* LIGAND DATABASE FILE (OPLS2005)
*
001      91    95    173    268     499
    1     0 S   NP   _N1_     1    30.83200    98.66342   -14.18429
    2     1 S   H    _HN1     2     1.02798    50.10823   -99.73308
    3     1 S   H    _H1_     3     1.02956    80.59555    23.72190
    4     1 S   H    _H2_     4     1.02836    77.45418   133.77604
    5     1 S   CT   _CA1     5     1.50019   162.14113  -106.33360
    6     5 S   HC   _HA1     6     1.09587   105.27854   -55.98560
    7     5 S   CO3  _C1_     7     1.53591   112.59234  -176.13639
    8     7 S   O2Z  _O11     8     1.26380   115.43261   -46.66208
    9     7 S   O2Z  _O12     9     1.26241   114.97160   132.90720
   10     5 S   CT   _CB1    10     1.53039   107.47666    61.69980
   11    10 S   HC   HB11    11     1.09821   109.23099   -54.63574
   12    10 S   HC   HB12    12     1.09748   110.31802    61.63434
   13    10 S   CT   _CG1    13     1.52986   112.70235  -175.87502
   14    13 S   HC   HG11    14     1.09615   110.39837   -62.77075
   15    13 S   HC   HG12    15     1.09643   110.04200    56.42345
   16    13 S   C    _CD1    16     1.51721   112.43909   176.81974
   17    16 S   O    _OE1    17     1.22700   123.32305    -6.13392
   18    16 S   N    _N2_    18     1.38675   111.52232   174.28440
   19    18 S   H    _HN2    19     1.01580   119.07901     1.78893
   20    18 S   CT1  _CA2    20     1.45957   123.29303   179.82983
   21    20 S   HC   _HA2    21     1.09736   109.32069    -7.71668
   22    20 S   C    _C2_    22     1.53512   108.29609  -123.14077
   23    22 S   O    _O2_    23     1.23022   122.22166  -145.58981
   24    20 S   CT   _CB2    32     1.53339   112.00109   114.30166
   25    24 S   HC   HB21    33     1.09534   111.02542    59.00541
   26    24 S   HC   HB22    34     1.09579   109.55988   176.43092
   27    22 S   N    _N3_    24     1.38506   113.44945    41.69830
   28    27 S   H    _HN3    25     1.01512   118.95427    -0.47724
   29    24 S   S    _SG2    35     1.82861   112.84294   -65.58587
   30    27 S   CT   _CA3    26     1.45455   123.49842   175.29181
   31    30 S   HC   HA31    27     1.09518   109.33385    22.76093
   32    30 S   HC   HA32    28     1.09500   107.10173   139.76724
   33    29 S   CT   _C22    36     1.84508   100.11745   100.52660
   34    33 S   HC   _H7_    37     1.09449   107.65762   -55.43942
   35    30 S   CO3  _C3_    29     1.52912   113.02603  -100.78950
   36    35 S   O2Z  _O31    30     1.26408   115.36178   -45.80529
   37    35 S   O2Z  _O32    31     1.26348   115.01504   135.11930
   38    33 S   CT   _C21    38     1.54518   109.51261  -176.28332
   39    38 S   HC   _H6_    39     1.10074   107.24191   -53.77221
   40    38 S   CT   _C20    40     1.54829   112.12621  -170.66439
   41    40 S   HC   _H5_    41     1.09997   108.13635   167.42825
   42    38 S   CO4  _C23    85     1.52062   112.60789    64.54178
   43    42 S   O    _O34    86     1.22342   124.60671    30.34380
   44    40 S   CT   _C19    42     1.53783   113.52565   -73.84281
   45    44 S   HC   _H18    43     1.09639   110.67119    39.03357
   46    44 S   HC   _H19    44     1.09747   108.58613   -77.38332
   47    40 S   CT   _C6_    56     1.53243   109.13499    49.98243
   48    47 S   HC   _H4_    57     1.10022   107.13675    61.25671
   49    42 S   OS   _O35    87     1.36454   109.64063  -151.36130
   50    44 S   CA   _C18    45     1.50537   115.56131   160.63251
   51    47 S   CT   _C5_    58     1.53937   110.19394   -54.85475
   52    51 S   HC   _H3_    59     1.09610   112.07952   -59.26376
   53    49 S   CT   _C24    88     1.43046   115.11430  -178.98741
   54    53 S   HC   _H20    89     1.09325   108.11263  -179.61437
   55    53 S   HC   _H21    90     1.09429   110.25616    61.70169
   56    53 S   HC   _H22    91     1.09427   110.30997   -60.89831
   57    50 S   C56A _C17    46     1.40280   122.01922   171.05214
   58    33 S   OS   _O33    60     1.43057   108.88739    62.57391
   59    51 S   CT   _C4_    61     1.52493   113.16318   178.33834
   60    59 S   HC   _H8_    62     1.09551   111.02711   -53.71041
   61    59 S   HC   _H9_    63     1.09586   110.28721  -171.62764
   62    59 S   HC   _H10    64     1.09332   111.86896    68.16009
   63    57 S   C56B _C10    47     1.39021   123.33947   176.60010
   64    57 S   NA   _N5_    73     1.37770   130.10647    -3.06567
   65    64 S   H    _H17    74     1.01225   124.80864     0.35443
   66    63 S   CA   _C9_    48     1.39734   118.10859    -0.20842
   67    66 S   HA   _H14    49     1.08508   121.68742   179.80820
   68    63 S   C56B _C11    65     1.43064   107.92665   179.91153
   69    66 S   CA   _C8_    50     1.38613   117.67581     0.35991
   70    69 S   HA   _H13    51     1.08554   120.53535   178.67588
   71    68 S   CA   _C12    66     1.41144   134.14434  -179.90721
   72    71 S   HA   _H15    67     1.08450   118.36670     0.16786
   73    50 S   NAP  _N4_    52     1.35661   121.75096   -12.71253
   74    71 S   CA   _C13    68     1.40491   119.68554  -179.77971
   75    73 S   CT   _C7_    53     1.48176   121.28652     8.29342
   76    75 S   HC   _H11    54     1.09423   108.88867  -153.89795
   77    75 S   HC   _H12    55     1.09793   105.02052    91.07900
   78    74 S   CA   _C14    69     1.40793   120.27397     0.07133
   79    74 S   OS   _O37    80     1.37566   124.09747  -180.00000
   80    78 S   CA   _C15    70     1.40271   120.54161    -0.15323
   81    80 S   HA   _H16    71     1.08388   122.78250   179.92087
   82    78 S   OS   _O36    75     1.37643   115.54501   179.88809
   83    79 S   CT   _C26    81     1.42204   117.41253    -0.14402
   84    83 S   HC   _H26    82     1.09430   107.73267  -179.92598
   85    83 S   HC   _H27    83     1.09493   111.14707    62.38254
   86    83 S   HC   _H28    84     1.09493   111.15185   -62.23131
   87    68 S   C56A _C16    72     1.38918   107.23958     0.23573
   88    82 S   CT   _C25    76     1.42227   117.31588  -178.61916
   89    88 S   HC   _H23    77     1.09430   107.72688   179.16961
   90    88 S   HC   _H24    78     1.09501   111.18693    61.45741
   91    88 S   HC   _H25    79     1.09492   111.12461   -63.15753
  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   8   5   4   3
  14   6   2   1   1  16   8  19   9   9   2  12   5   4  14   8
   4  13  10   6   3   2   1   1  12   5   4   2   1   1  13   9
   3   8   4   9   5   2   8   4   3  11   2   1   1  10   6   4
   2   5   3   2   1   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    58    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    51    58    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    47    51    52    58    59    42    43    49  
   38    39    40    51    58    42  
   36    37  
   37  
    0  
   39    40    41    44    45    46    50    75    47    48    51    58    42    43    49    53  
   40    41    44    47    58    42    43    49  
   41    44    45    46    50    57    73    75    76    77    47    48    51    52    58    59    42    43    49  
   44    45    46    50    75    47    48    51    42  
   43    49    53    54    55    56    44    47    58  
   49    53  
   45    46    50    57    63    69    73    75    47    48    51    64  
   46    50    57    73    47  
   50    57    73    47  
   48    51    52    58    59    60    61    62    50    69    73    75    76    77  
   51    52    58    59    73    75    76    77  
   53    54    55    56  
   57    63    66    69    70    73    75    76    77    68    87    64    65  
   52    58    59    60    61    62    73    75    76    77  
   58    59    60    61    62    75  
   54    55    56  
   55    56  
   56  
    0  
   63    66    67    69    73    75    68    71    80    87    64    65  
   59    60    61    62    75  
   60    61    62    75  
   61    62  
   62  
    0  
   66    67    69    70    73    68    71    72    74    80    87    64    65  
   65    66    68    71    73    78    80    81    87  
   68    80    87  
   67    69    70    73    75    68    71    87  
   69    70    73    68  
   71    72    74    78    80    81    87    79    69  
   70    73    75    76    77  
   73    75  
   72    74    78    80    87    82    79    83  
   74    78    87    79  
   75    76    77  
   78    80    81    87    82    88    79    83    84    85    86  
   76    77  
   77  
    0  
   80    81    87    82    88    89    90    91    79    83  
   83    84    85    86    80    82  
   81    87    82    88  
   87    82  
   88    89    90    91    87  
   84    85    86  
   85    86  
   86  
    0  
    0  
   89    90    91  
   90    91  
   91  
    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   0.318900   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.005000   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   50   3.5500   0.0700   0.007500   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   55   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   56   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   57   3.5500   0.0700  -0.023500   2.5000   1.7750   0.001000000  -0.843144165
   58   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0700  -0.015500   2.5000   1.7750   0.001000000  -0.843144165
   64   3.2500   0.1700  -0.239000   1.8650   1.6500   0.001000000  -0.511443539
   65   0.5000   0.0300   0.317000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5500   0.0700  -0.205100   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.205100   1.3810   1.2100   0.030040813   0.268726247
   68   3.5500   0.0700  -0.015500   2.5000   1.7750   0.001000000  -0.843144165
   69   3.5500   0.0700   0.007500   2.0020   1.7750   0.001000000  -0.843144165
   70   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   71   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   73   3.2500   0.1700   0.632500   1.9750   1.7500   0.001000000  -0.511443539
   74   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   75   3.5000   0.0660   0.002500   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   81   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   82   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   83   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5500   0.0700  -0.023500   2.5000   1.7750   0.001000000  -0.843144165
   88   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   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   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    58   320.000  1.410
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   317.000  1.522
   40    41   340.000  1.090
   40    44   268.000  1.529
   40    47   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    50   317.000  1.510
   50    57   469.000  1.400
   50    73   485.000  1.342
   57    63   447.000  1.419
   57    64   428.000  1.380
   63    66   469.000  1.404
   63    68   365.000  1.456
   66    67   367.000  1.080
   66    69   469.000  1.400
   69    70   367.000  1.080
   69    73   485.000  1.342
   73    75   280.000  1.457
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    47   268.000  1.529
   47    48   340.000  1.090
   47    51   268.000  1.529
   51    52   340.000  1.090
   51    58   320.000  1.410
   51    59   268.000  1.529
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   68    71   469.000  1.404
   68    87   447.000  1.419
   71    72   367.000  1.080
   71    74   469.000  1.400
   74    78   469.000  1.400
   74    79   450.000  1.364
   78    80   469.000  1.400
   78    82   450.000  1.364
   80    81   367.000  1.080
   80    87   469.000  1.400
   87    64   428.000  1.380
   64    65   434.000  1.010
   82    88   320.000  1.410
   88    89   340.000  1.090
   88    90   340.000  1.090
   88    91   340.000  1.090
   79    83   320.000  1.410
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   42    43   570.000  1.229
   42    49   214.000  1.327
   49    53   320.000  1.410
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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    58    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    63.00000  111.10000
   33    58    51    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    58.35000  112.70000
   38    40    47    58.35000  112.70000
   38    42    43    80.00000  120.40000
   38    42    49    81.00000  111.40000
   40    38    39    37.50000  110.70000
   40    44    45    37.50000  110.70000
   40    44    46    37.50000  110.70000
   40    44    50    70.00000  112.17500
   40    47    75    58.35000  112.70000
   40    47    48    37.50000  110.70000
   40    47    51    58.35000  112.70000
   44    40    41    37.50000  110.70000
   44    50    57    70.00000  120.00000
   44    50    73    70.00000  116.21300
   46    44    45    33.00000  107.80000
   50    44    45    35.00000  109.50000
   50    44    46    35.00000  109.50000
   50    57    63    85.00000  122.70000
   50    57    64    70.00000  132.80000
   50    73    69    70.00000  123.81700
   50    73    75    70.00000  119.18700
   57    63    66    85.00000  116.20000
   57    63    68    80.00000  105.47000
   57    64    87    90.00000   99.14000
   57    64    65    35.00000  123.10000
   63    66    67    35.00000  120.00000
   63    66    69    63.00000  120.00000
   63    68    71    50.00000  134.41300
   63    68    87    80.00000  105.47000
   66    69    70    35.00000  120.00000
   66    69    73    70.00000  119.29800
   69    66    67    35.00000  120.00000
   69    73    75    70.00000  119.18700
   73    50    57    70.00000  122.14000
   73    69    70    45.00000  112.84900
   73    75    76    50.00000  106.41000
   73    75    77    50.00000  106.41000
   73    75    47    75.00000  109.47200
   75    47    48    37.50000  110.70000
   75    47    51    58.35000  112.70000
   77    75    76    33.00000  107.80000
   47    40    41    37.50000  110.70000
   47    40    44    58.35000  112.70000
   47    75    76    37.50000  110.70000
   47    75    77    37.50000  110.70000
   47    51    52    37.50000  110.70000
   47    51    58    50.00000  109.50000
   47    51    59    58.35000  112.70000
   51    47    48    37.50000  110.70000
   51    59    60    37.50000  110.70000
   51    59    61    37.50000  110.70000
   51    59    62    37.50000  110.70000
   58    33    34    35.00000  109.50000
   58    33    38    50.00000  109.50000
   58    51    52    35.00000  109.50000
   59    51    52    37.50000  110.70000
   59    51    58    50.00000  109.50000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   68    63    66    50.00000  134.41300
   68    71    72    35.00000  120.00000
   68    71    74    63.00000  120.00000
   68    87    80    85.00000  122.70000
   68    87    64    70.00000  104.40000
   71    74    78    63.00000  120.00000
   71    74    79    70.00000  120.00000
   74    71    72    35.00000  120.00000
   74    78    80    63.00000  120.00000
   74    78    82    70.00000  120.00000
   74    79    83    75.00000  111.00000
   78    80    81    35.00000  120.00000
   78    80    87    85.00000  120.00000
   78    82    88    75.00000  111.00000
   80    87    64    70.00000  132.80000
   87    68    71    85.00000  116.20000
   87    80    81    35.00000  120.00000
   87    64    65    35.00000  123.10000
   64    57    63    70.00000  104.40000
   82    78    80    70.00000  120.00000
   82    88    89    35.00000  109.50000
   82    88    90    35.00000  109.50000
   82    88    91    35.00000  109.50000
   90    88    89    33.00000  107.80000
   91    88    89    33.00000  107.80000
   91    88    90    33.00000  107.80000
   79    74    78    70.00000  120.00000
   79    83    84    35.00000  109.50000
   79    83    85    35.00000  109.50000
   79    83    86    35.00000  109.50000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    63.00000  111.10000
   42    49    53    83.00000  116.90000
   49    42    43    83.00000  123.40000
   49    53    54    35.00000  109.50000
   49    53    55    35.00000  109.50000
   49    53    56    35.00000  109.50000
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    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    58   0.13850  1.0 1.0
   24    29    33    58  -1.34450 -1.0 2.0
   24    29    33    58   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    39   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    58    51   0.14700  1.0 1.0
   29    33    58    51  -1.16150 -1.0 2.0
   29    33    58    51   0.48700  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    44   0.56750  1.0 1.0
   33    38    40    44  -0.07550 -1.0 2.0
   33    38    40    44   0.20000  1.0 3.0
   33    38    40    47   0.56750  1.0 1.0
   33    38    40    47  -0.07550 -1.0 2.0
   33    38    40    47   0.20000  1.0 3.0
   33    38    42    43   0.30150 -1.0 2.0
   33    38    42    49   0.36750  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    42  -0.11250  1.0 3.0
   34    33    58    51   0.37050  1.0 3.0
   38    33    58    51   0.06250  1.0 1.0
   38    33    58    51  -0.01100 -1.0 2.0
   38    33    58    51   0.28050  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40    44    46   0.15000  1.0 3.0
   38    40    44    50  -0.03700  1.0 1.0
   38    40    44    50   0.37200 -1.0 2.0
   38    40    44    50  -0.47300  1.0 3.0
   38    40    47    75   0.56750  1.0 1.0
   38    40    47    75  -0.07550 -1.0 2.0
   38    40    47    75   0.20000  1.0 3.0
   38    40    47    48   0.15000  1.0 3.0
   38    40   -47    51   0.56750  1.0 1.0
   38    40   -47    51  -0.07550 -1.0 2.0
   38    40   -47    51   0.20000  1.0 3.0
   38    42    49    53   1.63150  1.0 1.0
   38    42    49    53   2.92000 -1.0 2.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    40    47   0.15000  1.0 3.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    49   0.00000  1.0 1.0
   40    38    42    43   0.30150 -1.0 2.0
   40    38    42    49   0.36750  1.0 3.0
   40    44    50    57   0.04150 -1.0 2.0
   40    44    50    73   0.29300  1.0 1.0
   40    44    50    73  -1.19700 -1.0 2.0
   40    44    50    73   0.60900  1.0 3.0
   40    47    51    52   0.15000  1.0 3.0
   40    47    51    58   0.62750  1.0 1.0
   40    47    51    58  -0.30950 -1.0 2.0
   40    47    51    58   0.27300  1.0 3.0
   40    47    51    59   0.56750  1.0 1.0
   40    47    51    59  -0.07550 -1.0 2.0
   40    47    51    59   0.20000  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    46   0.15000  1.0 3.0
   41    40    44    50   0.43200  1.0 3.0
   41    40    47    75   0.15000  1.0 3.0
   41    40    47    48   0.15000  1.0 3.0
   41    40    47    51   0.15000  1.0 3.0
   44    40    47    75   0.56750  1.0 1.0
   44    40    47    75  -0.07550 -1.0 2.0
   44    40    47    75   0.20000  1.0 3.0
   44    40    47    48   0.15000  1.0 3.0
   44    40    47    51   0.56750  1.0 1.0
   44    40    47    51  -0.07550 -1.0 2.0
   44    40    47    51   0.20000  1.0 3.0
   44    50    57    63   3.62500 -1.0 2.0
   44    50    57    64   3.62500 -1.0 2.0
   44    50    73    69   3.62500 -1.0 2.0
   44    50   -73    75   3.62500 -1.0 2.0
   45    44    50    57   0.00000  1.0 1.0
   45    44    50    73   0.00000  1.0 1.0
   46    44    50    57   0.00000  1.0 1.0
   46    44    50    73   0.00000  1.0 1.0
   50    57    63    66   3.00000 -1.0 2.0
   50    57    63    68   3.00000 -1.0 2.0
   50    57    64    87   3.62500 -1.0 2.0
   50    57    64    65   1.52500 -1.0 2.0
   50    73    75    76   0.00000  1.0 1.0
   50    73    75    77   0.00000  1.0 1.0
   50    73    75    47   0.00000  1.0 1.0
   57    50    73    69   3.62500 -1.0 2.0
   57    50    73    75   3.62500 -1.0 2.0
   57    63    66    67   3.50000 -1.0 2.0
   57    63   -66    69   3.50000 -1.0 2.0
   57    63    68    71   3.50000 -1.0 2.0
   57    63   -68    87   3.50000 -1.0 2.0
   63    57   -64    87   3.62500 -1.0 2.0
   63    57    64    65   1.52500 -1.0 2.0
   63    66    69    70   3.62500 -1.0 2.0
   63    66    69    73   3.62500 -1.0 2.0
   63    68    71    72   3.62500 -1.0 2.0
   63    68    71    74   3.62500 -1.0 2.0
   63    68    87    80   3.00000 -1.0 2.0
   63    68   -87    64   3.00000 -1.0 2.0
   66    63    68    71   3.62500 -1.0 2.0
   66    63    68    87   3.50000 -1.0 2.0
   66    69   -73    50   3.62500 -1.0 2.0
   66    69    73    75   3.62500 -1.0 2.0
   67    66    69    70   3.62500 -1.0 2.0
   67    66    69    73   3.62500 -1.0 2.0
   69    73    75    76   0.00000  1.0 1.0
   69    73    75    77   0.00000  1.0 1.0
   69    73    75    47   0.00000  1.0 1.0
   70    69    73    50   3.62500 -1.0 2.0
   70    69    73    75   3.62500 -1.0 2.0
   73    50   -57    63   3.62500 -1.0 2.0
   73    50    57    64   3.62500 -1.0 2.0
   73    75   -47    40   0.56750  1.0 1.0
   73    75   -47    40  -0.07550 -1.0 2.0
   73    75   -47    40   0.20000  1.0 3.0
   73    75    47    48   0.15000  1.0 3.0
   73    75    47    51   0.56750  1.0 1.0
   73    75    47    51  -0.07550 -1.0 2.0
   73    75    47    51   0.20000  1.0 3.0
   75    47    51    52   0.15000  1.0 3.0
   75    47    51    58   0.62750  1.0 1.0
   75    47    51    58  -0.30950 -1.0 2.0
   75    47    51    58   0.27300  1.0 3.0
   75    47    51    59   0.56750  1.0 1.0
   75    47    51    59  -0.07550 -1.0 2.0
   75    47    51    59   0.20000  1.0 3.0
   76    75    47    40   0.15000  1.0 3.0
   76    75    47    48   0.15000  1.0 3.0
   76    75    47    51   0.15000  1.0 3.0
   77    75    47    40   0.15000  1.0 3.0
   77    75    47    48   0.15000  1.0 3.0
   77    75    47    51   0.15000  1.0 3.0
   47    40    44    45   0.15000  1.0 3.0
   47    40    44    46   0.15000  1.0 3.0
   47    40   -44    50  -0.03700  1.0 1.0
   47    40   -44    50   0.37200 -1.0 2.0
   47    40   -44    50  -0.47300  1.0 3.0
   47    51   -58    33   0.06250  1.0 1.0
   47    51   -58    33  -0.01100 -1.0 2.0
   47    51   -58    33   0.28050  1.0 3.0
   47    51    59    60   0.15000  1.0 3.0
   47    51    59    61   0.15000  1.0 3.0
   47    51    59    62   0.15000  1.0 3.0
   48    47    51    52   0.15000  1.0 3.0
   48    47    51    58   0.23400  1.0 3.0
   48    47    51    59   0.15000  1.0 3.0
   52    51    58    33   0.37050  1.0 3.0
   52    51    59    60   0.15000  1.0 3.0
   52    51    59    61   0.15000  1.0 3.0
   52    51    59    62   0.15000  1.0 3.0
   58    33    38    39   0.23400  1.0 3.0
   58    33   -38    40   0.62750  1.0 1.0
   58    33   -38    40  -0.30950 -1.0 2.0
   58    33   -38    40   0.27300  1.0 3.0
   58    33    38    42  -0.09450  1.0 1.0
   58    33    38    42  -1.12950 -1.0 2.0
   58    33    38    42   0.54000  1.0 3.0
   58    51    59    60   0.23400  1.0 3.0
   58    51    59    61   0.23400  1.0 3.0
   58    51    59    62   0.23400  1.0 3.0
   59    51    58    33   0.06250  1.0 1.0
   59    51    58    33  -0.01100 -1.0 2.0
   59    51    58    33   0.28050  1.0 3.0
   68    63    66    67   3.62500 -1.0 2.0
   68    63    66    69   3.62500 -1.0 2.0
   68    71    74    78   3.62500 -1.0 2.0
   68    71    74    79   3.62500 -1.0 2.0
   68    87   -64    57   3.62500 -1.0 2.0
   68    87    64    65   1.52500 -1.0 2.0
   71    68    87    80   3.00000 -1.0 2.0
   71    68    87    64   3.00000 -1.0 2.0
   71    74   -78    80   3.62500 -1.0 2.0
   71    74    78    82   3.62500 -1.0 2.0
   71    74    79    83   1.63200 -1.0 2.0
   72    71    74    78   3.62500 -1.0 2.0
   72    71    74    79   3.62500 -1.0 2.0
   74    78    80    81   3.62500 -1.0 2.0
   74    78    80    87   3.62500 -1.0 2.0
   74    78    82    88   1.63200 -1.0 2.0
   74    79    83    84   0.08050  1.0 3.0
   74    79    83    85   0.08050  1.0 3.0
   74    79    83    86   0.08050  1.0 3.0
   78    74    79    83   1.63200 -1.0 2.0
   78    80   -87    68   3.62500 -1.0 2.0
   78    80    87    64   3.62500 -1.0 2.0
   78    82    88    89   0.08050  1.0 3.0
   78    82    88    90   0.08050  1.0 3.0
   78    82    88    91   0.08050  1.0 3.0
   80    78    82    88   1.63200 -1.0 2.0
   80    87    64    57   3.62500 -1.0 2.0
   80    87    64    65   1.52500 -1.0 2.0
   81    80    87    68   3.62500 -1.0 2.0
   81    80    87    64   3.62500 -1.0 2.0
   87    68    71    72   3.50000 -1.0 2.0
   87    68   -71    74   3.50000 -1.0 2.0
   64    57    63    66   3.00000 -1.0 2.0
   64    57   -63    68   3.00000 -1.0 2.0
   82    78    80    81   3.62500 -1.0 2.0
   82    78    80    87   3.62500 -1.0 2.0
   79    74    78    80   3.62500 -1.0 2.0
   79    74    78    82   3.62500 -1.0 2.0
   42    38    40    41  -0.11250  1.0 3.0
   42    38    40    44  -0.95700  1.0 1.0
   42    38    40    44  -0.18200 -1.0 2.0
   42    38    40    44   0.29450  1.0 3.0
   42    38    40    47  -0.95700  1.0 1.0
   42    38    40    47  -0.18200 -1.0 2.0
   42    38    40    47   0.29450  1.0 3.0
   42    49    53    54   0.08050  1.0 3.0
   42    49    53    55   0.08050  1.0 3.0
   42    49    53    56   0.08050  1.0 3.0
   43    42    49    53   3.00000 -1.0 2.0
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
   57    73    50    44   4.00000 -1.0 2.0
   63    64    57    50   4.00000 -1.0 2.0
   66    68    63    57   4.00000 -1.0 2.0
   69    67    66    63   1.10000 -1.0 2.0
   73    70    69    66   1.10000 -1.0 2.0
   69    75    73    50   4.00000 -1.0 2.0
   71    87    68    63   4.00000 -1.0 2.0
   74    72    71    68   1.10000 -1.0 2.0
   78    79    74    71   4.00000 -1.0 2.0
   80    82    78    74   4.00000 -1.0 2.0
   87    81    80    78   1.10000 -1.0 2.0
   80    64    87    68   4.00000 -1.0 2.0
   65    57    64    87   1.00000 -1.0 2.0
   38    49    42    43  10.50000 -1.0 2.0
END
