* LIGAND DATABASE FILE (OPLS2005)
*
001      89    90    160    236     466
    1     0 S   NP   _N1_     1    28.80556    96.08423   -25.98234
    2     1 S   H    _HN1     2     1.02798   122.36033  -111.48080
    3     1 S   H    _H1_     3     1.02944    74.52503    -9.25589
    4     1 S   H    _H2_     4     1.02824    32.74063   176.73601
    5     1 S   CT   _CA1     5     1.50108   120.46844    95.64420
    6     5 S   HC   _HA1     6     1.09571   105.18135    94.02528
    7     5 S   CO3  _C1_     7     1.53774   112.54687   -26.24331
    8     7 S   O2Z  _O11     8     1.26375   115.01075   -41.51767
    9     7 S   O2Z  _O12     9     1.26242   114.95733   137.64287
   10     5 S   CT   _CB1    10     1.53057   107.41831  -147.94826
   11    10 S   HC   HB11    11     1.09840   109.37050   -49.36159
   12    10 S   HC   HB12    12     1.09811   110.45942    67.25232
   13    10 S   CT   _CG1    13     1.52993   112.60032  -170.29339
   14    13 S   HC   HG11    14     1.09566   110.75623   -67.03541
   15    13 S   HC   HG12    15     1.09672   109.70397    52.22103
   16    13 S   C    _CD1    16     1.51748   112.00980   172.75094
   17    16 S   O    _OE1    17     1.22760   123.29391    12.88064
   18    16 S   N    _N2_    18     1.38627   111.83158  -167.34865
   19    18 S   H    _HN2    19     1.01566   119.17874    -0.75355
   20    18 S   CT1  _CA2    20     1.45998   122.39434   176.31991
   21    20 S   HC   _HA2    21     1.09733   108.51277    34.25074
   22    20 S   C    _C2_    22     1.53277   109.39571   -82.01795
   23    22 S   O    _O2_    23     1.23134   120.88852   154.12981
   24    20 S   CT   _CB2    32     1.53283   111.83939   157.40081
   25    24 S   HC   HB21    33     1.09316   109.81598    53.17793
   26    24 S   HC   HB22    34     1.09363   109.23162   172.25040
   27    22 S   N    _N3_    24     1.38238   114.35799   -33.04192
   28    27 S   H    _HN3    25     1.01440   118.91712     6.21142
   29    24 S   S    _SG2    35     1.82761   110.99468   -67.96179
   30    27 S   CT   _CA3    26     1.45389   123.80971   179.31959
   31    30 S   HC   HA31    27     1.09492   109.50161    19.48491
   32    30 S   HC   HA32    28     1.09483   107.08876   136.82827
   33    29 S   CT   _C5_    36     1.87683   102.14676   173.48543
   34    30 S   CO3  _C3_    29     1.53083   112.91626  -103.85124
   35    34 S   O2Z  _O31    30     1.26449   115.63819   -36.59923
   36    34 S   O2Z  _O32    31     1.26380   114.84940   144.13973
   37    33 S   CT   _C4_    37     1.54301   104.43942   177.49376
   38    37 S   HC   _H8_    38     1.09634   112.11130   -60.24699
   39    37 S   HC   _H9_    39     1.09529   111.63129   179.86730
   40    37 S   HC   _H10    40     1.09703   111.48584    60.73760
   41    33 S   CT   _C6_    41     1.54520   107.98949   -65.20938
   42    41 S   HC   _H11    42     1.09607   111.22886   -42.35302
   43    41 S   HC   _H12    43     1.09346   111.18062    78.38448
   44    33 S   CT   _C7_    46     1.55923   110.07922    58.16079
   45    44 S   HC   _H3_    47     1.09487   110.49080   -62.43220
   46    41 S   OH   _O33    44     1.42276   111.78744  -161.27786
   47    46 S   HO   _H13    45     0.97241   107.27828  -176.83121
   48    44 S   CT   _C8_    48     1.53264   115.60379   175.25187
   49    48 S   HC   _H14    49     1.09061   111.80516    53.27489
   50    48 S   HC   _H15    50     1.09384   111.03526   -69.70347
   51    44 S   OH   _O45    88     1.43601   109.88134    54.90579
   52    51 S   HO   _H24    89     0.97258   107.15775   -52.84440
   53    48 S   OS   _O34    51     1.42898   108.37752   171.19966
   54    53 S   P2   _P1_    52     1.63532   119.07013   168.62454
   55    54 S   O2Z  _O36    53     1.51304   107.54963   174.41458
   56    54 S   O2Z  _O35    54     1.51242   108.92673   -52.98483
   57    54 S   OS   _O37    55     1.62589    99.15607    61.32100
   58    57 S   P2   _P2_    56     1.62684   130.88289  -171.52896
   59    58 S   O2Z  _O39    57     1.51284   109.57557   -56.86133
   60    58 S   O2Z  _O38    58     1.51242   108.91702    77.44291
   61    58 S   OS   _O40    59     1.63597    98.76848  -170.25428
   62    61 S   CT   _C9_    60     1.42509   118.68461    65.98288
   63    62 S   HC   _H16    61     1.09469   109.69967   -13.41208
   64    62 S   HC   _H17    62     1.09416   107.74487   104.85407
   65    62 S   CT   _C10    63     1.52101   108.81641  -134.92038
   66    65 S   HC   _H4_    64     1.09743   110.08686   -48.86127
   67    65 S   CT   _C11    65     1.52596   115.16051  -174.08905
   68    67 S   HC   _H5_    66     1.09423   113.08208    83.14888
   69    67 S   CT   _C12    67     1.51667   100.94315  -156.39641
   70    69 S   HC   _H6_    68     1.09789   108.28460   -78.78039
   71    67 S   OH   _O44    86     1.42219   112.43164   -39.26993
   72    71 S   HO   _H23    87     0.97231   107.94329    72.36540
   73    69 S   CO   _C13    69     1.53316   103.49012    35.78653
   74    73 S   HC   _H7_    70     1.09658   108.92443  -139.31564
   75    69 S   OH   _O43    84     1.41219   114.16101   161.14644
   76    75 S   HO   _H22    85     0.97210   107.72565    45.87818
   77    73 S   N*   _N4_    71     1.47045   115.51187    99.82278
   78    65 S   OS   _O41    83     1.44611   109.24658    66.80249
   79    77 S   CNA  _C14    72     1.37799   121.09697   -94.44191
   80    79 S   HC   _H18    73     1.08305   117.97241    -0.41069
   81    79 S   CM   _C15    74     1.33155   122.07645  -179.81762
   82    81 S   HC   _H19    75     1.08151   122.95718   179.30790
   83    81 S   CDX  _C16    76     1.48159   116.38834     0.06256
   84    83 S   NNC  _N5_    77     1.30412   121.82568    -0.91621
   85    83 S   NND  _N6_    80     1.37226   118.60432   178.75793
   86    85 S   H    _H20    81     1.01346   122.37061    -0.43069
   87    85 S   H    _H21    82     1.01550   120.18972  -177.38581
   88    77 S   C    _C17    78     1.40972   118.63220    84.84294
   89    88 S   O    _O42    79     1.23263   121.46029     0.60490
  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  13   5   4   3
  17   2   1   1  11   4   3   2   8   4   3   9   6   1   1   9
   4   3   2   1   5   7   3   2   5   7   3   2   7  10   5   4
  12   6  11   7  11   7   4   1  11   5   3   1   9   2   8   4
   7   3   6   5   3   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    41    44    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    40    41    42    43    46    44    45    48    51  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    43    46    47    44    45    48    49    50    53    51    52  
   35    36  
   36  
    0  
   38    39    40    41    42    43    46    44    45    48    51  
   39    40    41    44  
   40    41    44  
   41    44  
   42    43    46    47    44    45    48    51  
   43    46    47    44  
   46    47    44  
   45    48    49    50    53    54    51    52    46  
   48    49    50    53    51    52  
   47  
    0  
   49    50    53    54    55    56    57    51    52  
   50    53    54    51  
   53    54    51  
   52    53  
    0  
   54    55    56    57    58  
   55    56    57    58    59    60    61  
   56    57    58  
   57    58  
   58    59    60    61    62  
   59    60    61    62    63    64    65  
   60    61    62  
   61    62  
   62    63    64    65    66    67    78  
   63    64    65    66    67    68    69    73    78    71  
   64    65    66    67    78  
   65    66    67    78  
   66    67    68    69    70    73    74    77    78    75    71    72  
   67    68    69    73    78    71  
   68    69    70    73    74    77    78    75    76    71    72  
   69    70    73    78    75    71    72  
   70    73    74    77    79    88    78    75    76    71    72  
   73    74    77    78    75    76    71  
   72    73    75    78  
    0  
   74    77    79    80    81    84    88    89    78    75    76  
   77    79    88    78    75  
   76    77    78  
    0  
   79    80    81    82    83    84    88    89    78  
   79    88  
   80    81    82    83    84    88    89    85  
   81    82    83    88  
   82    83    84    88    85    86    87  
   83    84    85  
   84    88    89    85    86    87  
   88    89    85    86    87  
   86    87    88  
   87  
    0  
   89  
    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   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   2.8500   0.1400  -0.610000   1.5900   1.4000   0.020110767  -0.896042159
   54   3.7400   0.2000   1.361100   2.1070   1.8700   0.005000000   0.000000000
   55   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   56   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   57   2.8500   0.1400  -0.022200   1.5900   1.4000   0.020110767  -0.896042159
   58   3.7400   0.2000   1.361100   2.1070   1.8700   0.005000000   0.000000000
   59   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   60   2.9800   0.2000  -0.970000   1.6890   1.4900   0.001000000  -0.126889456
   61   2.8500   0.1400  -0.610000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5000   0.0660   0.480000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0500   0.100000   1.3810   1.2100   0.008598240   0.268726247
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   77   3.2500   0.1700  -0.560000   1.8100   1.6000   0.054801302  -1.445846770
   78   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   79   3.5000   0.0800   0.100000   2.0020   1.7750   0.023028004  -0.852763146
   80   2.5000   0.0500   0.100000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0800  -0.060000   2.0020   1.7750   0.023028004  -0.852763146
   82   2.5000   0.0500   0.100000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0800   0.460000   2.0020   1.7750   0.023028004  -0.852763146
   84   3.2500   0.1700  -0.540000   1.8375   1.6250   0.005000000   0.000000000
   85   3.2500   0.1700  -0.790000   1.8650   1.6500   0.051222218  -2.220205820
   86   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
   87   0.5000   0.0300   0.370000   0.9960   0.8600   0.030040813  -0.651083722
   88   3.7500   0.1050   0.550000   1.9250   1.7000   0.001000000  -0.126889456
   89   2.9600   0.2100  -0.480000   1.5250   1.4250   0.001000000  -1.480495490
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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    41   268.000  1.529
   33    44   268.000  1.529
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    40   340.000  1.090
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    46   320.000  1.410
   46    47   553.000  0.945
   44    45   340.000  1.090
   44    48   268.000  1.529
   44    51   320.000  1.410
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    53   320.000  1.410
   53    54   230.000  1.697
   54    55   525.000  1.480
   54    56   525.000  1.480
   54    57   230.000  1.697
   57    58   230.000  1.697
   58    59   525.000  1.480
   58    60   525.000  1.480
   58    61   230.000  1.697
   61    62   320.000  1.410
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   268.000  1.529
   65    66   340.000  1.090
   65    67   268.000  1.529
   65    78   320.000  1.410
   67    68   340.000  1.090
   67    69   268.000  1.529
   67    71   320.000  1.410
   69    70   340.000  1.090
   69    73   250.000  1.527
   69    75   320.000  1.410
   73    74   340.000  1.090
   73    77   275.000  1.479
   73    78   320.000  1.380
   77    79   448.000  1.365
   77    88   418.000  1.388
   79    80   367.000  1.080
   79    81   549.000  1.340
   81    82   340.000  1.080
   81    83   427.000  1.433
   83    84   585.000  1.311
   83    85   481.000  1.340
   84    88   457.000  1.358
   88    89   570.000  1.229
   85    86   434.000  1.010
   85    87   434.000  1.010
   75    76   553.000  0.945
   71    72   553.000  0.945
   51    52   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  111.63000
   29    33    41    75.00000  111.63000
   29    33    44    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    39    37.50000  110.70000
   33    37    40    37.50000  110.70000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    46    50.00000  109.50000
   33    44    45    37.50000  110.70000
   33    44    48    58.35000  112.70000
   33    44    51    50.00000  109.50000
   39    37    38    33.00000  107.80000
   40    37    38    33.00000  107.80000
   40    37    39    33.00000  107.80000
   41    33    37    58.35000  112.70000
   41    46    47    55.00000  108.50000
   43    41    42    33.00000  107.80000
   46    41    42    35.00000  109.50000
   46    41    43    35.00000  109.50000
   44    33    37    58.35000  112.70000
   44    33    41    58.35000  112.70000
   44    48    49    37.50000  110.70000
   44    48    50    37.50000  110.70000
   44    48    53    50.00000  109.50000
   44    51    52    55.00000  108.50000
   48    44    45    37.50000  110.70000
   48    53    54   100.00000  120.50000
   50    48    49    33.00000  107.80000
   53    48    49    35.00000  109.50000
   53    48    50    35.00000  109.50000
   53    54    55   100.00000  108.23000
   53    54    56   100.00000  108.23000
   53    54    57    45.00000  102.60000
   54    57    58    50.00000  132.62000
   56    54    55   140.00000  119.90000
   57    54    55   100.00000  108.23000
   57    54    56   100.00000  108.23000
   57    58    59   100.00000  108.23000
   57    58    60   100.00000  108.23000
   57    58    61    45.00000  102.60000
   58    61    62   100.00000  120.50000
   60    58    59   140.00000  119.90000
   61    58    59   100.00000  108.23000
   61    58    60   100.00000  108.23000
   61    62    63    35.00000  109.50000
   61    62    64    35.00000  109.50000
   61    62    65    50.00000  109.50000
   62    65    66    37.50000  110.70000
   62    65    67    58.35000  112.70000
   62    65    78    50.00000  109.50000
   64    62    63    33.00000  107.80000
   65    62    63    37.50000  110.70000
   65    62    64    37.50000  110.70000
   65    67    68    37.50000  110.70000
   65    67    69    58.35000  112.70000
   65    67    71    50.00000  109.50000
   65    78    73    60.00000  109.50000
   67    65    66    37.50000  110.70000
   67    69    70    37.50000  110.70000
   67    69    73    75.00000  109.43000
   67    69    75    50.00000  109.50000
   67    71    72    55.00000  108.50000
   69    67    68    37.50000  110.70000
   69    73    74    45.00000  112.01100
   69    73    77    75.00000  107.44000
   69    73    78    90.00000  108.56700
   69    75    76    55.00000  108.50000
   73    69    70    45.00000  108.72000
   73    77    79    70.00000  121.20000
   73    77    88    70.00000  117.60000
   77    73    74    55.00000  103.44000
   77    79    80    35.00000  119.10000
   77    79    81    70.00000  121.20000
   77    88    84    70.00000  118.60000
   77    88    89    80.00000  120.60000
   79    81    82    35.00000  120.00000
   79    81    83    85.00000  117.00000
   81    79    80    35.00000  119.70000
   81    83    84    70.00000  121.02800
   81    83    85    70.00000  120.10000
   83    81    82    35.00000  123.30000
   83    84    88    70.00000  123.15400
   83    85    86    35.00000  120.00000
   83    85    87    35.00000  120.00000
   84    88    89    80.00000  122.50000
   88    77    79    70.00000  121.60000
   85    83    84    70.00000  119.30000
   87    85    86    35.00000  120.00000
   78    65    66    35.00000  109.50000
   78    65    67    50.00000  109.50000
   78    73    74    35.00000  109.50000
   78    73    77   105.00000  106.22000
   75    69    70    35.00000  109.50000
   75    69    73    90.00000  111.58700
   71    67    68    35.00000  109.50000
   71    67    69    50.00000  109.50000
   51    44    45    35.00000  109.50000
   51    44    48    50.00000  109.50000
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   24    29    33    44   0.01700  1.0 1.0
   24    29    33    44  -0.23550 -1.0 2.0
   24    29    33    44   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    37    38   0.15000  1.0 3.0
   29    33    37    39   0.15000  1.0 3.0
   29    33    37    40   0.15000  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    46   0.56750  1.0 1.0
   29    33    41    46  -0.07550 -1.0 2.0
   29    33    41    46   0.20000  1.0 3.0
   29    33    44    45   0.15000  1.0 3.0
   29    33    44    48   0.44750  1.0 1.0
   29    33    44    48  -0.17800 -1.0 2.0
   29    33    44    48   0.20200  1.0 3.0
   29    33    44    51   0.56750  1.0 1.0
   29    33    44    51  -0.07550 -1.0 2.0
   29    33    44    51   0.20000  1.0 3.0
   33    41    46    47  -0.11600  1.0 1.0
   33    41    46    47  -0.09450 -1.0 2.0
   33    41    46    47   0.21250  1.0 3.0
   33    44    48    49   0.15000  1.0 3.0
   33    44    48    50   0.15000  1.0 3.0
   33    44    48    53   0.62750  1.0 1.0
   33    44    48    53  -0.30950 -1.0 2.0
   33    44    48    53   0.27300  1.0 3.0
   33    44    51    52  -0.11600  1.0 1.0
   33    44    51    52  -0.09450 -1.0 2.0
   33    44    51    52   0.21250  1.0 3.0
   37    33    41    42   0.15000  1.0 3.0
   37    33    41    43   0.15000  1.0 3.0
   37    33    41    46   0.86500  1.0 1.0
   37    33    41    46  -0.17500 -1.0 2.0
   37    33    41    46   0.20800  1.0 3.0
   37    33    44    45   0.15000  1.0 3.0
   37    33    44    48   0.56750  1.0 1.0
   37    33    44    48  -0.07550 -1.0 2.0
   37    33    44    48   0.20000  1.0 3.0
   37    33    44    51   0.86500  1.0 1.0
   37    33    44    51  -0.17500 -1.0 2.0
   37    33    44    51   0.20800  1.0 3.0
   41    33    37    38   0.15000  1.0 3.0
   41    33    37    39   0.15000  1.0 3.0
   41    33    37    40   0.15000  1.0 3.0
   41    33    44    45   0.15000  1.0 3.0
   41    33    44    48   0.56750  1.0 1.0
   41    33    44    48  -0.07550 -1.0 2.0
   41    33    44    48   0.20000  1.0 3.0
   41    33    44    51   0.86500  1.0 1.0
   41    33    44    51  -0.17500 -1.0 2.0
   41    33    44    51   0.20800  1.0 3.0
   42    41    46    47   0.19450  1.0 3.0
   43    41    46    47   0.19450  1.0 3.0
   44    33    37    38   0.15000  1.0 3.0
   44    33    37    39   0.15000  1.0 3.0
   44    33    37    40   0.15000  1.0 3.0
   44    33    41    42   0.15000  1.0 3.0
   44    33    41    43   0.15000  1.0 3.0
   44    33    41    46   0.86500  1.0 1.0
   44    33    41    46  -0.17500 -1.0 2.0
   44    33    41    46   0.20800  1.0 3.0
   44    48    53    54  -2.65550  1.0 1.0
   44    48    53    54  -0.22350 -1.0 2.0
   44    48    53    54   0.24150  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   45    44    48    50   0.15000  1.0 3.0
   45    44    48    53   0.23400  1.0 3.0
   45    44    51    52   0.19450  1.0 3.0
   48    44    51    52  -0.11600  1.0 1.0
   48    44    51    52  -0.09450 -1.0 2.0
   48    44    51    52   0.21250  1.0 3.0
   48    53    54    55   0.00000  1.0 1.0
   48    53    54    56   0.00000  1.0 1.0
   48    53    54    57   0.05050  1.0 1.0
   48    53    54    57  -1.30700 -1.0 2.0
   48    53    54    57   0.91550  1.0 3.0
   49    48    53    54   0.03000  1.0 3.0
   50    48    53    54   0.03000  1.0 3.0
   53    54    57    58   0.15000  1.0 3.0
   54    57    58    59   0.50000  1.0 3.0
   54    57    58    60   0.50000  1.0 3.0
   54    57    58    61   0.15000  1.0 3.0
   55    54    57    58   0.50000  1.0 3.0
   56    54    57    58   0.50000  1.0 3.0
   57    58    61    62   0.05050  1.0 1.0
   57    58    61    62  -1.30700 -1.0 2.0
   57    58    61    62   0.91550  1.0 3.0
   58    61    62    63   0.03000  1.0 3.0
   58    61    62    64   0.03000  1.0 3.0
   58    61    62    65  -2.65550  1.0 1.0
   58    61    62    65  -0.22350 -1.0 2.0
   58    61    62    65   0.24150  1.0 3.0
   59    58    61    62   0.00000  1.0 1.0
   60    58    61    62   0.00000  1.0 1.0
   61    62    65    66   0.23400  1.0 3.0
   61    62    65    67   0.62750  1.0 1.0
   61    62    65    67  -0.30950 -1.0 2.0
   61    62    65    67   0.27300  1.0 3.0
   61    62    65    78   1.11900  1.0 1.0
   61    62    65    78  -1.16350 -1.0 2.0
   61    62    65    78  -0.34150  1.0 3.0
   62    65    67    68   0.15000  1.0 3.0
   62    65    67    69   0.56750  1.0 1.0
   62    65    67    69  -0.07550 -1.0 2.0
   62    65    67    69   0.20000  1.0 3.0
   62    65    67    71   0.86500  1.0 1.0
   62    65    67    71  -0.17500 -1.0 2.0
   62    65    67    71   0.20800  1.0 3.0
   62    65    78    73   0.06250  1.0 1.0
   62    65    78    73  -0.01100 -1.0 2.0
   62    65    78    73   0.28050  1.0 3.0
   63    62    65    66   0.15000  1.0 3.0
   63    62    65    67   0.15000  1.0 3.0
   63    62    65    78   0.23400  1.0 3.0
   64    62    65    66   0.15000  1.0 3.0
   64    62    65    67   0.15000  1.0 3.0
   64    62    65    78   0.23400  1.0 3.0
   65    67    69    70   0.15000  1.0 3.0
   65    67   -69    73   3.97050  1.0 1.0
   65    67    69    75   0.86500  1.0 1.0
   65    67    69    75  -0.17500 -1.0 2.0
   65    67    69    75   0.20800  1.0 3.0
   65    67    71    72  -0.11600  1.0 1.0
   65    67    71    72  -0.09450 -1.0 2.0
   65    67    71    72   0.21250  1.0 3.0
   66    65    67    68   0.15000  1.0 3.0
   66    65    67    69   0.15000  1.0 3.0
   66    65    67    71   0.23400  1.0 3.0
   66    65    78    73   0.37050  1.0 3.0
   67    65   -78    73   0.06250  1.0 1.0
   67    65   -78    73  -0.01100 -1.0 2.0
   67    65   -78    73   0.28050  1.0 3.0
   67    69    73    74   0.15000  1.0 3.0
   67    69    73    77  -0.27100  1.0 1.0
   67    69    73    77  -0.01700 -1.0 2.0
   67    69    73    77  -0.48600  1.0 3.0
   67    69   -73    78   0.62750  1.0 1.0
   67    69   -73    78  -0.30950 -1.0 2.0
   67    69   -73    78   0.27300  1.0 3.0
   67    69    75    76  -0.11600  1.0 1.0
   67    69    75    76  -0.09450 -1.0 2.0
   67    69    75    76   0.21250  1.0 3.0
   68    67    69    70   0.15000  1.0 3.0
   68    67    69    73   0.15000  1.0 3.0
   68    67    69    75   0.23400  1.0 3.0
   68    67    71    72   0.19450  1.0 3.0
   69    67    71    72  -0.11600  1.0 1.0
   69    67    71    72  -0.09450 -1.0 2.0
   69    67    71    72   0.21250  1.0 3.0
   69    73    77    79   2.08450  1.0 1.0
   69    73    77    79  -0.39300 -1.0 2.0
   69    73    77    79   0.23400  1.0 3.0
   69    73    77    88  -0.43950  1.0 1.0
   69    73    77    88  -0.08100 -1.0 2.0
   69    73    77    88   0.03350  1.0 3.0
   69    73   -78    65   0.06250  1.0 1.0
   69    73   -78    65  -0.01100 -1.0 2.0
   69    73   -78    65   0.28050  1.0 3.0
   70    69    73    74   0.15000  1.0 3.0
   70    69    73    77   0.15000  1.0 3.0
   70    69    73    78   0.23400  1.0 3.0
   70    69    75    76   0.19450  1.0 3.0
   73    69    75    76  -0.11600  1.0 1.0
   73    69    75    76  -0.09450 -1.0 2.0
   73    69    75    76   0.21250  1.0 3.0
   73    77    79    80   1.88100 -1.0 2.0
   73    77    79    81  -0.88150  1.0 1.0
   73    77    79    81   2.95600 -1.0 2.0
   73    77    88    84   3.62500 -1.0 2.0
   73    77    88    89   3.04450 -1.0 2.0
   74    73    77    79   0.00000  1.0 1.0
   74    73    77    88   0.00000  1.0 1.0
   74    73    78    65   0.37050  1.0 3.0
   77    73    78    65  -2.37750  1.0 1.0
   77    73    78    65  -0.08150 -1.0 2.0
   77    73    78    65   0.59000  1.0 3.0
   77    79    81    82   0.97550 -1.0 2.0
   77    79    81    83   7.00000 -1.0 2.0
   79    77    88    84   3.62500 -1.0 2.0
   79    77    88    89   2.67200 -1.0 2.0
   79    81   -83    84   7.00000 -1.0 2.0
   79    81    83    85   7.00000 -1.0 2.0
   80    79    81    82   7.00000 -1.0 2.0
   80    79    81    83   7.00000 -1.0 2.0
   81    83    84    88   3.62500 -1.0 2.0
   81    83    85    86   0.70000 -1.0 2.0
   81    83    85    87   0.70000 -1.0 2.0
   82    81    83    84   7.00000 -1.0 2.0
   82    81    83    85   7.00000 -1.0 2.0
   83    84   -88    77   3.62500 -1.0 2.0
   83    84    88    89   3.04450 -1.0 2.0
   84    83    85    86   0.70000 -1.0 2.0
   84    83    85    87   0.70000 -1.0 2.0
   88    77    79    80   1.44600  1.0 1.0
   88    77   -79    81  -0.18900  1.0 1.0
   88    77   -79    81   1.70900 -1.0 2.0
   85    83    84    88   3.62500 -1.0 2.0
   78    65    67    68   0.23400  1.0 3.0
   78    65   -67    69   0.62750  1.0 1.0
   78    65   -67    69  -0.30950 -1.0 2.0
   78    65   -67    69   0.27300  1.0 3.0
   78    65    67    71   3.69350  1.0 1.0
   78    65    67    71  -1.82950 -1.0 2.0
   78    73    77    79  -0.28000  1.0 1.0
   78    73    77    79  -1.16550 -1.0 2.0
   78    73    77    88  -2.75650  1.0 1.0
   78    73    77    88  -1.18150 -1.0 2.0
   78    73    77    88   0.81900  1.0 3.0
   75    69    73    74   0.23400  1.0 3.0
   75    69    73    77   2.76900  1.0 1.0
   75    69    73    77  -0.24350 -1.0 2.0
   75    69    73    77  -0.78250  1.0 3.0
   75    69    73    78   3.69350  1.0 1.0
   75    69    73    78  -1.82950 -1.0 2.0
   71    67    69    70   0.23400  1.0 3.0
   71    67    69    73   0.86500  1.0 1.0
   71    67    69    73  -0.17500 -1.0 2.0
   71    67    69    73   0.20800  1.0 3.0
   71    67    69    75   3.75450  1.0 1.0
   51    44    48    49   0.23400  1.0 3.0
   51    44    48    50   0.23400  1.0 3.0
   51    44    48    53   3.69350  1.0 1.0
   51    44    48    53  -1.82950 -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
   35    30    34    36  10.50000 -1.0 2.0
   79    88    77    73   1.00000 -1.0 2.0
   77    80    79    81   1.10000 -1.0 2.0
   83    82    81    79   1.10000 -1.0 2.0
   85    81    83    84  10.50000 -1.0 2.0
   77    84    88    89  10.50000 -1.0 2.0
   87    83    85    86   1.00000 -1.0 2.0
END
