* LIGAND DATABASE FILE (OPLS2005)
*
001      90    93    171    263     496
    1     0 S   NP   _N1_     1    28.96839    94.80211   -24.71519
    2     1 S   H    _HN1     2     1.02950    80.37089    15.24502
    3     1 S   H    _H1_     3     1.02833    27.31560  -177.05217
    4     1 S   H    _H2_     4     1.02782   112.11326   -90.77404
    5     1 S   CT   _CA1     5     1.50106   127.42297   123.65130
    6     5 S   HC   _HA1     6     1.09570   105.22325    84.15858
    7     5 S   CO3  _C1_     7     1.53798   112.42288   -36.13661
    8     7 S   O2Z  _O11     8     1.26372   114.99849   -43.11249
    9     7 S   O2Z  _O12     9     1.26235   114.94996   136.07359
   10     5 S   CT   _CB1    10     1.53085   107.45255  -157.80988
   11    10 S   HC   HB11    11     1.09829   109.44243   -49.56249
   12    10 S   HC   HB12    12     1.09818   110.42331    67.06318
   13    10 S   CT   _CG1    13     1.52994   112.57533  -170.54154
   14    13 S   HC   HG11    14     1.09585   110.58447   -64.08597
   15    13 S   HC   HG12    15     1.09663   109.85557    55.15964
   16    13 S   C    _CD1    16     1.51773   112.25821   175.65670
   17    16 S   O    _OE1    17     1.22726   123.23510     4.44779
   18    16 S   N    _N2_    18     1.38627   111.62636  -175.86331
   19    18 S   H    _HN2    19     1.01573   119.04007     1.45723
   20    18 S   CT1  _CA2    20     1.46181   123.35142   178.94279
   21    20 S   HC   _HA2    21     1.09468   109.15141    -4.84286
   22    20 S   C    _C2_    22     1.53455   108.19446  -119.84071
   23    22 S   O    _O2_    23     1.23024   122.50625  -145.63913
   24    20 S   CT   _CB2    32     1.53294   111.69175   117.86958
   25    24 S   HC   HB21    33     1.09682   109.32220    61.83231
   26    24 S   HC   HB22    34     1.09460   111.27659   178.65477
   27    22 S   N    _N3_    24     1.38420   113.42911    41.44244
   28    27 S   H    _HN3    25     1.01613   119.47234    -2.89259
   29    24 S   S    _SG2    35     1.82928   114.42237   -57.02033
   30    27 S   CT   _CA3    26     1.45269   123.14640   177.16393
   31    30 S   HC   HA31    27     1.09550   107.45159   -65.89703
   32    30 S   HC   HA32    28     1.09559   108.03682    50.52214
   33    29 S   CT   _C24    36     1.84329   100.98958   -70.05189
   34    33 S   HC   _H6_    37     1.09280   107.54611    50.61559
   35    30 S   CO3  _C3_    29     1.52942   114.15010   172.58143
   36    35 S   O2Z  _O31    30     1.26371   116.10242    -0.53486
   37    35 S   O2Z  _O32    31     1.26442   114.40568   179.55633
   38    33 S   CM   _C21    38     1.54094   111.06461   -71.93542
   39    33 S   OS   _O35    86     1.43812   110.48742   168.33911
   40    38 S   CMA  _C22    39     1.37053   121.03720   115.92296
   41    40 S   OM   _O33    40     1.26974   125.28360    -1.14586
   42    38 S   CT   _C20    46     1.54824   114.42990   -65.80174
   43    42 S   HC   _H5_    47     1.09876   106.77061    -3.36045
   44    39 S   CT   _C25    87     1.42143   112.97790   -93.07950
   45    44 S   HC   _H28    88     1.09327   108.22970   178.52183
   46    44 S   HC   _H29    89     1.09389   110.85701    59.59419
   47    44 S   HC   _H30    90     1.09427   110.42735   -62.91364
   48    40 S   OS   _O34    41     1.41519   112.14562  -179.42122
   49    42 S   CT   _C19    48     1.54068   111.64927   112.61781
   50    49 S   HC   _H23    49     1.09749   109.77074    67.22270
   51    49 S   HC   _H24    50     1.09592   110.71688   -48.88559
   52    42 S   CT   _C6_    77     1.55693   116.92001  -120.75595
   53    52 S   HC   _H3_    78     1.09642   109.87502   -66.78163
   54    48 S   CT   _C23    42     1.42736   114.43531  -142.23291
   55    54 S   HC   _H25    43     1.09403   107.72173   171.21725
   56    54 S   HC   _H26    44     1.09542   111.07723    53.12044
   57    54 S   HC   _H27    45     1.09473   111.05661   -70.84255
   58    49 S   CT   _C18    51     1.53329   112.56009  -173.00700
   59    58 S   HC   _H4_    52     1.09968   106.23914  -169.24928
   60    52 S   CT   _C5_    79     1.54530   111.68365    52.94552
   61    60 S   HC   _H10    80     1.09555   109.72782   -55.87991
   62    60 S   HC   _H11    81     1.09660   110.02199    61.42557
   63    58 S   C5A  _C17    53     1.50159   114.69713    73.95050
   64    60 S   CT   _C4_    82     1.52308   113.85208  -175.95979
   65    64 S   HC   _H7_    83     1.09359   111.68819   -68.38288
   66    64 S   HC   _H8_    84     1.09496   109.93448   172.58841
   67    64 S   HC   _H9_    85     1.09446   111.06883    53.12394
   68    63 S   C5B  _C10    54     1.38014   124.90749  -149.05725
   69    63 S   NA   _N5_    65     1.36619   126.84943    33.51845
   70    69 S   H    _H22    66     1.01079   125.66985    -2.06990
   71    68 S   C56B _C11    55     1.42092   107.70218  -178.90068
   72    68 S   CT   _C9_    67     1.49071   121.35249     2.74188
   73    72 S   HC   _H16    68     1.09649   108.92815   110.33963
   74    72 S   HC   _H17    69     1.09578   110.29335  -131.93245
   75    71 S   CA   _C12    56     1.40913   134.46034  -179.14682
   76    75 S   HA   _H18    57     1.08613   120.72417    -0.25179
   77    72 S   CT   _C8_    70     1.55051   110.96550   -10.54744
   78    77 S   HC   _H14    71     1.09708   109.45643   163.99354
   79    77 S   HC   _H15    72     1.09869   108.65568   -81.57664
   80    75 S   CA   _C13    58     1.39957   119.26682   179.67135
   81    80 S   HA   _H19    59     1.08686   119.52084  -179.97202
   82    58 S   NT   _N4_    73     1.48690   111.66186   -53.01348
   83    80 S   CA   _C14    60     1.39334   120.77046    -0.05234
   84    83 S   HA   _H20    61     1.08716   119.56503  -179.90935
   85    82 S   CT   _C7_    74     1.47312   113.84159    50.99453
   86    85 S   HC   _H12    75     1.09590   107.44015  -174.00367
   87    85 S   HC   _H13    76     1.09698   111.54999    69.28327
   88    83 S   CA   _C15    62     1.39774   121.04420     0.02798
   89    88 S   HA   _H21    63     1.08496   120.95452  -179.87805
   90    71 S   C56A _C16    64     1.39879   106.82334     0.51738
  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   7   5   4   3
  14   5   2   1   1  16   6  10   3  18   8   3   2   1   1   4
  13   6   5  14   8   3   2   1   1  15   6  10   6   5  13   4
   2   1   1  15   9   3  12   9   5   4   7   4   6   3   2   6
   3   3   4   3   2   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    40    42    39    44  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    48    42    43    49    52    39    44    45    46    47  
   38    40    42    39    44  
   36    37  
   37  
    0  
   40    41    48    54    42    43    49    50    51    58    85    52    53    60    39    44  
   44    45    46    47    40    42  
   41    48    54    55    56    57    42    43    49    52  
   48    54    42  
   43    49    50    51    58    59    63    82    85    86    87    52    53    60    61    62    64    48  
   49    50    51    58    85    52    53    60  
   45    46    47  
   46    47  
   47  
    0  
   54    55    56    57  
   50    51    58    59    63    68    69    77    82    85    52    53    60  
   51    58    59    63    82    52  
   58    59    63    82    52  
   53    60    61    62    64    65    66    67    58    77    82    85    86    87  
   60    61    62    64    82    85    86    87  
   55    56    57  
   56    57  
   57  
    0  
   59    63    68    71    90    69    70    72    77    78    79    82    85    86    87  
   63    68    69    77    82    85  
   61    62    64    65    66    67    82    85    86    87  
   62    64    65    66    67    85  
   64    65    66    67    85  
   68    71    75    88    90    69    70    72    73    74    77    82    85  
   65    66    67    85  
   66    67  
   67  
    0  
   71    75    76    80    88    90    69    70    72    73    74    77    78    79    82  
   70    72    82    71    75    83    88    89    90  
   71    88    90  
   75    76    80    81    83    88    89    90    72    73    74    77  
   73    74    77    78    79    82    85    75    90  
   74    77    78    79    82  
   77    78    79    82  
   76    80    81    83    84    88    90  
   80    81    83    90  
   78    79    82    85    86    87  
   79    82    85  
   82    85  
   81    83    84    88    89    90  
   83    84    88  
   85    86    87  
   84    88    89    90  
   88    89    90  
   86    87  
   87  
    0  
   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  -0.316400   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   0.387900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   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   3.5500   0.0760  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   49   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700  -0.029300   2.5000   1.7750   0.001000000  -0.843144165
   64   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5500   0.0700  -0.174900   2.5000   1.7750   0.001000000  -0.843144165
   69   3.2500   0.1700  -0.478600   1.8650   1.6500   0.001000000  -0.511443539
   70   0.5000   0.0300   0.357700   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5500   0.0700   0.123300   2.5000   1.7750   0.001000000  -0.843144165
   72   3.5000   0.0660  -0.064100   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5500   0.0700  -0.224300   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.169900   1.3810   1.2100   0.030040813   0.268726247
   77   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5500   0.0700  -0.222200   2.0020   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.148900   1.3810   1.2100   0.030040813   0.268726247
   82   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   83   3.5500   0.0700  -0.088800   2.0020   1.7750   0.001000000  -0.843144165
   84   2.4200   0.0300   0.135900   1.3810   1.2100   0.030040813   0.268726247
   85   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   86   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   88   3.5500   0.0700  -0.354100   2.5000   1.7750   0.001000000  -0.843144165
   89   2.4200   0.0300   0.179600   1.3810   1.2100   0.030040813   0.268726247
   90   3.5500   0.0700   0.286000   2.5000   1.7750   0.001000000  -0.843144165
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   317.000  1.510
   33    39   320.000  1.410
   38    40   465.000  1.376
   38    42   317.000  1.510
   40    41   745.000  1.250
   40    48   440.000  1.360
   48    54   320.000  1.410
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   42    43   340.000  1.090
   42    49   268.000  1.529
   42    52   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    58   268.000  1.529
   58    59   340.000  1.090
   58    63   295.000  1.489
   58    82   382.000  1.448
   63    68   520.000  1.370
   63    69   427.000  1.381
   68    71   380.000  1.440
   68    72   295.000  1.494
   71    75   469.000  1.404
   71    90   447.000  1.419
   75    76   367.000  1.080
   75    80   469.000  1.400
   80    81   367.000  1.080
   80    83   469.000  1.400
   83    84   367.000  1.080
   83    88   469.000  1.400
   88    89   367.000  1.080
   88    90   469.000  1.400
   90    69   428.000  1.380
   69    70   434.000  1.010
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    77   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    82   382.000  1.448
   82    85   382.000  1.448
   85    86   340.000  1.090
   85    87   340.000  1.090
   85    52   268.000  1.529
   52    53   340.000  1.090
   52    60   268.000  1.529
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    64   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   39    44   320.000  1.410
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   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  112.20000
   29    33    39    85.00000  114.68000
   33    38    40    70.00000  124.00000
   33    38    42    65.00000  117.92700
   33    39    44    60.00000  109.50000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    48    80.00000  120.01400
   38    42    43    35.00000  109.50000
   38    42    49    70.00000  112.02700
   38    42    52    70.00000  112.02700
   40    48    54    90.00000  111.18400
   48    40    41    65.00000  121.00000
   48    54    55    35.00000  109.50000
   48    54    56    35.00000  109.50000
   48    54    57    35.00000  109.50000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   42    38    40    70.00000  124.00000
   42    49    50    37.50000  110.70000
   42    49    51    37.50000  110.70000
   42    49    58    58.35000  112.70000
   42    52    85    58.35000  112.70000
   42    52    53    37.50000  110.70000
   42    52    60    58.35000  112.70000
   49    42    43    37.50000  110.70000
   49    58    59    37.50000  110.70000
   49    58    63    70.00000  113.44400
   49    58    82    56.20000  109.47000
   51    49    50    33.00000  107.80000
   58    49    50    37.50000  110.70000
   58    49    51    37.50000  110.70000
   58    63    68    55.00000  130.44200
   58    63    69    65.00000  122.56900
   58    82    77    51.80000  107.20000
   58    82    85    51.80000  107.20000
   63    58    59    45.00000  110.47400
   63    68    71    80.00000  105.82900
   63    68    72    55.00000  127.77900
   63    69    90    90.00000  107.14200
   63    69    70    35.00000  120.00000
   68    71    75    50.00000  134.85500
   68    71    90    80.00000  107.43600
   68    72    73    45.00000  111.11700
   68    72    74    45.00000  111.11700
   68    72    77    70.00000  112.62400
   71    75    76    35.00000  120.00000
   71    75    80    63.00000  120.00000
   71    90    88    85.00000  122.70000
   71    90    69    70.00000  104.40000
   75    80    81    35.00000  120.00000
   75    80    83    63.00000  120.00000
   80    75    76    35.00000  120.00000
   80    83    84    35.00000  120.00000
   80    83    88    63.00000  120.00000
   83    80    81    35.00000  120.00000
   83    88    89    35.00000  120.00000
   83    88    90    85.00000  120.00000
   88    83    84    35.00000  120.00000
   88    90    69    70.00000  132.80000
   90    71    75    85.00000  116.20000
   90    88    89    35.00000  120.00000
   90    69    70    35.00000  123.10000
   69    63    68    70.00000  106.30000
   72    68    71    55.00000  128.73000
   72    77    78    37.50000  110.70000
   72    77    79    37.50000  110.70000
   72    77    82    56.20000  109.47000
   74    72    73    33.00000  107.80000
   77    72    73    37.50000  110.70000
   77    72    74    37.50000  110.70000
   77    82    85    51.80000  107.20000
   79    77    78    33.00000  107.80000
   82    58    59    35.00000  109.50000
   82    58    63    75.00000  112.58000
   82    77    78    35.00000  109.50000
   82    77    79    35.00000  109.50000
   82    85    86    35.00000  109.50000
   82    85    87    35.00000  109.50000
   82    85    52    56.20000  109.47000
   85    52    53    37.50000  110.70000
   85    52    60    58.35000  112.70000
   87    85    86    33.00000  107.80000
   52    42    43    37.50000  110.70000
   52    42    49    58.35000  112.70000
   52    85    86    37.50000  110.70000
   52    85    87    37.50000  110.70000
   52    60    61    37.50000  110.70000
   52    60    62    37.50000  110.70000
   52    60    64    58.35000  112.70000
   60    52    53    37.50000  110.70000
   60    64    65    37.50000  110.70000
   60    64    66    37.50000  110.70000
   60    64    67    37.50000  110.70000
   62    60    61    33.00000  107.80000
   64    60    61    37.50000  110.70000
   64    60    62    37.50000  110.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    38    85.00000  110.90400
   39    44    45    35.00000  109.50000
   39    44    46    35.00000  109.50000
   39    44    47    35.00000  109.50000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    38    42   0.30250  1.0 1.0
   29    33    38    42  -0.14950 -1.0 2.0
   29    33    38    42   0.36900  1.0 3.0
   29    33    39    44   0.14700  1.0 1.0
   29    33    39    44  -1.16150 -1.0 2.0
   29    33    39    44   0.48700  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38    40    48   7.00000 -1.0 2.0
   33    38    42    43   0.34800  1.0 3.0
   33    38    42    49   0.46850  1.0 1.0
   33    38    42    49   0.08550 -1.0 2.0
   33    38    42    49   0.09800  1.0 3.0
   33    38    42    52   0.46850  1.0 1.0
   33    38    42    52   0.08550 -1.0 2.0
   33    38    42    52   0.09800  1.0 3.0
   33    39    44    45   0.37050  1.0 3.0
   33    39    44    46   0.37050  1.0 3.0
   33    39    44    47   0.37050  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    38    42   0.34800  1.0 3.0
   34    33    39    44   0.37050  1.0 3.0
   38    33    39    44  -0.77900  1.0 1.0
   38    33    39    44  -0.36900 -1.0 2.0
   38    33    39    44   0.40400  1.0 3.0
   38    40    48    54  -2.26850  1.0 1.0
   38    40    48    54   3.39050 -1.0 2.0
   38    42    49    50   0.15000  1.0 3.0
   38    42    49    51   0.15000  1.0 3.0
   38    42    49    58   0.34400  1.0 1.0
   38    42    49    58   0.09450 -1.0 2.0
   38    42    49    58   0.11100  1.0 3.0
   38    42    52    85   0.34400  1.0 1.0
   38    42    52    85   0.09450 -1.0 2.0
   38    42    52    85   0.11100  1.0 3.0
   38    42    52    53   0.15000  1.0 3.0
   38    42    52    60   0.34400  1.0 1.0
   38    42    52    60   0.09450 -1.0 2.0
   38    42    52    60   0.11100  1.0 3.0
   40    38    42    43   0.00000  1.0 1.0
   40    38    42    49   0.09850  1.0 1.0
   40    38    42    49   0.15250 -1.0 2.0
   40    38    42    49  -0.50650  1.0 3.0
   40    38    42    52   0.09850  1.0 1.0
   40    38    42    52   0.15250 -1.0 2.0
   40    38    42    52  -0.50650  1.0 3.0
   40    48    54    55   0.08050  1.0 3.0
   40    48    54    56   0.08050  1.0 3.0
   40    48    54    57   0.08050  1.0 3.0
   41    40    48    54   2.00000 -1.0 2.0
   42    38    40    41   7.00000 -1.0 2.0
   42    38    40    48   7.00000 -1.0 2.0
   42    49    58    59   0.15000  1.0 3.0
   42    49    58    63  -0.03700  1.0 1.0
   42    49    58    63   0.37200 -1.0 2.0
   42    49    58    63  -0.47300  1.0 3.0
   42    49    58    82   1.53400  1.0 1.0
   42    49    58    82  -0.09950 -1.0 2.0
   42    49    58    82   0.05700  1.0 3.0
   42    52    60    61   0.15000  1.0 3.0
   42    52    60    62   0.15000  1.0 3.0
   42    52    60    64   0.56750  1.0 1.0
   42    52    60    64  -0.07550 -1.0 2.0
   42    52    60    64   0.20000  1.0 3.0
   43    42    49    50   0.15000  1.0 3.0
   43    42    49    51   0.15000  1.0 3.0
   43    42    49    58   0.15000  1.0 3.0
   43    42    52    85   0.15000  1.0 3.0
   43    42    52    53   0.15000  1.0 3.0
   43    42    52    60   0.15000  1.0 3.0
   49    42    52    85   0.56750  1.0 1.0
   49    42    52    85  -0.07550 -1.0 2.0
   49    42    52    85   0.20000  1.0 3.0
   49    42    52    53   0.15000  1.0 3.0
   49    42    52    60   0.56750  1.0 1.0
   49    42    52    60  -0.07550 -1.0 2.0
   49    42    52    60   0.20000  1.0 3.0
   49    58    63    68   0.04150 -1.0 2.0
   49    58    63    69   0.39850  1.0 1.0
   49    58    63    69   0.06450 -1.0 2.0
   49    58    63    69   0.32400  1.0 3.0
   49    58    82    77   0.23450  1.0 1.0
   49    58    82    77   0.02050 -1.0 2.0
   49    58    82    77   0.25250  1.0 3.0
   49    58   -82    85   0.23450  1.0 1.0
   49    58   -82    85   0.02050 -1.0 2.0
   49    58   -82    85   0.25250  1.0 3.0
   50    49    58    59   0.15000  1.0 3.0
   50    49    58    63   0.43200  1.0 3.0
   50    49    58    82   0.15000  1.0 3.0
   51    49    58    59   0.15000  1.0 3.0
   51    49    58    63   0.43200  1.0 3.0
   51    49    58    82   0.15000  1.0 3.0
   58    63    68    71   3.62500 -1.0 2.0
   58    63    68    72   3.62500 -1.0 2.0
   58    63    69    90   3.62500 -1.0 2.0
   58    63    69    70   2.00000 -1.0 2.0
   58    82    85    86   0.28000  1.0 3.0
   58    82    85    87   0.28000  1.0 3.0
   58    82    85    52   0.23450  1.0 1.0
   58    82    85    52   0.02050 -1.0 2.0
   58    82    85    52   0.25250  1.0 3.0
   59    58    63    68   0.00000  1.0 1.0
   59    58    63    69   0.00000  1.0 1.0
   59    58    82    77   0.28000  1.0 3.0
   59    58    82    85   0.28000  1.0 3.0
   63    58    82    77   0.82600  1.0 1.0
   63    58    82    77  -0.32100 -1.0 2.0
   63    58    82    77   1.02000  1.0 3.0
   63    58    82    85   0.82600  1.0 1.0
   63    58    82    85  -0.32100 -1.0 2.0
   63    58    82    85   1.02000  1.0 3.0
   63    68    71    75   3.62500 -1.0 2.0
   63    68   -71    90   3.50000 -1.0 2.0
   63    68    72    73   0.00000  1.0 1.0
   63    68    72    74   0.00000  1.0 1.0
   63    68   -72    77   0.04150 -1.0 2.0
   68    63   -69    90   3.62500 -1.0 2.0
   68    63    69    70   1.40000 -1.0 2.0
   68    71    75    76   3.62500 -1.0 2.0
   68    71    75    80   3.62500 -1.0 2.0
   68    71    90    88   3.00000 -1.0 2.0
   68    71   -90    69   3.00000 -1.0 2.0
   68    72    77    78   0.43200  1.0 3.0
   68    72    77    79   0.43200  1.0 3.0
   68    72    77    82   0.83750  1.0 1.0
   68    72    77    82   0.32200 -1.0 2.0
   68    72    77    82   0.70600  1.0 3.0
   71    68    72    73   0.00000  1.0 1.0
   71    68    72    74   0.00000  1.0 1.0
   71    68    72    77   0.04150 -1.0 2.0
   71    75    80    81   3.62500 -1.0 2.0
   71    75    80    83   3.62500 -1.0 2.0
   71    90   -69    63   3.62500 -1.0 2.0
   71    90    69    70   1.52500 -1.0 2.0
   75    71    90    88   3.00000 -1.0 2.0
   75    71    90    69   3.00000 -1.0 2.0
   75    80    83    84   3.62500 -1.0 2.0
   75    80   -83    88   3.62500 -1.0 2.0
   76    75    80    81   3.62500 -1.0 2.0
   76    75    80    83   3.62500 -1.0 2.0
   80    83    88    89   3.62500 -1.0 2.0
   80    83    88    90   3.62500 -1.0 2.0
   81    80    83    84   3.62500 -1.0 2.0
   81    80    83    88   3.62500 -1.0 2.0
   83    88   -90    71   3.62500 -1.0 2.0
   83    88    90    69   3.62500 -1.0 2.0
   84    83    88    89   3.62500 -1.0 2.0
   84    83    88    90   3.62500 -1.0 2.0
   88    90    69    63   3.62500 -1.0 2.0
   88    90    69    70   1.52500 -1.0 2.0
   89    88    90    71   3.62500 -1.0 2.0
   89    88    90    69   3.62500 -1.0 2.0
   90    71    75    76   3.50000 -1.0 2.0
   90    71   -75    80   3.50000 -1.0 2.0
   69    63   -68    71   3.62500 -1.0 2.0
   69    63    68    72   3.62500 -1.0 2.0
   72    68    71    75   3.62500 -1.0 2.0
   72    68    71    90   3.62500 -1.0 2.0
   72    77   -82    58   0.23450  1.0 1.0
   72    77   -82    58   0.02050 -1.0 2.0
   72    77   -82    58   0.25250  1.0 3.0
   72    77    82    85   0.23450  1.0 1.0
   72    77    82    85   0.02050 -1.0 2.0
   72    77    82    85   0.25250  1.0 3.0
   73    72    77    78   0.15000  1.0 3.0
   73    72    77    79   0.15000  1.0 3.0
   73    72    77    82   0.15000  1.0 3.0
   74    72    77    78   0.15000  1.0 3.0
   74    72    77    79   0.15000  1.0 3.0
   74    72    77    82   0.15000  1.0 3.0
   77    82    85    86   0.28000  1.0 3.0
   77    82    85    87   0.28000  1.0 3.0
   77    82    85    52   0.23450  1.0 1.0
   77    82    85    52   0.02050 -1.0 2.0
   77    82    85    52   0.25250  1.0 3.0
   78    77    82    58   0.28000  1.0 3.0
   78    77    82    85   0.28000  1.0 3.0
   79    77    82    58   0.28000  1.0 3.0
   79    77    82    85   0.28000  1.0 3.0
   82    58   -63    68   0.18550 -1.0 2.0
   82    58   -63    68   0.14000  1.0 3.0
   82    58    63    69   0.04300 -1.0 2.0
   82    85   -52    42   1.53400  1.0 1.0
   82    85   -52    42  -0.09950 -1.0 2.0
   82    85   -52    42   0.05700  1.0 3.0
   82    85    52    53   0.15000  1.0 3.0
   82    85    52    60   1.53400  1.0 1.0
   82    85    52    60  -0.09950 -1.0 2.0
   82    85    52    60   0.05700  1.0 3.0
   85    52    60    61   0.15000  1.0 3.0
   85    52    60    62   0.15000  1.0 3.0
   85    52    60    64   0.56750  1.0 1.0
   85    52    60    64  -0.07550 -1.0 2.0
   85    52    60    64   0.20000  1.0 3.0
   86    85    52    42   0.15000  1.0 3.0
   86    85    52    53   0.15000  1.0 3.0
   86    85    52    60   0.15000  1.0 3.0
   87    85    52    42   0.15000  1.0 3.0
   87    85    52    53   0.15000  1.0 3.0
   87    85    52    60   0.15000  1.0 3.0
   52    42    49    50   0.15000  1.0 3.0
   52    42    49    51   0.15000  1.0 3.0
   52    42   -49    58   0.56750  1.0 1.0
   52    42   -49    58  -0.07550 -1.0 2.0
   52    42   -49    58   0.20000  1.0 3.0
   52    60    64    65   0.15000  1.0 3.0
   52    60    64    66   0.15000  1.0 3.0
   52    60    64    67   0.15000  1.0 3.0
   53    52    60    61   0.15000  1.0 3.0
   53    52    60    62   0.15000  1.0 3.0
   53    52    60    64   0.15000  1.0 3.0
   61    60    64    65   0.15000  1.0 3.0
   61    60    64    66   0.15000  1.0 3.0
   61    60    64    67   0.15000  1.0 3.0
   62    60    64    65   0.15000  1.0 3.0
   62    60    64    66   0.15000  1.0 3.0
   62    60    64    67   0.15000  1.0 3.0
   39    33    38    40   0.39000  1.0 1.0
   39    33    38    40  -0.05800 -1.0 2.0
   39    33    38    40  -0.55150  1.0 3.0
   39    33    38    42   0.09700  1.0 1.0
   39    33    38    42   0.15600 -1.0 2.0
   39    33    38    42  -0.50800  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
   33    42    38    40  15.00000 -1.0 2.0
   41    48    40    38  15.00000 -1.0 2.0
   68    69    63    58   4.00000 -1.0 2.0
   71    72    68    63   4.00000 -1.0 2.0
   75    90    71    68   4.00000 -1.0 2.0
   80    76    75    71   1.10000 -1.0 2.0
   83    81    80    75   1.10000 -1.0 2.0
   88    84    83    80   1.10000 -1.0 2.0
   90    89    88    83   1.10000 -1.0 2.0
   88    69    90    71   4.00000 -1.0 2.0
   70    63    69    90   1.00000 -1.0 2.0
END
