* LIGAND DATABASE FILE (OPLS2005)
*
001      89    89    160    231     464
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02041    73.11726    64.22578
    3     1 S   H    _H1_     3     1.02076    40.75189  -145.91076
    4     1 S   H    _H2_     4     1.02108   102.55005   -41.77755
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.05972   107.41041    47.01581
    7     5 S   CO3  _C1_     7     1.53908   109.34128   -68.19590
    8     7 S   O2Z  _O11     8     1.25095   118.44911   -27.27841
    9     7 S   O2Z  _O12     9     1.24883   117.20318   152.23358
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74441
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98762
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34015   114.76575   162.47883
   19    18 S   H    _HN2    19     1.04724   118.98282     8.58904
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08448   106.40438   -11.12153
   22    20 S   C    _C2_    22     1.54037   112.60135  -130.27230
   23    22 S   O    _O2_    23     1.23085   119.01196  -169.64989
   24    20 S   CT   _CB2    32     1.54652   109.46586   105.32505
   25    24 S   HC   HB21    33     1.08733   110.25787    59.12705
   26    24 S   HC   HB22    34     1.08755   109.66015   178.75008
   27    22 S   N    _N3_    24     1.34263   118.97450    10.45203
   28    27 S   H    _HN3    25     1.03492   120.05970     5.06895
   29    24 S   S    _SG2    35     1.81647   112.43692   -61.22030
   30    27 S   CT   _CA3    26     1.46098   124.53040  -172.10347
   31    30 S   HC   HA31    27     1.12298   109.15732    14.31073
   32    30 S   HC   HA32    28     1.12301   109.23063   127.81991
   33    29 S   CT   _C22    36     1.87036   102.08513  -180.00000
   34    33 S   OM   _O21    37     1.32410   107.62801    43.29518
   35    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   36    35 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   37    35 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   38    33 S   CT   _C21    38     1.61642   110.64461   160.00444
   39    33 S   OS   _O25    51     1.45298   112.78236   -82.21110
   40    38 S   CT   _C14    39     1.55965   110.92972   -57.03476
   41    40 S   HC   _H39    40     1.09456   111.58703   -58.88550
   42    40 S   HC   _H40    41     1.09608   111.01076    60.68068
   43    40 S   HC   _H41    42     1.09565   111.88164   179.84934
   44    38 S   CT   _C15    43     1.55150   111.74204    60.28586
   45    44 S   HC   _H42    44     1.09439   111.68809    59.40793
   46    44 S   HC   _H43    45     1.09708   110.98973   -59.97864
   47    44 S   HC   _H44    46     1.09386   111.88283  -178.59361
   48    38 S   CT   _C16    47     1.55272   113.93358  -178.39575
   49    48 S   HC   _H45    48     1.09366   112.08858   -56.69975
   50    48 S   HC   _H46    49     1.09475   111.98245    65.07517
   51    48 S   HC   _H47    50     1.09708   110.71406  -175.85839
   52    39 S   CA   _C8_    52     1.36771   125.63673    29.14011
   53    52 S   CA   _C5_    53     1.39474   119.43489   -89.99958
   54    53 S   HA   _H28    54     1.08590   120.35730     0.01978
   55    53 S   CA   _C4_    55     1.39455   119.98133   180.00000
   56    55 S   HA   _H27    56     1.08673   119.49795   179.91844
   57    55 S   CA   _C7_    57     1.39504   120.00272    -0.00000
   58    57 S   CA   _C6_    58     1.39474   120.01591     0.02798
   59    58 S   HA   _H29    59     1.08710   120.14419   179.98022
   60    57 S   CT   _C19    77     1.49205   120.00884   179.92867
   61    60 S   HC   _H53    78     1.10393   110.66373    -0.05234
   62    52 S   CA   _C9_    60     1.39504   120.54918    89.99736
   63    60 S   CT   _C18    79     1.53791   112.52017   122.66247
   64    63 S   HC   _H51    80     1.09586   110.38164    80.01151
   65    63 S   HC   _H52    81     1.09557   110.94551   -39.67856
   66    60 S   OH   _O23    88     1.43413   109.19673  -116.30998
   67    66 S   HO   _H55    89     0.96724   106.06372   179.94405
   68    62 S   OS   _O24    61     1.36266   120.54632    -0.04846
   69    63 S   NTH  _N20    82     1.44605   110.44082  -159.97732
   70    69 S   H    _H54    83     1.02326   109.73303    58.43777
   71    68 S   CO4  _C10    62     1.35347   113.23614    90.00974
   72    71 S   O    _O22    63     1.22588   127.38157     0.67231
   73    69 S   CT   _C17    84     1.45995   111.33272   178.85482
   74    73 S   HC   _H48    85     1.09303   110.12740    58.92958
   75    73 S   HC   _H49    86     1.09398   110.24221   -61.08309
   76    73 S   HC   _H50    87     1.09345   110.24505   178.95770
   77    71 S   CT   _C20    64     1.53531   108.84750  -180.00000
   78    77 S   CT   _C11    65     1.53416   109.39197    60.02240
   79    78 S   HC   _H30    66     1.09668   110.97213   180.00000
   80    78 S   HC   _H31    67     1.09541   111.71342   -60.46248
   81    78 S   HC   _H32    68     1.09587   111.25440    59.76612
   82    77 S   CT   _C12    69     1.53488   109.55990  -178.70457
   83    82 S   HC   _H33    70     1.09542   111.65656  -179.97202
   84    82 S   HC   _H34    71     1.09540   111.25160    59.90181
   85    82 S   HC   _H35    72     1.09631   110.98412   -60.41717
   86    77 S   CT   _C13    73     1.53764   109.51761   -59.34537
   87    86 S   HC   _H36    74     1.09599   111.22041   179.96574
   88    86 S   HC   _H37    75     1.09576   111.31870   -59.85329
   89    86 S   HC   _H38    76     1.09643   111.23040    60.33902
  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
  18   6   2   1   1  14  10  11   4   3   2   7   3   2   1   3
   2   1   1  10   8   4   9   3  12   8   3  10   6   4  10   5
   4   2   1   6   5   4  14   4   3   2   1   1  12  11   4   3
   2   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    40    44    48    39    52  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    40    41    42    43    44    45    46    47    48    49    50    51    39    52    53    62  
   38    40    44    48    39    52  
   36    37  
   37  
    0  
   40    41    42    43    44    45    46    47    48    49    50    51    39    52  
   52    53    54    55    58    62    68    40    44    48  
   41    42    43    44    45    46    47    48    49    50    51  
   42    43    44    48  
   43    44    48  
   44    48  
   45    46    47    48    49    50    51  
   46    47    48  
   47    48  
   48  
   49    50    51  
   50    51  
   51  
    0  
   53    54    55    56    57    58    59    62    68    71  
   54    55    56    57    58    62    68    60  
   55    56    57    62  
   56    57    58    59    62    60    61    63    66  
   57    58    60  
   58    59    62    68    60    61    63    64    65    69    66    67  
   59    62    68    71    60    61    63    66  
   62    68    60  
   61    63    64    65    69    70    73    66    67    62  
   63    64    65    69    66    67  
   68    71    72    77  
   64    65    69    70    73    74    75    76    66    67  
   65    69    70    73    66  
   69    70    73    66  
   67    69  
    0  
   71    72    77    78    82    86  
   70    73    74    75    76  
   73    74    75    76  
   72    77    78    79    80    81    82    83    84    85    86    87    88    89  
   77    78    82    86  
   74    75    76  
   75    76  
   76  
    0  
   78    79    80    81    82    83    84    85    86    87    88    89  
   79    80    81    82    83    84    85    86    87    88    89  
   80    81    82    86  
   81    82    86  
   82    86  
   83    84    85    86    87    88    89  
   84    85    86  
   85    86  
   86  
   87    88    89  
   88    89  
   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  -0.316400   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   0.571400   1.9750   1.7500   0.005000000  -0.741685710
   34   3.1500   0.2500  -1.222500   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   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   40   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   56   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   57   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5000   0.0660   0.320000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700   0.135000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   67   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   68   3.0000   0.1700  -0.215000   1.7660   1.5600   0.020110767  -0.896042159
   69   3.3000   0.1700  -0.780000   1.8650   1.6500   0.051222218  -2.220205820
   70   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.5000   0.0660   0.020000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   87   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
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   268.000  1.529
   33    39   320.000  1.410
   38    40   268.000  1.529
   38    44   268.000  1.529
   38    48   268.000  1.529
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    43   340.000  1.090
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
   39    52   450.000  1.364
   52    53   469.000  1.400
   52    62   469.000  1.400
   53    54   367.000  1.080
   53    55   469.000  1.400
   55    56   367.000  1.080
   55    57   469.000  1.400
   57    58   469.000  1.400
   57    60   317.000  1.510
   58    59   367.000  1.080
   58    62   469.000  1.400
   62    68   450.000  1.364
   68    71   214.000  1.327
   71    72   570.000  1.229
   71    77   317.000  1.522
   77    78   268.000  1.529
   77    82   268.000  1.529
   77    86   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   340.000  1.090
   86    87   340.000  1.090
   86    88   340.000  1.090
   86    89   340.000  1.090
   60    61   340.000  1.090
   60    63   268.000  1.529
   60    66   320.000  1.410
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    69   305.000  1.454
   69    70   500.000  1.015
   69    73   305.000  1.454
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   66    67   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    85.00000  114.68000
   29    33    38    75.00000  111.63000
   29    33    39    85.00000  114.68000
   33    38    40    58.35000  112.70000
   33    38    44    58.35000  112.70000
   33    38    48    58.35000  112.70000
   33    39    52    75.00000  111.00000
   38    33    34    50.00000  109.50000
   38    40    41    37.50000  110.70000
   38    40    42    37.50000  110.70000
   38    40    43    37.50000  110.70000
   38    44    45    37.50000  110.70000
   38    44    46    37.50000  110.70000
   38    44    47    37.50000  110.70000
   38    48    49    37.50000  110.70000
   38    48    50    37.50000  110.70000
   38    48    51    37.50000  110.70000
   42    40    41    33.00000  107.80000
   43    40    41    33.00000  107.80000
   43    40    42    33.00000  107.80000
   44    38    40    58.35000  112.70000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   48    38    40    58.35000  112.70000
   48    38    44    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
   39    33    34   110.00000  112.65000
   39    33    38    50.00000  109.50000
   39    52    53    70.00000  120.00000
   39    52    62    70.00000  120.00000
   52    53    54    35.00000  120.00000
   52    53    55    63.00000  120.00000
   52    62    58    63.00000  120.00000
   52    62    68    70.00000  120.00000
   53    55    56    35.00000  120.00000
   53    55    57    63.00000  120.00000
   55    53    54    35.00000  120.00000
   55    57    58    63.00000  120.00000
   55    57    60    70.00000  120.00000
   57    55    56    35.00000  120.00000
   57    58    59    35.00000  120.00000
   57    58    62    63.00000  120.00000
   57    60    61    35.00000  109.50000
   57    60    63    70.00000  112.17500
   57    60    66    90.00000  112.51600
   58    62    68    70.00000  120.00000
   62    52    53    63.00000  120.00000
   62    58    59    35.00000  120.00000
   62    68    71    85.00000  115.98000
   68    71    72    83.00000  123.40000
   68    71    77    81.00000  111.40000
   71    77    78    63.00000  111.10000
   71    77    82    63.00000  111.10000
   71    77    86    63.00000  111.10000
   77    71    72    80.00000  120.40000
   77    78    79    37.50000  110.70000
   77    78    80    37.50000  110.70000
   77    78    81    37.50000  110.70000
   77    82    83    37.50000  110.70000
   77    82    84    37.50000  110.70000
   77    82    85    37.50000  110.70000
   77    86    87    37.50000  110.70000
   77    86    88    37.50000  110.70000
   77    86    89    37.50000  110.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   82    77    78    58.35000  112.70000
   84    82    83    33.00000  107.80000
   85    82    83    33.00000  107.80000
   85    82    84    33.00000  107.80000
   86    77    78    58.35000  112.70000
   86    77    82    58.35000  112.70000
   88    86    87    33.00000  107.80000
   89    86    87    33.00000  107.80000
   89    86    88    33.00000  107.80000
   60    57    58    70.00000  120.00000
   60    63    64    37.50000  110.70000
   60    63    65    37.50000  110.70000
   60    63    69    80.00000  111.29100
   60    66    67    55.00000  108.50000
   63    60    61    37.50000  110.70000
   63    69    70    50.00000  109.23200
   63    69    73    75.00000  112.02600
   65    63    64    33.00000  107.80000
   69    63    64    50.00000  110.59500
   69    63    65    50.00000  110.59500
   69    73    74    50.00000  110.59500
   69    73    75    50.00000  110.59500
   69    73    76    50.00000  110.59500
   73    69    70    50.00000  109.23200
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   66    60    61    35.00000  109.50000
   66    60    63    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    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   0.01700  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    39   0.13850  1.0 1.0
   24    29    33    39  -1.34450 -1.0 2.0
   24    29    33    39   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    40   0.44750  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    44   0.44750  1.0 1.0
   29    33    38    44  -0.17800 -1.0 2.0
   29    33    38    44   0.20200  1.0 3.0
   29    33    38    48   0.44750  1.0 1.0
   29    33    38    48  -0.17800 -1.0 2.0
   29    33    38    48   0.20200  1.0 3.0
   29    33    39    52   0.14700  1.0 1.0
   29    33    39    52  -1.16150 -1.0 2.0
   29    33    39    52   0.48700  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    42   0.15000  1.0 3.0
   33    38    40    43   0.15000  1.0 3.0
   33    38    44    45   0.15000  1.0 3.0
   33    38    44    46   0.15000  1.0 3.0
   33    38    44    47   0.15000  1.0 3.0
   33    38    48    49   0.15000  1.0 3.0
   33    38    48    50   0.15000  1.0 3.0
   33    38    48    51   0.15000  1.0 3.0
   33    39    52    53   1.63200 -1.0 2.0
   33    39    52    62   1.63200 -1.0 2.0
   34    33    38    40   0.62750  1.0 1.0
   34    33    38    40  -0.30950 -1.0 2.0
   34    33    38    40   0.27300  1.0 3.0
   34    33    38    44   0.62750  1.0 1.0
   34    33    38    44  -0.30950 -1.0 2.0
   34    33    38    44   0.27300  1.0 3.0
   34    33    38    48   0.62750  1.0 1.0
   34    33    38    48  -0.30950 -1.0 2.0
   34    33    38    48   0.27300  1.0 3.0
   34    33    39    52  -0.25600  1.0 1.0
   34    33    39    52  -0.40050 -1.0 2.0
   34    33    39    52   0.34700  1.0 3.0
   38    33    39    52  -0.32850  1.0 1.0
   38    33    39    52  -0.35800 -1.0 2.0
   38    33    39    52   0.33950  1.0 3.0
   40    38    44    45   0.15000  1.0 3.0
   40    38    44    46   0.15000  1.0 3.0
   40    38    44    47   0.15000  1.0 3.0
   40    38    48    49   0.15000  1.0 3.0
   40    38    48    50   0.15000  1.0 3.0
   40    38    48    51   0.15000  1.0 3.0
   44    38    40    41   0.15000  1.0 3.0
   44    38    40    42   0.15000  1.0 3.0
   44    38    40    43   0.15000  1.0 3.0
   44    38    48    49   0.15000  1.0 3.0
   44    38    48    50   0.15000  1.0 3.0
   44    38    48    51   0.15000  1.0 3.0
   48    38    40    41   0.15000  1.0 3.0
   48    38    40    42   0.15000  1.0 3.0
   48    38    40    43   0.15000  1.0 3.0
   48    38    44    45   0.15000  1.0 3.0
   48    38    44    46   0.15000  1.0 3.0
   48    38    44    47   0.15000  1.0 3.0
   39    33    38    40   0.62750  1.0 1.0
   39    33    38    40  -0.30950 -1.0 2.0
   39    33    38    40   0.27300  1.0 3.0
   39    33    38    44   0.62750  1.0 1.0
   39    33    38    44  -0.30950 -1.0 2.0
   39    33    38    44   0.27300  1.0 3.0
   39    33    38    48   0.62750  1.0 1.0
   39    33    38    48  -0.30950 -1.0 2.0
   39    33    38    48   0.27300  1.0 3.0
   39    52    53    54   3.62500 -1.0 2.0
   39    52    53    55   3.62500 -1.0 2.0
   39    52    62    58   3.62500 -1.0 2.0
   39    52    62    68   3.62500 -1.0 2.0
   52    53    55    56   3.62500 -1.0 2.0
   52    53    55    57   3.62500 -1.0 2.0
   52    62    68    71   0.01300  1.0 1.0
   52    62    68    71   0.97950 -1.0 2.0
   52    62    68    71  -0.55700  1.0 3.0
   53    52    62    58   3.62500 -1.0 2.0
   53    52    62    68   3.62500 -1.0 2.0
   53    55   -57    58   3.62500 -1.0 2.0
   53    55    57    60   3.62500 -1.0 2.0
   54    53    55    56   3.62500 -1.0 2.0
   54    53    55    57   3.62500 -1.0 2.0
   55    57    58    59   3.62500 -1.0 2.0
   55    57    58    62   3.62500 -1.0 2.0
   55    57    60    61   0.00000  1.0 1.0
   55    57    60    63   0.04150 -1.0 2.0
   55    57    60    66   0.14300 -1.0 2.0
   55    57    60    66   0.00300  1.0 3.0
   56    55    57    58   3.62500 -1.0 2.0
   56    55    57    60   3.62500 -1.0 2.0
   57    58   -62    52   3.62500 -1.0 2.0
   57    58    62    68   3.62500 -1.0 2.0
   57    60    63    64   0.43200  1.0 3.0
   57    60    63    65   0.43200  1.0 3.0
   57    60    63    69   0.83750  1.0 1.0
   57    60    63    69   0.32200 -1.0 2.0
   57    60    63    69   0.70600  1.0 3.0
   57    60    66    67   0.31900  1.0 1.0
   57    60    66    67  -0.11800 -1.0 2.0
   57    60    66    67   0.38750  1.0 3.0
   58    57    60    61   0.00000  1.0 1.0
   58    57    60    63   0.04150 -1.0 2.0
   58    57    60    66   0.14300 -1.0 2.0
   58    57    60    66   0.00300  1.0 3.0
   58    62    68    71   0.01300  1.0 1.0
   58    62    68    71   0.97950 -1.0 2.0
   58    62    68    71  -0.55700  1.0 3.0
   59    58    62    52   3.62500 -1.0 2.0
   59    58    62    68   3.62500 -1.0 2.0
   62    52    53    54   3.62500 -1.0 2.0
   62    52   -53    55   3.62500 -1.0 2.0
   62    68    71    72   3.00000 -1.0 2.0
   62    68    71    77   0.75600  1.0 1.0
   62    68    71    77   1.63000 -1.0 2.0
   68    71    77    78   0.36750  1.0 3.0
   68    71    77    82   0.36750  1.0 3.0
   68    71    77    86   0.36750  1.0 3.0
   71    77    78    79  -0.11250  1.0 3.0
   71    77    78    80  -0.11250  1.0 3.0
   71    77    78    81  -0.11250  1.0 3.0
   71    77    82    83  -0.11250  1.0 3.0
   71    77    82    84  -0.11250  1.0 3.0
   71    77    82    85  -0.11250  1.0 3.0
   71    77    86    87  -0.11250  1.0 3.0
   71    77    86    88  -0.11250  1.0 3.0
   71    77    86    89  -0.11250  1.0 3.0
   72    71    77    78   0.30150 -1.0 2.0
   72    71    77    82   0.30150 -1.0 2.0
   72    71    77    86   0.30150 -1.0 2.0
   78    77    82    83   0.15000  1.0 3.0
   78    77    82    84   0.15000  1.0 3.0
   78    77    82    85   0.15000  1.0 3.0
   78    77    86    87   0.15000  1.0 3.0
   78    77    86    88   0.15000  1.0 3.0
   78    77    86    89   0.15000  1.0 3.0
   82    77    78    79   0.15000  1.0 3.0
   82    77    78    80   0.15000  1.0 3.0
   82    77    78    81   0.15000  1.0 3.0
   82    77    86    87   0.15000  1.0 3.0
   82    77    86    88   0.15000  1.0 3.0
   82    77    86    89   0.15000  1.0 3.0
   86    77    78    79   0.15000  1.0 3.0
   86    77    78    80   0.15000  1.0 3.0
   86    77    78    81   0.15000  1.0 3.0
   86    77    82    83   0.15000  1.0 3.0
   86    77    82    84   0.15000  1.0 3.0
   86    77    82    85   0.15000  1.0 3.0
   60    57    58    59   3.62500 -1.0 2.0
   60    57    58    62   3.62500 -1.0 2.0
   60    63    69    70   0.03200  1.0 1.0
   60    63    69    70   0.33800 -1.0 2.0
   60    63    69    73  -0.35450  1.0 1.0
   60    63    69    73   0.44050 -1.0 2.0
   60    63    69    73   0.77100  1.0 3.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    65   0.15000  1.0 3.0
   61    60    63    69   0.15000  1.0 3.0
   61    60    66    67   0.19450  1.0 3.0
   63    60    66    67  -0.11600  1.0 1.0
   63    60    66    67  -0.09450 -1.0 2.0
   63    60    66    67   0.21250  1.0 3.0
   63    69    73    74   0.28000  1.0 3.0
   63    69    73    75   0.28000  1.0 3.0
   63    69    73    76   0.28000  1.0 3.0
   64    63    69    70   0.20000  1.0 3.0
   64    63    69    73   0.28000  1.0 3.0
   65    63    69    70   0.20000  1.0 3.0
   65    63    69    73   0.28000  1.0 3.0
   70    69    73    74   0.20000  1.0 3.0
   70    69    73    75   0.20000  1.0 3.0
   70    69    73    76   0.20000  1.0 3.0
   66    60    63    64   0.23400  1.0 3.0
   66    60    63    65   0.23400  1.0 3.0
   66    60    63    69   4.49050  1.0 1.0
IPHI
    9     5     7     8  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
   37    30    35    36  10.50000 -1.0 2.0
   53    62    52    39   4.00000 -1.0 2.0
   55    54    53    52   1.10000 -1.0 2.0
   57    56    55    53   1.10000 -1.0 2.0
   58    60    57    55   4.00000 -1.0 2.0
   62    59    58    57   1.10000 -1.0 2.0
   58    68    62    52   4.00000 -1.0 2.0
   68    77    71    72  10.50000 -1.0 2.0
END
