
   38    50    58    61   0.15000  1.0 3.0
   39    38    42    43   0.15000  1.0 3.0
   39    38   -42    50   0.15000  1.0 3.0
   39    38    42    51   0.15000  1.0 3.0
   39    38   -50    42   0.15000  1.0 3.0
   39    38    50    54   0.15000  1.0 3.0
   39    38    50    58   0.15000  1.0 3.0
   42    38   -50    54   0.07850  1.0 1.0
   42    38   -50    54  -0.03950 -1.0 2.0
   42    38   -50    54   0.67350  1.0 3.0
   42    38   -50    58   0.07850  1.0 1.0
   42    38   -50    58  -0.03950 -1.0 2.0
   42    38   -50    58   0.67350  1.0 3.0
   42    50    54    55   0.15000  1.0 3.0
   42    50    54    56   0.15000  1.0 3.0
   42    50    54    57   0.15000  1.0 3.0
   42    50    58    59   0.15000  1.0 3.0
   42    50    58    60   0.15000  1.0 3.0
   42    50    58    61   0.15000  1.0 3.0
   42    51    62    67   1.63150  1.0 1.0
   42    51    62    67   2.92000 -1.0 2.0
   43    42   -50    38   0.15000  1.0 3.0
   43    42    50    54   0.15000  1.0 3.0
   43    42    50    58   0.15000  1.0 3.0
   43    42    51    52   0.50000  1.0 3.0
   43    42    51    62   0.00000  1.0 1.0
   50    38   -42    43   0.15000  1.0 3.0
   50    38   -42    51  -0.95700  1.0 1.0
   50    38   -42    51  -0.18200 -1.0 2.0
   50    38   -42    51   0.29450  1.0 3.0
   50    42    51    52   0.30150 -1.0 2.0
   50    42    51    62   0.36750  1.0 3.0
   54    50    58    59   0.15000  1.0 3.0
   54    50    58    60   0.15000  1.0 3.0
   54    50    58    61   0.15000  1.0 3.0
   58    50    54    55   0.15000  1.0 3.0
   58    50    54    56   0.15000  1.0 3.0
   58    50    54    57   0.15000  1.0 3.0
   51    42   -50    38  -0.95700  1.0 1.0
   51    42   -50    38  -0.18200 -1.0 2.0
   51    42   -50    38   0.29450  1.0 3.0
   51    42    50    54  -0.95700  1.0 1.0
   51    42    50    54  -0.18200 -1.0 2.0
   51    42    50    54   0.29450  1.0 3.0
   51    42    50    58  -0.95700  1.0 1.0
   51    42    50    58  -0.18200 -1.0 2.0
   51    42    50    58   0.29450  1.0 3.0
   51    62    67    68   0.08050  1.0 3.0
   51    62    67    69  -0.82050  1.0 1.0
   51    62    67    69   0.00600 -1.0 2.0
   51    62    67    69   0.04400  1.0 3.0
   51    62    67    80  -0.25900  1.0 1.0
   51    62    67    80  -0.47000 -1.0 2.0
   51    62    67    80   0.11750  1.0 3.0
   52    51    62    67   3.00000 -1.0 2.0
   62    67    69    70   0.39000  1.0 1.0
   62    67    69    70  -0.05800 -1.0 2.0
   62    67    69    70  -0.55150  1.0 3.0
   62    67    69    71   0.09700  1.0 1.0
   62    67    69    71   0.15600 -1.0 2.0
   62    67    69    71  -0.50800  1.0 3.0
   62    67    80    75  -0.09450  1.0 1.0
   62    67    80    75  -1.12950 -1.0 2.0
   62    67    80    75   0.54000  1.0 3.0
   62    67    80    81   0.23400  1.0 3.0
   62    67    80    82   0.23400  1.0 3.0
   67    69   -70    75   7.00000 -1.0 2.0
   67    69    70    77   7.00000 -1.0 2.0
   67    69    71    72   0.34800  1.0 3.0
   67    69    71    73   0.34800  1.0 3.0
   67    69    71    74   0.34800  1.0 3.0
   68    67    69    70   0.00000  1.0 1.0
   68    67    69    71   0.34800  1.0 3.0
   68    67    80    75  -0.11250  1.0 3.0
   68    67    80    81   0.15000  1.0 3.0
   68    67    80    82   0.15000  1.0 3.0
   69    67   -80    75  -0.98800  1.0 1.0
   69    67   -80    75   0.48800 -1.0 2.0
   69    67   -80    75   0.76800  1.0 3.0
   69    67    80    81   0.15000  1.0 3.0
   69    67    80    82   0.15000  1.0 3.0
   69    70    75    76   1.00000 -1.0 2.0
   69    70   -75    80  -0.33500  1.0 1.0
   69    70   -75    80   1.06600 -1.0 2.0
   69    70   -75    80  -0.14000  1.0 3.0
   69    70    77    78   0.00000  1.0 1.0
   69    70    77    79   0.00000  1.0 1.0
   69    70    77    83  -0.28300  1.0 1.0
   69    70    77    83   0.26700 -1.0 2.0
   69    70    77    83  -0.63300  1.0 3.0
   70    69    71    72   0.00000  1.0 1.0
   70    69    71    73   0.00000  1.0 1.0
   70    69    71    74   0.00000  1.0 1.0
   70    75   -80    67   0.65300  1.0 1.0
   70    75   -80    67  -0.03850 -1.0 2.0
   70    75   -80    67   0.33900  1.0 3.0
   70    75    80    81   0.00000  1.0 1.0
   70    75    80    82   0.00000  1.0 1.0
   70    77    83    84   0.00000  1.0 1.0
   70    77    83    85  -0.28300  1.0 1.0
   70    77    83    85   0.26700 -1.0 2.0
   70    77    83    85  -0.63300  1.0 3.0
   75    70    77    78   0.15000  1.0 3.0
   75    70    77    79   0.15000  1.0 3.0
   75    70    77    83   0.09700  1.0 1.0
   75    70    77    83   0.15600 -1.0 2.0
   75    70    77    83  -0.50800  1.0 3.0
   76    75    80    67   0.30150 -1.0 2.0
   76    75    80    81   0.00000  1.0 1.0
   76    75    80    82   0.00000  1.0 1.0
   80    67   -69    70   0.09850  1.0 1.0
   80    67   -69    70   0.15250 -1.0 2.0
   80    67   -69    70  -0.50650  1.0 3.0
   80    67    69    71   0.46850  1.0 1.0
   80    67    69    71   0.08550 -1.0 2.0
   80    67    69    71   0.09800  1.0 3.0
   77    70    75    76  -0.64400  1.0 1.0
   77    70    75    76   0.26850 -1.0 2.0
   77    70    75    80   0.25700  1.0 1.0
   77    70    75    80   0.66200 -1.0 2.0
   77    70    75    80   0.04450  1.0 3.0
   77    83    85    86   7.00000 -1.0 2.0
   77    83    85    87   7.00000 -1.0 2.0
   78    77    83    84   0.33100  1.0 3.0
   78    77    83    85   0.00000  1.0 1.0
   79    77    83    84   0.33100  1.0 3.0
   79    77    83    85   0.00000  1.0 1.0
   83    85    87    88   0.00000  1.0 1.0
   83    85    87    89   0.00000  1.0 1.0
   83    85    87    90   0.00000  1.0 1.0
   84    83    85    86   7.00000 -1.0 2.0
   84    83    85    87   7.00000 -1.0 2.0
   86    85    87    88   0.33100  1.0 3.0
   86    85    87    89   0.33100  1.0 3.0
   86    85    87    90   0.33100  1.0 3.0
   71    69    70    75   7.00000 -1.0 2.0
   71    69    70    77   7.00000 -1.0 2.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    42   0.07850  1.0 1.0
   40    33    38    42  -0.03950 -1.0 2.0
   40    33    38    42   0.67350  1.0 3.0
   40    33    38    50   0.07850  1.0 1.0
   40    33    38    50  -0.03950 -1.0 2.0
   40    33    38    50   0.67350  1.0 3.0
   40    44    53    63   1.63150  1.0 1.0
   40    44    53    63   2.92000 -1.0 2.0
   41    40    44    45   0.00000  1.0 1.0
   41    40    44    53   0.00000  1.0 1.0
   41    40    46    47   0.15000  1.0 3.0
   41    40    46    48   0.15000  1.0 3.0
   41    40    46    49   0.15000  1.0 3.0
   44    40    46    47  -0.11250  1.0 3.0
   44    40    46    48  -0.11250  1.0 3.0
   44    40    46    49  -0.11250  1.0 3.0
   44    53    63    64   0.08050  1.0 3.0
   44    53    63    65   0.08050  1.0 3.0
   44    53    63    66   0.08050  1.0 3.0
   45    44    53    63   3.00000 -1.0 2.0
   46    40    44    45   0.30150 -1.0 2.0
   46    40    44    53   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    62    51    52  10.50000 -1.0 2.0
   67    71    69    70   1.10000 -1.0 2.0
   75    77    70    69   1.10000 -1.0 2.0
   70    80    75    76  10.50000 -1.0 2.0
   77    84    83    85  15.00000 -1.0 2.0
   87    86    85    83  15.00000 -1.0 2.0
   40    53    44    45  10.50000 -1.0 2.0
END
