* LIGAND DATABASE FILE (OPLS2005)
*
001      90    90    162    234     468
    1     0 S   NP   _N1_     1    28.92705    94.89845   -19.32155
    2     1 S   H    _HN1     2     1.02775    78.13484   -75.07276
    3     1 S   H    _H1_     3     1.02956    95.87375    32.53441
    4     1 S   H    _H2_     4     1.02826    37.64519   142.97825
    5     1 S   CT   _CA1     5     1.50169   145.59954   172.70997
    6     5 S   HC   _HA1     6     1.09573   105.17666    40.27058
    7     5 S   CO3  _C1_     7     1.53851   112.36092   -79.84786
    8     7 S   O2Z  _O11     8     1.26371   114.96836   -40.91533
    9     7 S   O2Z  _O12     9     1.26237   114.95073   137.93248
   10     5 S   CT   _CB1    10     1.53074   107.36917   158.22190
   11    10 S   HC   HB11    11     1.09819   109.39326   -48.89570
   12    10 S   HC   HB12    12     1.09829   110.40844    67.74302
   13    10 S   CT   _CG1    13     1.52962   112.63179  -169.97422
   14    13 S   HC   HG11    14     1.09503   110.28547   -62.60140
   15    13 S   HC   HG12    15     1.09650   110.08844    56.42889
   16    13 S   C    _CD1    16     1.51852   112.27297   176.47824
   17    16 S   O    _OE1    17     1.22744   123.19035    -9.42235
   18    16 S   N    _N2_    18     1.38584   111.68275   171.50749
   19    18 S   H    _HN2    19     1.01592   119.04939     0.33455
   20    18 S   CT1  _CA2    20     1.46294   123.55243   179.64723
   21    20 S   HC   _HA2    21     1.09735   109.36702    -6.19476
   22    20 S   C    _C2_    22     1.53458   108.45379  -121.59974
   23    22 S   O    _O2_    23     1.23033   122.48096  -149.19865
   24    20 S   CT   _CB2    32     1.53383   111.27856   115.87743
   25    24 S   HC   HB21    33     1.09386   109.43680    55.71961
   26    24 S   HC   HB22    34     1.09460   110.45202   173.88253
   27    22 S   N    _N3_    24     1.38425   113.52551    38.52351
   28    27 S   H    _HN3    25     1.01626   119.42913    -3.95666
   29    24 S   S    _SG2    35     1.83343   110.89729   -67.20440
   30    27 S   CT   _CA3    26     1.45270   123.10921   176.85384
   31    30 S   HC   HA31    27     1.09554   107.56127   -62.82637
   32    30 S   HC   HA32    28     1.09559   107.89723    53.55978
   33    29 S   CT   _C14    36     1.86958   101.49059   145.47897
   34    33 S   OM   _O34    37     1.31916   108.76942   179.20722
   35    30 S   CO3  _C3_    29     1.52925   114.17895   175.51957
   36    35 S   O2Z  _O31    30     1.26360   116.08409    -0.64771
   37    35 S   O2Z  _O32    31     1.26436   114.40112   179.39769
   38    33 S   CM   _C13    38     1.53700   109.51562   -63.37944
   39    38 S   CM   _C12    39     1.35072   120.50592   127.04201
   40    38 S   CT   _C15    77     1.53075   120.02997   -51.60750
   41    40 S   HC   _H12    78     1.08965   111.59385    28.60663
   42    40 S   HC   _H13    79     1.09837   109.59838   142.62482
   43    39 S   CT   _C11    40     1.52139   124.72840     5.19350
   44    39 S   OH   _O35    75     1.38988   120.29197  -175.79560
   45    44 S   HO   _H21    76     0.97393   106.55755   167.21472
   46    40 S   CM   _C16    80     1.50585   112.60373   -97.79574
   47    46 S   HC   _H14    81     1.08906   113.93911   -65.16624
   48    43 S   CMA  _C10    41     1.55379   114.63130   -14.76585
   49    48 S   OM   _O33    42     1.26913   111.40426  -167.59418
   50    43 S   CT   _C20    59     1.56644   108.96451   111.93096
   51    50 S   HC   _H22    60     1.09604   109.50053    61.27360
   52    50 S   HC   _H23    61     1.09903   109.75787   173.49935
   53    43 S   OH   _O36    73     1.44692   104.95312  -134.48335
   54    53 S   HO   _H31    74     0.97448   106.01111   154.00102
   55    46 S   CM   _C17    82     1.34683   128.23258   115.89241
   56    33 S   CM   _C9_    43     1.52914   108.48510    61.44571
   57    50 S   CM   _C21    62     1.50803   114.82120   -65.07881
   58    57 S   HC   _H24    63     1.08968   113.98516   -67.94928
   59    55 S   CT   _C18    83     1.50548   120.27381   179.48871
   60    59 S   HC   _H15    84     1.09498   110.23803   119.80890
   61    59 S   HC   _H16    85     1.09514   112.45406    -0.23985
   62    59 S   HC   _H17    86     1.09496   110.22994  -120.35642
   63    55 S   CT   _C19    87     1.50259   125.43841    -0.98158
   64    63 S   HC   _H18    88     1.09494   110.05133   119.96488
   65    63 S   HC   _H19    89     1.09525   109.97324  -120.89976
   66    63 S   HC   _H20    90     1.09134   113.88972    -0.61992
   67    56 S   CO4  _C8_    44     1.51130   119.22221    50.81538
   68    67 S   O    _O37    45     1.23024   120.32149   -97.33496
   69    57 S   CM   _C22    64     1.34670   128.19515   112.30399
   70    67 S   CT   _C7_    46     1.52300   116.73124    81.87370
   71    70 S   HC   _H10    47     1.09705   107.50262    29.65678
   72    70 S   HC   _H11    48     1.09552   108.57485   -86.81590
   73    69 S   CT   _C23    65     1.50565   120.25828  -179.77445
   74    73 S   HC   _H25    66     1.09513   110.22080   119.08564
   75    73 S   HC   _H26    67     1.09491   110.22907  -121.09460
   76    73 S   HC   _H27    68     1.09513   112.45495    -0.96591
   77    69 S   CT   _C24    69     1.50195   125.43197    -0.58917
   78    77 S   HC   _H28    70     1.09492   109.98440   114.05718
   79    77 S   HC   _H29    71     1.09504   110.14340  -126.83875
   80    77 S   HC   _H30    72     1.09154   113.68526    -6.91055
   81    70 S   CT   _C5_    49     1.53801   112.88166   150.10556
   82    81 S   HC   _H6_    50     1.09740   109.48441   -37.60675
   83    81 S   CT   _C4_    51     1.53124   111.55214    82.22791
   84    83 S   HC   _H3_    52     1.09550   111.24018    60.62596
   85    83 S   HC   _H4_    53     1.09367   111.63982   -59.95429
   86    83 S   HC   _H5_    54     1.09540   110.61726  -179.56479
   87    81 S   CT   _C6_    55     1.53057   110.15841  -156.06489
   88    87 S   HC   _H7_    56     1.09541   111.27469   -59.92933
   89    87 S   HC   _H8_    57     1.09520   110.84973   179.76677
   90    87 S   HC   _H9_    58     1.09521   110.81219    60.33512
  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
  15   6   2   1   1  15  16  10   4   3  14   4   1  10   3  11
   4  10   5   4   3   1   8   6  10   3   7   3   2   1   3   2
   1   1   8   4   8  12   5   4   7   3   2   1   3   2   1   1
   9   8   7   3   2   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    56    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    48    56    67    40  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    48    49    56    67    68    70    44    40    41    42    46  
   38    39    48    56    67    40  
   36    37  
   37  
    0  
   39    43    48    56    67    50    53    44    45    40    41    42    46    47    55  
   43    48    49    56    50    51    52    57    53    54    44    45    40    41    42    46  
   41    42    46    47    55    59    63    43    44    56  
   42    46    47    55  
   46    47    55  
   48    49    56    67    50    51    52    57    58    69    53    54    44    45  
   45    48    50    53  
    0  
   47    55    59    60    61    62    63    64    65    66  
   55    59    63  
   49    56    67    68    70    50    51    52    57    53    54  
   56    67    50    53  
   51    52    57    58    69    73    77    53    54    56  
   52    57    58    69    53  
   57    58    69    53  
   54    56    57  
    0  
   59    60    61    62    63    64    65    66  
   67    68    70    71    72    81  
   58    69    73    74    75    76    77    78    79    80  
   69    73    77  
   60    61    62    63    64    65    66  
   61    62    63  
   62    63  
   63  
   64    65    66  
   65    66  
   66  
    0  
   68    70    71    72    81    82    83    87  
   70    71    72    81  
   73    74    75    76    77    78    79    80  
   71    72    81    82    83    84    85    86    87    88    89    90  
   72    81    82    83    87  
   81    82    83    87  
   74    75    76    77    78    79    80  
   75    76    77  
   76    77  
   77  
   78    79    80  
   79    80  
   80  
    0  
   82    83    84    85    86    87    88    89    90  
   83    84    85    86    87    88    89    90  
   84    85    86    87    88    89    90  
   85    86    87  
   86    87  
   87  
   88    89    90  
   89    90  
   90  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   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   4.2000   0.3000  -0.012500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.048800   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.0700   0.1700  -0.404000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.355200   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   49   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   68   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   69   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   87   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   88   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   89   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   90   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   570.000  1.307
   33    38   317.000  1.510
   33    56   317.000  1.510
   38    39   549.000  1.340
   38    40   317.000  1.510
   39    43   317.000  1.510
   39    44   510.000  1.338
   43    48   270.000  1.512
   43    50   268.000  1.529
   43    53   320.000  1.410
   48    49   745.000  1.250
   48    56   465.000  1.376
   56    67   320.000  1.462
   67    68   570.000  1.229
   67    70   317.000  1.522
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    81   268.000  1.529
   81    82   340.000  1.090
   81    83   268.000  1.529
   81    87   268.000  1.529
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   87    88   340.000  1.090
   87    89   340.000  1.090
   87    90   340.000  1.090
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    57   317.000  1.510
   57    58   340.000  1.080
   57    69   549.000  1.340
   69    73   317.000  1.510
   69    77   317.000  1.510
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   53    54   553.000  0.945
   44    45   553.000  0.945
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    46   317.000  1.510
   46    47   340.000  1.080
   46    55   549.000  1.340
   55    59   317.000  1.510
   55    63   317.000  1.510
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   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    85.00000  114.68000
   29    33    38    75.00000  112.20000
   29    33    56    75.00000  112.20000
   33    38    39    70.00000  124.00000
   33    38    40    65.00000  117.92700
   33    56    48    70.00000  124.00000
   33    56    67    65.00000  116.34900
   38    33    34    85.00000  110.90400
   38    39    43    70.00000  124.00000
   38    39    44    80.00000  121.38400
   38    40    41    35.00000  109.50000
   38    40    42    35.00000  109.50000
   38    40    46    70.00000  110.12100
   39    43    48    70.00000  110.12100
   39    43    50    70.00000  112.02700
   39    43    53    90.00000  110.39200
   39    44    45    70.00000  107.45700
   43    48    49    85.00000  112.85300
   43    48    56    65.00000  122.18000
   43    50    51    37.50000  110.70000
   43    50    52    37.50000  110.70000
   43    50    57    70.00000  112.02700
   43    53    54    55.00000  108.50000
   48    56    67    60.00000  125.92000
   56    33    34    85.00000  110.90400
   56    33    38    70.00000  110.12100
   56    48    49    65.00000  137.10300
   56    67    68    80.00000  123.72100
   56    67    70    65.00000  118.62400
   67    70    71    35.00000  109.50000
   67    70    72    35.00000  109.50000
   67    70    81    63.00000  111.10000
   70    67    68    80.00000  120.40000
   70    81    82    37.50000  110.70000
   70    81    83    58.35000  112.70000
   70    81    87    58.35000  112.70000
   72    70    71    33.00000  107.80000
   81    70    71    37.50000  110.70000
   81    70    72    37.50000  110.70000
   81    83    84    37.50000  110.70000
   81    83    85    37.50000  110.70000
   81    83    86    37.50000  110.70000
   81    87    88    37.50000  110.70000
   81    87    89    37.50000  110.70000
   81    87    90    37.50000  110.70000
   83    81    82    37.50000  110.70000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   87    81    82    37.50000  110.70000
   87    81    83    58.35000  112.70000
   89    87    88    33.00000  107.80000
   90    87    88    33.00000  107.80000
   90    87    89    33.00000  107.80000
   50    43    48    70.00000  112.02700
   50    57    58    35.00000  117.00000
   50    57    69    70.00000  124.00000
   52    50    51    33.00000  107.80000
   57    50    51    35.00000  109.50000
   57    50    52    35.00000  109.50000
   57    69    73    70.00000  124.00000
   57    69    77    70.00000  124.00000
   69    57    58    35.00000  120.00000
   69    73    74    35.00000  109.50000
   69    73    75    35.00000  109.50000
   69    73    76    35.00000  109.50000
   69    77    78    35.00000  109.50000
   69    77    79    35.00000  109.50000
   69    77    80    35.00000  109.50000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   77    69    73    65.00000  117.92700
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   53    43    48    90.00000  110.39200
   53    43    50    50.00000  109.50000
   44    39    43    90.00000  109.34000
   40    38    39    70.00000  124.00000
   40    46    47    35.00000  117.00000
   40    46    55    70.00000  124.00000
   42    40    41    33.00000  107.80000
   46    40    41    35.00000  109.50000
   46    40    42    35.00000  109.50000
   46    55    59    70.00000  124.00000
   46    55    63    70.00000  124.00000
   55    46    47    35.00000  120.00000
   55    59    60    35.00000  109.50000
   55    59    61    35.00000  109.50000
   55    59    62    35.00000  109.50000
   55    63    64    35.00000  109.50000
   55    63    65    35.00000  109.50000
   55    63    66    35.00000  109.50000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   63    55    59    65.00000  117.92700
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    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   0.13850  1.0 1.0
   24    29    33    34  -1.34450 -1.0 2.0
   24    29    33    34   0.57400  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    56  -0.62250  1.0 1.0
   24    29    33    56  -0.38450 -1.0 2.0
   24    29    33    56   0.81900  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   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    40   0.30250  1.0 1.0
   29    33    38    40  -0.14950 -1.0 2.0
   29    33    38    40   0.36900  1.0 3.0
   29    33    56    48   0.42700  1.0 1.0
   29    33    56    48  -0.70350 -1.0 2.0
   29    33    56    48  -0.43150  1.0 3.0
   29    33    56    67   0.09700  1.0 1.0
   29    33    56    67   0.15600 -1.0 2.0
   29    33    56    67  -0.50800  1.0 3.0
   33    38    39    43   7.00000 -1.0 2.0
   33    38    39    44   7.00000 -1.0 2.0
   33    38    40    41   0.34800  1.0 3.0
   33    38    40    42   0.34800  1.0 3.0
   33    38    40    46   0.09700  1.0 1.0
   33    38    40    46   0.15600 -1.0 2.0
   33    38    40    46  -0.50800  1.0 3.0
   33    56    67    68  -0.64400  1.0 1.0
   33    56    67    68   0.26850 -1.0 2.0
   33    56    67    70   0.25700  1.0 1.0
   33    56    67    70   0.66200 -1.0 2.0
   33    56    67    70   0.04450  1.0 3.0
   34    33    38    39   0.39000  1.0 1.0
   34    33    38    39  -0.05800 -1.0 2.0
   34    33    38    39  -0.55150  1.0 3.0
   34    33    38    40   0.09700  1.0 1.0
   34    33    38    40   0.15600 -1.0 2.0
   34    33    38    40  -0.50800  1.0 3.0
   34    33    56    48   0.39000  1.0 1.0
   34    33    56    48  -0.05800 -1.0 2.0
   34    33    56    48  -0.55150  1.0 3.0
   34    33    56    67   0.09700  1.0 1.0
   34    33    56    67   0.15600 -1.0 2.0
   34    33    56    67  -0.50800  1.0 3.0
   38    33    56    48  -0.28300  1.0 1.0
   38    33    56    48   0.26700 -1.0 2.0
   38    33    56    48  -0.63300  1.0 3.0
   38    33    56    67   0.09700  1.0 1.0
   38    33    56    67   0.15600 -1.0 2.0
   38    33    56    67  -0.50800  1.0 3.0
   38    39   -43    48  -0.28300  1.0 1.0
   38    39   -43    48   0.26700 -1.0 2.0
   38    39   -43    48  -0.63300  1.0 3.0
   38    39    43    50   0.09850  1.0 1.0
   38    39    43    50   0.15250 -1.0 2.0
   38    39    43    50  -0.50650  1.0 3.0
   38    39    43    53   0.67800  1.0 1.0
   38    39    43    53   0.47050 -1.0 2.0
   38    39    43    53  -0.62500  1.0 3.0
   38    39    44    45  -0.66100  1.0 1.0
   38    39    44    45   1.20850 -1.0 2.0
   38    39    44    45  -0.36000  1.0 3.0
   38    40    46    47   0.00000  1.0 1.0
   38    40    46    55  -0.28300  1.0 1.0
   38    40    46    55   0.26700 -1.0 2.0
   38    40    46    55  -0.63300  1.0 3.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    42   0.00000  1.0 1.0
   39    38    40    46  -0.28300  1.0 1.0
   39    38    40    46   0.26700 -1.0 2.0
   39    38    40    46  -0.63300  1.0 3.0
   39    43    48    49   0.09700  1.0 1.0
   39    43    48    49   0.15600 -1.0 2.0
   39    43    48    49  -0.50800  1.0 3.0
   39    43    48    56  -0.28300  1.0 1.0
   39    43    48    56   0.26700 -1.0 2.0
   39    43    48    56  -0.63300  1.0 3.0
   39    43    50    51   0.15000  1.0 3.0
   39    43    50    52   0.15000  1.0 3.0
   39    43    50    57   0.31000  1.0 1.0
   39    43    50    57   0.14700 -1.0 2.0
   39    43    50    57   0.07550  1.0 3.0
   39    43    53    54  -0.07800  1.0 1.0
   39    43    53    54  -0.21500 -1.0 2.0
   39    43    53    54  -0.03150  1.0 3.0
   43    39    44    45   2.00000 -1.0 2.0
   43    48   -56    33   7.00000 -1.0 2.0
   43    48    56    67   7.00000 -1.0 2.0
   43    50    57    58   0.00000  1.0 1.0
   43    50    57    69   0.09850  1.0 1.0
   43    50    57    69   0.15250 -1.0 2.0
   43    50    57    69  -0.50650  1.0 3.0
   48    43    50    51   0.15000  1.0 3.0
   48    43    50    52   0.15000  1.0 3.0
   48    43    50    57   0.31000  1.0 1.0
   48    43    50    57   0.14700 -1.0 2.0
   48    43    50    57   0.07550  1.0 3.0
   48    43    53    54  -0.07800  1.0 1.0
   48    43    53    54  -0.21500 -1.0 2.0
   48    43    53    54  -0.03150  1.0 3.0
   48    56    67    68   1.00000 -1.0 2.0
   48    56    67    70  -0.33500  1.0 1.0
   48    56    67    70   1.06600 -1.0 2.0
   48    56    67    70  -0.14000  1.0 3.0
   49    48    56    33   7.00000 -1.0 2.0
   49    48    56    67   7.00000 -1.0 2.0
   56    33   -38    39  -0.28300  1.0 1.0
   56    33   -38    39   0.26700 -1.0 2.0
   56    33   -38    39  -0.63300  1.0 3.0
   56    33    38    40   0.09700  1.0 1.0
   56    33    38    40   0.15600 -1.0 2.0
   56    33    38    40  -0.50800  1.0 3.0
   56    67    70    71   0.00000  1.0 1.0
   56    67    70    72   0.00000  1.0 1.0
   56    67    70    81   0.65300  1.0 1.0
   56    67    70    81  -0.03850 -1.0 2.0
   56    67    70    81   0.33900  1.0 3.0
   67    70    81    82  -0.11250  1.0 3.0
   67    70    81    83  -0.95700  1.0 1.0
   67    70    81    83  -0.18200 -1.0 2.0
   67    70    81    83   0.29450  1.0 3.0
   67    70    81    87  -0.95700  1.0 1.0
   67    70    81    87  -0.18200 -1.0 2.0
   67    70    81    87   0.29450  1.0 3.0
   68    67    70    71   0.00000  1.0 1.0
   68    67    70    72   0.00000  1.0 1.0
   68    67    70    81   0.30150 -1.0 2.0
   70    81    83    84   0.15000  1.0 3.0
   70    81    83    85   0.15000  1.0 3.0
   70    81    83    86   0.15000  1.0 3.0
   70    81    87    88   0.15000  1.0 3.0
   70    81    87    89   0.15000  1.0 3.0
   70    81    87    90   0.15000  1.0 3.0
   71    70    81    82   0.15000  1.0 3.0
   71    70    81    83   0.15000  1.0 3.0
   71    70    81    87   0.15000  1.0 3.0
   72    70    81    82   0.15000  1.0 3.0
   72    70    81    83   0.15000  1.0 3.0
   72    70    81    87   0.15000  1.0 3.0
   82    81    83    84   0.15000  1.0 3.0
   82    81    83    85   0.15000  1.0 3.0
   82    81    83    86   0.15000  1.0 3.0
   82    81    87    88   0.15000  1.0 3.0
   82    81    87    89   0.15000  1.0 3.0
   82    81    87    90   0.15000  1.0 3.0
   83    81    87    88   0.15000  1.0 3.0
   83    81    87    89   0.15000  1.0 3.0
   83    81    87    90   0.15000  1.0 3.0
   87    81    83    84   0.15000  1.0 3.0
   87    81    83    85   0.15000  1.0 3.0
   87    81    83    86   0.15000  1.0 3.0
   50    43    48    49   0.09700  1.0 1.0
   50    43    48    49   0.15600 -1.0 2.0
   50    43    48    49  -0.50800  1.0 3.0
   50    43    48    56   0.09850  1.0 1.0
   50    43    48    56   0.15250 -1.0 2.0
   50    43    48    56  -0.50650  1.0 3.0
   50    43    53    54  -0.11600  1.0 1.0
   50    43    53    54  -0.09450 -1.0 2.0
   50    43    53    54   0.21250  1.0 3.0
   50    57    69    73   7.00000 -1.0 2.0
   50    57    69    77   7.00000 -1.0 2.0
   51    50    57    58   0.33100  1.0 3.0
   51    50    57    69   0.00000  1.0 1.0
   52    50    57    58   0.33100  1.0 3.0
   52    50    57    69   0.00000  1.0 1.0
   57    69    73    74   0.00000  1.0 1.0
   57    69    73    75   0.00000  1.0 1.0
   57    69    73    76   0.00000  1.0 1.0
   57    69    77    78   0.00000  1.0 1.0
   57    69    77    79   0.00000  1.0 1.0
   57    69    77    80   0.00000  1.0 1.0
   58    57    69    73   7.00000 -1.0 2.0
   58    57    69    77   7.00000 -1.0 2.0
   73    69    77    78   0.34800  1.0 3.0
   73    69    77    79   0.34800  1.0 3.0
   73    69    77    80   0.34800  1.0 3.0
   77    69    73    74   0.34800  1.0 3.0
   77    69    73    75   0.34800  1.0 3.0
   77    69    73    76   0.34800  1.0 3.0
   53    43    48    49   0.09700  1.0 1.0
   53    43    48    49   0.15600 -1.0 2.0
   53    43    48    49  -0.50800  1.0 3.0
   53    43    48    56   0.67800  1.0 1.0
   53    43    48    56   0.47050 -1.0 2.0
   53    43    48    56  -0.62500  1.0 3.0
   53    43    50    51   0.23400  1.0 3.0
   53    43    50    52   0.23400  1.0 3.0
   53    43    50    57   1.05650  1.0 1.0
   53    43    50    57   0.15600 -1.0 2.0
   53    43    50    57   0.53150  1.0 3.0
   44    39    43    48   0.09700  1.0 1.0
   44    39    43    48   0.15600 -1.0 2.0
   44    39    43    48  -0.50800  1.0 3.0
   44    39    43    50   0.09700  1.0 1.0
   44    39    43    50   0.15600 -1.0 2.0
   44    39    43    50  -0.50800  1.0 3.0
   44    39    43    53   0.09700  1.0 1.0
   44    39    43    53   0.15600 -1.0 2.0
   44    39    43    53  -0.50800  1.0 3.0
   40    38    39    43   7.00000 -1.0 2.0
   40    38    39    44   7.00000 -1.0 2.0
   40    46    55    59   7.00000 -1.0 2.0
   40    46    55    63   7.00000 -1.0 2.0
   41    40    46    47   0.33100  1.0 3.0
   41    40    46    55   0.00000  1.0 1.0
   42    40    46    47   0.33100  1.0 3.0
   42    40    46    55   0.00000  1.0 1.0
   46    55    59    60   0.00000  1.0 1.0
   46    55    59    61   0.00000  1.0 1.0
   46    55    59    62   0.00000  1.0 1.0
   46    55    63    64   0.00000  1.0 1.0
   46    55    63    65   0.00000  1.0 1.0
   46    55    63    66   0.00000  1.0 1.0
   47    46    55    59   7.00000 -1.0 2.0
   47    46    55    63   7.00000 -1.0 2.0
   59    55    63    64   0.34800  1.0 3.0
   59    55    63    65   0.34800  1.0 3.0
   59    55    63    66   0.34800  1.0 3.0
   63    55    59    60   0.34800  1.0 3.0
   63    55    59    61   0.34800  1.0 3.0
   63    55    59    62   0.34800  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    40    38    39   1.10000 -1.0 2.0
   43    44    39    38   1.10000 -1.0 2.0
   43    49    48    56   1.10000 -1.0 2.0
   33    67    56    48   1.10000 -1.0 2.0
   56    70    67    68  10.50000 -1.0 2.0
   50    58    57    69  15.00000 -1.0 2.0
   73    77    69    57  15.00000 -1.0 2.0
   40    47    46    55  15.00000 -1.0 2.0
   59    63    55    46  15.00000 -1.0 2.0
END
