* LIGAND DATABASE FILE (OPLS2005)
*
001      94    95    171    249     494
    1     0 S   NP   _N1_     1    28.65828    97.12546   -23.48964
    2     1 S   H    _HN1     2     1.02827    42.32863   169.13737
    3     1 S   H    _H1_     3     1.02785   104.82982   -90.41582
    4     1 S   H    _H2_     4     1.02950    68.18810    13.77621
    5     1 S   CT   _CA1     5     1.50114   140.62904   109.75083
    6     5 S   HC   _HA1     6     1.09573   105.19108    97.52914
    7     5 S   CO3  _C1_     7     1.53786   112.48133   -22.69779
    8     7 S   O2Z  _O11     8     1.26372   115.00450   -41.97160
    9     7 S   O2Z  _O12     9     1.26241   114.95165   137.16395
   10     5 S   CT   _CB1    10     1.53080   107.41858  -144.48089
   11    10 S   HC   HB11    11     1.09833   109.36524   -49.65640
   12    10 S   HC   HB12    12     1.09813   110.44511    66.95148
   13    10 S   CT   _CG1    13     1.52990   112.61393  -170.63578
   14    13 S   HC   HG11    14     1.09580   110.63344   -65.88807
   15    13 S   HC   HG12    15     1.09671   109.77887    53.34286
   16    13 S   C    _CD1    16     1.51802   112.22716   173.79562
   17    16 S   O    _OE1    17     1.22730   123.28727     7.23560
   18    16 S   N    _N2_    18     1.38657   111.67006  -172.84569
   19    18 S   H    _HN2    19     1.01580   118.93179     1.71760
   20    18 S   CT1  _CA2    20     1.46187   123.39475   177.31591
   21    20 S   HC   _HA2    21     1.09736   109.35445     3.24341
   22    20 S   C    _C2_    22     1.53580   108.72844  -112.25268
   23    22 S   O    _O2_    23     1.23068   122.25395  -148.64324
   24    20 S   CT   _CB2    32     1.53319   111.57844   125.26590
   25    24 S   HC   HB21    33     1.09583   110.10326    55.88287
   26    24 S   HC   HB22    34     1.09420   109.94824   174.92835
   27    22 S   N    _N3_    24     1.38318   113.75345    38.83374
   28    27 S   H    _HN3    25     1.01580   119.59597    -3.33630
   29    24 S   S    _SG2    35     1.82841   111.55780   -65.11780
   30    27 S   CT   _CA3    26     1.45287   123.22305   177.14460
   31    30 S   HC   HA31    27     1.09549   107.51433   -64.54144
   32    30 S   HC   HA32    28     1.09556   107.98278    51.89965
   33    29 S   CT   _C19    36     1.84482    99.57671   172.57162
   34    33 S   HC   _H6_    37     1.09682   105.58763   -52.37470
   35    30 S   CO3  _C3_    29     1.52964   114.07382   173.89221
   36    35 S   O2Z  _O31    30     1.26378   116.06846    -0.61326
   37    35 S   O2Z  _O32    31     1.26428   114.41257   179.44645
   38    33 S   CT   _C20    38     1.53039   108.87601  -167.11840
   39    38 S   HC   _H24    39     1.09668   110.14915   160.16480
   40    38 S   HC   _H25    40     1.09659   111.86019    42.57530
   41    38 S   CO4  _C21    41     1.51247   111.83122   -80.56804
   42    41 S   O    _O37    42     1.23173   120.43915   127.43327
   43    41 S   CT   _C16    43     1.53939   117.57539   -53.72590
   44    43 S   CT   _C17    44     1.56486   107.92252     7.13820
   45    44 S   HC   _H22    45     1.09545   111.73418   -73.16587
   46    44 S   HC   _H23    46     1.09581   109.90893   172.18915
   47    43 S   CT   _C23    54     1.56480   105.73952   124.14674
   48    47 S   HC   _H29    55     1.09672   110.35222    61.19158
   49    47 S   HC   _H30    56     1.09801   109.54888   -51.85798
   50    43 S   CT   _C5_    62     1.59114   111.16064  -112.41348
   51    50 S   HC   _H3_    63     1.09981   105.43202   165.44755
   52    33 S   CT   _C18    47     1.54756   110.91156    67.37804
   53    52 S   HC   _H5_    48     1.09563   111.02512     9.99666
   54    47 S   CM   _C24    57     1.50402   115.46396  -175.96765
   55    54 S   HC   _H31    58     1.08564   117.82776   -62.98182
   56    50 S   CT   _C4_    64     1.54613   112.19143    50.43123
   57    56 S   HC   _H7_    65     1.09451   111.84566   -67.45508
   58    56 S   HC   _H8_    66     1.09194   112.40956    54.04408
   59    56 S   HC   _H9_    67     1.09432   111.08356   172.33028
   60    50 S   CT   _C6_    68     1.56539   116.02007   -76.90360
   61    60 S   HC   _H4_    69     1.09325   111.08091   -43.96560
   62    52 S   OS   _O38    49     1.43720   106.87225  -107.65964
   63    54 S   CM   _C25    59     1.33819   123.91941   118.01966
   64    63 S   HC   _H32    60     1.08477   120.49075   179.51141
   65    63 S   HC   _H33    61     1.08460   121.64570    -0.53045
   66    60 S   CA   _C7_    70     1.52567   112.58589  -161.74591
   67    60 S   OH   _O36    93     1.42428   111.83740    74.14297
   68    67 S   HO   _H21    94     0.97303   107.90372   -61.34322
   69    62 S   CT   _C22    50     1.42153   113.68928   158.40874
   70    69 S   HC   _H26    51     1.09344   108.09978  -176.89764
   71    69 S   HC   _H27    52     1.09271   111.19334    64.44488
   72    69 S   HC   _H28    53     1.09417   110.64156   -58.39611
   73    66 S   CA   _C8_    71     1.40578   121.96901  -100.92148
   74    73 S   HA   _H10    72     1.08594   118.47120    -0.23407
   75    73 S   CA   _C9_    73     1.39778   120.93186   179.50544
   76    75 S   CA   _C10    74     1.40325   118.84423    -0.85547
   77    75 S   OS   _O35    88     1.37112   125.08424   179.22192
   78    76 S   CA   _C11    75     1.40281   121.39694     2.02033
   79    76 S   OS   _O34    83     1.37718   119.26143   178.48793
   80    77 S   CT   _C15    89     1.42223   117.24599    -0.37220
   81    80 S   HC   _H18    90     1.09428   107.73495  -179.62885
   82    80 S   HC   _H19    91     1.09498   111.12069    62.67929
   83    80 S   HC   _H20    92     1.09498   111.16664   -61.89871
   84    66 S   CA   _C12    76     1.40678   119.03360    78.85805
   85    84 S   HA   _H11    77     1.08590   118.11723     0.75899
   86    78 S   OS   _O33    78     1.37083   116.14913   177.97011
   87    79 S   CT   _C14    84     1.42842   110.07824    91.71138
   88    87 S   HC   _H15    85     1.09406   107.77742  -179.97202
   89    87 S   HC   _H16    86     1.09541   111.33224    61.75876
   90    87 S   HC   _H17    87     1.09542   111.34137   -61.69872
   91    86 S   CT   _C13    79     1.42224   117.25172   179.94766
   92    91 S   HC   _H12    80     1.09428   107.74360   179.98022
   93    91 S   HC   _H13    81     1.09499   111.14889    62.23869
   94    91 S   HC   _H14    82     1.09501   111.13544   -62.30671
  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  11   5   4  14   4  22  14   6   5  12   5
   4  14   8   6   2   4   3   7   3   2   1  10   5   4   2   1
   1  11   3   1   3   2   1   1   9   4  11  12   6   9   6   3
   2   1   1   3   1   4   3   2   1   1   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    52    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    44    52    53    62  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    46    52    53    62    69  
   38    39    40    41    44    52    53    62  
   36    37  
   37  
    0  
   39    40    41    42    43    44    52    53    62    47    50  
   40    41    42    43    52  
   41    42    43    52  
   42    43    44    45    46    52    47    48    49    54    50    51    56    60  
   43    44    47    50  
   44    45    46    52    53    62    47    48    49    54    55    63    50    51    56    57    58    59    60    61    66    67  
   45    46    52    53    62    69    47    48    49    54    50    51    56    60  
   46    52    53    62    47    50  
   52    53    62    47    50  
   48    49    54    55    63    64    65    50    51    56    60    52  
   49    54    55    63    50  
   54    55    63    50  
   51    56    57    58    59    60    61    66    73    84    67    68    52    54  
   56    57    58    59    60    61    66    67  
   53    62    69    70    71    72  
   62    69  
   55    63    64    65  
   63    64    65  
   57    58    59    60    61    66    67  
   58    59    60  
   59    60  
   60  
   61    66    73    74    75    78    84    85    67    68  
   66    73    84    67    68  
   69    70    71    72  
   64    65  
   65  
    0  
   73    74    75    76    78    84    85    86    77    67    68  
   68    73    84  
    0  
   70    71    72  
   71    72  
   72  
    0  
   74    75    76    78    84    85    79    77    80  
   75    76    84    77  
   76    78    84    86    79    87    77    80    81    82    83  
   78    84    85    86    91    79    87    88    89    90    77    80  
   80    81    82    83    78    79  
   84    85    86    91    92    93    94    79    87  
   87    88    89    90    84    86  
   81    82    83  
   82    83  
   83  
    0  
   85    86    91  
   86  
   91    92    93    94  
   88    89    90  
   89    90  
   90  
    0  
   92    93    94  
   93    94  
   94  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   63   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   74   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   75   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   76   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   77   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   78   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   79   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   80   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   84   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   85   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   86   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   87   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   91   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   92   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   93   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   94   2.5000   0.0300   0.030000   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   268.000  1.529
   33    52   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   317.000  1.522
   43    44   268.000  1.529
   43    47   268.000  1.529
   43    50   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    52   268.000  1.529
   52    53   340.000  1.090
   52    62   320.000  1.410
   62    69   320.000  1.410
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    54   317.000  1.510
   54    55   340.000  1.080
   54    63   549.000  1.340
   63    64   340.000  1.080
   63    65   340.000  1.080
   50    51   340.000  1.090
   50    56   268.000  1.529
   50    60   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   340.000  1.090
   60    61   340.000  1.090
   60    66   317.000  1.510
   60    67   320.000  1.410
   66    73   469.000  1.400
   66    84   469.000  1.400
   73    74   367.000  1.080
   73    75   469.000  1.400
   75    76   469.000  1.400
   75    77   450.000  1.364
   76    78   469.000  1.400
   76    79   450.000  1.364
   78    84   469.000  1.400
   78    86   450.000  1.364
   84    85   367.000  1.080
   86    91   320.000  1.410
   91    92   340.000  1.090
   91    93   340.000  1.090
   91    94   340.000  1.090
   79    87   320.000  1.410
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   77    80   320.000  1.410
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   67    68   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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    52    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    52    44    58.35000  112.70000
   33    52    53    37.50000  110.70000
   33    52    62    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    70.00000  116.00000
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    63.00000  111.10000
   41    43    47    63.00000  111.10000
   41    43    50    63.00000  111.10000
   43    41    42    80.00000  120.40000
   43    44    45    37.50000  110.70000
   43    44    46    37.50000  110.70000
   43    44    52    58.35000  112.70000
   43    47    48    37.50000  110.70000
   43    47    49    37.50000  110.70000
   43    47    54    70.00000  112.02700
   43    50    51    37.50000  110.70000
   43    50    56    58.35000  112.70000
   43    50    60    58.35000  112.70000
   44    52    53    37.50000  110.70000
   44    52    62    50.00000  109.50000
   46    44    45    33.00000  107.80000
   52    33    34    37.50000  110.70000
   52    33    38    58.35000  112.70000
   52    44    45    37.50000  110.70000
   52    44    46    37.50000  110.70000
   52    62    69    60.00000  109.50000
   62    52    53    35.00000  109.50000
   62    69    70    35.00000  109.50000
   62    69    71    35.00000  109.50000
   62    69    72    35.00000  109.50000
   71    69    70    33.00000  107.80000
   72    69    70    33.00000  107.80000
   72    69    71    33.00000  107.80000
   47    43    44    58.35000  112.70000
   47    54    55    35.00000  117.00000
   47    54    63    70.00000  124.00000
   49    47    48    33.00000  107.80000
   54    47    48    35.00000  109.50000
   54    47    49    35.00000  109.50000
   54    63    64    35.00000  120.00000
   54    63    65    35.00000  120.00000
   63    54    55    35.00000  120.00000
   65    63    64    35.00000  117.00000
   50    43    44    58.35000  112.70000
   50    43    47    58.35000  112.70000
   50    56    57    37.50000  110.70000
   50    56    58    37.50000  110.70000
   50    56    59    37.50000  110.70000
   50    60    61    37.50000  110.70000
   50    60    66    70.00000  112.17500
   50    60    67    50.00000  109.50000
   56    50    51    37.50000  110.70000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    33.00000  107.80000
   60    50    51    37.50000  110.70000
   60    50    56    58.35000  112.70000
   60    66    73    70.00000  120.00000
   60    66    84    70.00000  120.00000
   60    67    68    55.00000  108.50000
   66    60    61    35.00000  109.50000
   66    73    74    35.00000  120.00000
   66    73    75    63.00000  120.00000
   66    84    78    63.00000  120.00000
   66    84    85    35.00000  120.00000
   73    75    76    63.00000  120.00000
   73    75    77    70.00000  120.00000
   75    73    74    35.00000  120.00000
   75    76    78    63.00000  120.00000
   75    76    79    70.00000  120.00000
   75    77    80    75.00000  111.00000
   76    78    84    63.00000  120.00000
   76    78    86    70.00000  120.00000
   76    79    87    75.00000  111.00000
   78    84    85    35.00000  120.00000
   78    86    91    75.00000  111.00000
   84    66    73    63.00000  120.00000
   86    78    84    70.00000  120.00000
   86    91    92    35.00000  109.50000
   86    91    93    35.00000  109.50000
   86    91    94    35.00000  109.50000
   93    91    92    33.00000  107.80000
   94    91    92    33.00000  107.80000
   94    91    93    33.00000  107.80000
   79    76    78    70.00000  120.00000
   79    87    88    35.00000  109.50000
   79    87    89    35.00000  109.50000
   79    87    90    35.00000  109.50000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   77    75    76    70.00000  120.00000
   77    80    81    35.00000  109.50000
   77    80    82    35.00000  109.50000
   77    80    83    35.00000  109.50000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   67    60    61    35.00000  109.50000
   67    60    66    90.00000  112.51600
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    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    52    44   0.44750  1.0 1.0
   29    33    52    44  -0.17800 -1.0 2.0
   29    33    52    44   0.20200  1.0 3.0
   29    33    52    53   0.15000  1.0 3.0
   29    33    52    62   0.56750  1.0 1.0
   29    33    52    62  -0.07550 -1.0 2.0
   29    33    52    62   0.20000  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38    41    43   0.60050  1.0 1.0
   33    38    41    43   0.05600 -1.0 2.0
   33    38    41    43   0.26150  1.0 3.0
   33    52    62    69   0.06250  1.0 1.0
   33    52    62    69  -0.01100 -1.0 2.0
   33    52    62    69   0.28050  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  -0.11250  1.0 3.0
   34    33    52    44   0.15000  1.0 3.0
   34    33    52    53   0.15000  1.0 3.0
   34    33    52    62   0.23400  1.0 3.0
   38    33    52    44   0.56750  1.0 1.0
   38    33    52    44  -0.07550 -1.0 2.0
   38    33    52    44   0.20000  1.0 3.0
   38    33    52    53   0.15000  1.0 3.0
   38    33    52    62   0.62750  1.0 1.0
   38    33    52    62  -0.30950 -1.0 2.0
   38    33    52    62   0.27300  1.0 3.0
   38    41   -43    44   0.60050  1.0 1.0
   38    41   -43    44   0.05600 -1.0 2.0
   38    41   -43    44   0.26150  1.0 3.0
   38    41    43    47   0.60050  1.0 1.0
   38    41    43    47   0.05600 -1.0 2.0
   38    41    43    47   0.26150  1.0 3.0
   38    41    43    50   0.60050  1.0 1.0
   38    41    43    50   0.05600 -1.0 2.0
   38    41    43    50   0.26150  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.00000  1.0 1.0
   41    43    44    45  -0.11250  1.0 3.0
   41    43    44    46  -0.11250  1.0 3.0
   41    43    44    52  -0.95700  1.0 1.0
   41    43    44    52  -0.18200 -1.0 2.0
   41    43    44    52   0.29450  1.0 3.0
   41    43    47    48  -0.11250  1.0 3.0
   41    43    47    49  -0.11250  1.0 3.0
   41    43    47    54  -0.98800  1.0 1.0
   41    43    47    54   0.48800 -1.0 2.0
   41    43    47    54   0.76800  1.0 3.0
   41    43    50    51  -0.11250  1.0 3.0
   41    43    50    56  -0.95700  1.0 1.0
   41    43    50    56  -0.18200 -1.0 2.0
   41    43    50    56   0.29450  1.0 3.0
   41    43    50    60  -0.95700  1.0 1.0
   41    43    50    60  -0.18200 -1.0 2.0
   41    43    50    60   0.29450  1.0 3.0
   42    41    43    44   0.30150 -1.0 2.0
   42    41    43    47   0.30150 -1.0 2.0
   42    41    43    50   0.30150 -1.0 2.0
   43    44   -52    33   0.56750  1.0 1.0
   43    44   -52    33  -0.07550 -1.0 2.0
   43    44   -52    33   0.20000  1.0 3.0
   43    44    52    53   0.15000  1.0 3.0
   43    44    52    62   0.62750  1.0 1.0
   43    44    52    62  -0.30950 -1.0 2.0
   43    44    52    62   0.27300  1.0 3.0
   43    47    54    55   0.00000  1.0 1.0
   43    47    54    63   0.09850  1.0 1.0
   43    47    54    63   0.15250 -1.0 2.0
   43    47    54    63  -0.50650  1.0 3.0
   43    50    56    57   0.15000  1.0 3.0
   43    50    56    58   0.15000  1.0 3.0
   43    50    56    59   0.15000  1.0 3.0
   43    50    60    61   0.15000  1.0 3.0
   43    50    60    66  -0.03700  1.0 1.0
   43    50    60    66   0.37200 -1.0 2.0
   43    50    60    66  -0.47300  1.0 3.0
   43    50    60    67   0.86500  1.0 1.0
   43    50    60    67  -0.17500 -1.0 2.0
   43    50    60    67   0.20800  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    49   0.15000  1.0 3.0
   44    43    47    54   0.34400  1.0 1.0
   44    43    47    54   0.09450 -1.0 2.0
   44    43    47    54   0.11100  1.0 3.0
   44    43    50    51   0.15000  1.0 3.0
   44    43    50    56   0.56750  1.0 1.0
   44    43    50    56  -0.07550 -1.0 2.0
   44    43    50    56   0.20000  1.0 3.0
   44    43    50    60   0.56750  1.0 1.0
   44    43    50    60  -0.07550 -1.0 2.0
   44    43    50    60   0.20000  1.0 3.0
   44    52    62    69   0.06250  1.0 1.0
   44    52    62    69  -0.01100 -1.0 2.0
   44    52    62    69   0.28050  1.0 3.0
   45    44    52    33   0.15000  1.0 3.0
   45    44    52    53   0.15000  1.0 3.0
   45    44    52    62   0.23400  1.0 3.0
   46    44    52    33   0.15000  1.0 3.0
   46    44    52    53   0.15000  1.0 3.0
   46    44    52    62   0.23400  1.0 3.0
   52    33    38    39   0.15000  1.0 3.0
   52    33    38    40   0.15000  1.0 3.0
   52    33   -38    41  -0.95700  1.0 1.0
   52    33   -38    41  -0.18200 -1.0 2.0
   52    33   -38    41   0.29450  1.0 3.0
   52    62    69    70   0.37050  1.0 3.0
   52    62    69    71   0.37050  1.0 3.0
   52    62    69    72   0.37050  1.0 3.0
   53    52    62    69   0.37050  1.0 3.0
   47    43    44    45   0.15000  1.0 3.0
   47    43    44    46   0.15000  1.0 3.0
   47    43    44    52   0.56750  1.0 1.0
   47    43    44    52  -0.07550 -1.0 2.0
   47    43    44    52   0.20000  1.0 3.0
   47    43    50    51   0.15000  1.0 3.0
   47    43    50    56   0.56750  1.0 1.0
   47    43    50    56  -0.07550 -1.0 2.0
   47    43    50    56   0.20000  1.0 3.0
   47    43    50    60   0.56750  1.0 1.0
   47    43    50    60  -0.07550 -1.0 2.0
   47    43    50    60   0.20000  1.0 3.0
   47    54    63    64   7.00000 -1.0 2.0
   47    54    63    65   7.00000 -1.0 2.0
   48    47    54    55   0.33100  1.0 3.0
   48    47    54    63   0.00000  1.0 1.0
   49    47    54    55   0.33100  1.0 3.0
   49    47    54    63   0.00000  1.0 1.0
   55    54    63    64   7.00000 -1.0 2.0
   55    54    63    65   7.00000 -1.0 2.0
   50    43    44    45   0.15000  1.0 3.0
   50    43    44    46   0.15000  1.0 3.0
   50    43    44    52   0.56750  1.0 1.0
   50    43    44    52  -0.07550 -1.0 2.0
   50    43    44    52   0.20000  1.0 3.0
   50    43    47    48   0.15000  1.0 3.0
   50    43    47    49   0.15000  1.0 3.0
   50    43    47    54   0.34400  1.0 1.0
   50    43    47    54   0.09450 -1.0 2.0
   50    43    47    54   0.11100  1.0 3.0
   50    60    66    73   0.04150 -1.0 2.0
   50    60    66    84   0.04150 -1.0 2.0
   50    60    67    68  -0.11600  1.0 1.0
   50    60    67    68  -0.09450 -1.0 2.0
   50    60    67    68   0.21250  1.0 3.0
   51    50    56    57   0.15000  1.0 3.0
   51    50    56    58   0.15000  1.0 3.0
   51    50    56    59   0.15000  1.0 3.0
   51    50    60    61   0.15000  1.0 3.0
   51    50    60    66   0.43200  1.0 3.0
   51    50    60    67   0.23400  1.0 3.0
   56    50    60    61   0.15000  1.0 3.0
   56    50    60    66  -0.03700  1.0 1.0
   56    50    60    66   0.37200 -1.0 2.0
   56    50    60    66  -0.47300  1.0 3.0
   56    50    60    67   0.86500  1.0 1.0
   56    50    60    67  -0.17500 -1.0 2.0
   56    50    60    67   0.20800  1.0 3.0
   60    50    56    57   0.15000  1.0 3.0
   60    50    56    58   0.15000  1.0 3.0
   60    50    56    59   0.15000  1.0 3.0
   60    66    73    74   3.62500 -1.0 2.0
   60    66    73    75   3.62500 -1.0 2.0
   60    66    84    78   3.62500 -1.0 2.0
   60    66    84    85   3.62500 -1.0 2.0
   61    60    66    73   0.00000  1.0 1.0
   61    60    66    84   0.00000  1.0 1.0
   61    60    67    68   0.19450  1.0 3.0
   66    60    67    68   0.31900  1.0 1.0
   66    60    67    68  -0.11800 -1.0 2.0
   66    60    67    68   0.38750  1.0 3.0
   66    73    75    76   3.62500 -1.0 2.0
   66    73    75    77   3.62500 -1.0 2.0
   73    66    84    78   3.62500 -1.0 2.0
   73    66    84    85   3.62500 -1.0 2.0
   73    75   -76    78   3.62500 -1.0 2.0
   73    75    76    79   3.62500 -1.0 2.0
   73    75    77    80   1.63200 -1.0 2.0
   74    73    75    76   3.62500 -1.0 2.0
   74    73    75    77   3.62500 -1.0 2.0
   75    76    78    84   3.62500 -1.0 2.0
   75    76    78    86   3.62500 -1.0 2.0
   75    76    79    87   1.63200 -1.0 2.0
   75    77    80    81   0.08050  1.0 3.0
   75    77    80    82   0.08050  1.0 3.0
   75    77    80    83   0.08050  1.0 3.0
   76    75    77    80   1.63200 -1.0 2.0
   76    78   -84    66   3.62500 -1.0 2.0
   76    78    84    85   3.62500 -1.0 2.0
   76    78    86    91   1.63200 -1.0 2.0
   76    79    87    88   0.08050  1.0 3.0
   76    79    87    89   0.08050  1.0 3.0
   76    79    87    90   0.08050  1.0 3.0
   78    76    79    87   1.63200 -1.0 2.0
   78    86    91    92   0.08050  1.0 3.0
   78    86    91    93   0.08050  1.0 3.0
   78    86    91    94   0.08050  1.0 3.0
   84    66    73    74   3.62500 -1.0 2.0
   84    66   -73    75   3.62500 -1.0 2.0
   84    78    86    91   1.63200 -1.0 2.0
   86    78    84    66   3.62500 -1.0 2.0
   86    78    84    85   3.62500 -1.0 2.0
   79    76    78    84   3.62500 -1.0 2.0
   79    76    78    86   3.62500 -1.0 2.0
   77    75    76    78   3.62500 -1.0 2.0
   77    75    76    79   3.62500 -1.0 2.0
   67    60    66    73   0.14300 -1.0 2.0
   67    60    66    73   0.00300  1.0 3.0
   67    60    66    84   0.14300 -1.0 2.0
   67    60    66    84   0.00300  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   38    43    41    42  10.50000 -1.0 2.0
   47    55    54    63  15.00000 -1.0 2.0
   64    65    63    54  15.00000 -1.0 2.0
   73    84    66    60   4.00000 -1.0 2.0
   75    74    73    66   1.10000 -1.0 2.0
   76    77    75    73   4.00000 -1.0 2.0
   78    79    76    75   4.00000 -1.0 2.0
   84    86    78    76   4.00000 -1.0 2.0
   78    85    84    66   1.10000 -1.0 2.0
END
