* LIGAND DATABASE FILE (OPLS2005)
*
001      85    89    166    264     487
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02103    97.72791   -54.62907
    3     1 S   H    _H1_     3     1.02073    81.39334    53.21339
    4     1 S   H    _H2_     4     1.02122    35.33555  -166.16427
    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     1.04748   118.84952     8.59078
   20    18 S   CT1  _CA2    20     1.46338   126.89443  -171.32586
   21    20 S   HC   _HA2    21     1.08457   106.27517   -11.11459
   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     1.08611   110.43906    58.92669
   26    24 S   HC   HB22    34     1.08669   109.83319   178.96297
   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   _C24    36     1.84851   101.24386   160.00890
   34    33 S   OM   _O23    37     1.31952   110.37380   165.09317
   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   _C22    38     1.54589   107.44088   -79.98815
   39    38 S   HC   _H46    39     1.09623   111.64952    62.04782
   40    38 S   HC   _H47    40     1.09848   113.29160   -60.58012
   41    38 S   HC   _H48    41     1.10021   111.24148   178.49429
   42    33 S   OS   _O26    42     1.45329   114.33930    35.85173
   43    42 S   CA   _C9_    43     1.35585   124.69707    62.64586
   44    43 S   CA   _C5_    44     1.40050   120.80558    -0.02798
   45    44 S   HA   _H30    45     1.08816   119.86335     0.96063
   46    44 S   CA   _C4_    46     1.40951   121.11012  -176.73745
   47    46 S   HA   _H29    47     1.08631   119.35966   176.31161
   48    46 S   CA   _C6_    48     1.39555   120.21445    -1.97645
   49    48 S   CR3  _C7_    49     1.38297   117.14406    -1.63375
   50    48 S   CT   _C13    64     1.50565   123.71258   172.62677
   51    50 S   HC   _H33    65     1.09836   106.98015   -60.81498
   52    50 S   HC   _H34    66     1.09393   109.58936    53.96574
   53    43 S   CA   _C8_    50     1.37705   121.59789  -178.22392
   54    53 S   OS   _O25    51     1.36944   126.52149     4.20049
   55    54 S   CT   _C19    52     1.47062   104.51632   164.28675
   56    55 S   HC   _H42    53     1.09803   105.55798   142.75628
   57    55 S   CT   _C17    54     1.55178   110.81772  -101.14600
   58    57 S   HC   _H40    55     1.09807   108.17951  -135.22485
   59    57 S   CM   _C11    56     1.50364   115.99288   105.99764
   60    59 S   HC   _H32    57     1.08621   118.33524  -157.26907
   61    57 S   OS   _O27    79     1.42480   110.77650   -18.88153
   62    59 S   CM   _C10    58     1.34105   122.62144    27.41447
   63    62 S   HC   _H31    59     1.08544   119.54279   175.46698
   64    61 S   CO4  _C12    80     1.36675   115.69350   -87.45634
   65    64 S   O    _O24    81     1.22306   126.15022     0.03426
   66    62 S   CT   _C16    60     1.50743   121.38244    -1.69246
   67    66 S   HC   _H39    61     1.10004   105.76002    86.76523
   68    64 S   CT   _C21    82     1.49868   109.77976   180.00000
   69    68 S   HC   _H43    83     1.09153   109.85560   -89.93471
   70    68 S   HC   _H44    84     1.09304   109.82418   148.04877
   71    68 S   HC   _H45    85     1.09462   109.34202    29.13671
   72    66 S   CT   _C18    62     1.56281   114.63562  -154.13621
   73    72 S   HC   _H41    63     1.09869   107.71242   -54.87588
   74    72 S   NT   _N22    67     1.48266   106.76075  -169.48685
   75    74 S   CT   _C15    68     1.46626   113.97469   -62.54784
   76    75 S   HC   _H37    69     1.09669   110.98300   -70.93947
   77    75 S   HC   _H38    70     1.09724   109.59619   172.07699
   78    74 S   CT   _C23    75     1.45885   113.43547   168.57349
   79    78 S   HC   _H49    76     1.09312   110.13777   -49.75856
   80    78 S   HC   _H50    77     1.09372   110.26850  -169.79456
   81    78 S   HC   _H51    78     1.09369   110.23341    70.23509
   82    75 S   CT   _C14    71     1.53779   112.36833    52.43665
   83    82 S   HC   _H35    72     1.09869   108.63113    74.36534
   84    82 S   HC   _H36    73     1.09797   108.81882  -170.08704
   85    49 S   CT   _C20    74     1.49310   126.38983  -179.40554
  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
   9   6   2   1   1   5   3   2   1   7  10   8   4   9   3  13
  17  12   5   4   7   9  16   7  12   6   9   4   8   8   4   5
   4  10   5   3   2   1   1  11   4  11  10   6   5   4   2   1
   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    53  
   38    39    40    41    42    43  
   36    37  
   37  
    0  
   39    40    41    42    43  
   40    41    42  
   41    42  
   42  
   43    44    45    46    49    53    54  
   44    45    46    47    48    49    53    54    55    85  
   45    46    47    48    49    53    54    50  
   46    47    48    53  
   47    48    49    53    72    50    51    52    85  
   48    49    50  
   49    53    54    55    66    72    73    50    51    52    74    82    85  
   53    54    55    56    57    62    66    67    72    50    51    52    75    82    83    84    85  
   51    52    74    75    85    78    53    62    66    67    72    73  
   52    74    66    72    73  
   74    66    72    73  
   54    55    56    57    66    82    85  
   55    56    57    58    59    66    82    85    61  
   56    57    58    59    60    62    66    67    72    75    82    83    84    85    61    64  
   57    58    59    66    82    85    61  
   58    59    60    62    63    66    82    85    61    64    65    68  
   59    60    62    85    61    64  
   60    62    63    66    67    72    85    61    64  
   62    63    66    61  
   64    65    68    69    70    71    62    85  
   63    66    67    72    73    74    82    85  
   66    67    72    85  
   65    68    69    70    71  
   68    69    70    71  
   67    72    73    74    75    82    83    84    85    78  
   72    73    74    82    85  
   69    70    71  
   70    71  
   71  
    0  
   73    74    75    76    77    82    85    78    79    80    81  
   74    75    85    78  
   75    76    77    82    83    84    85    78    79    80    81  
   76    77    82    83    84    85    78    79    80    81  
   77    82    83    84    85    78  
   82    83    84    85    78  
   79    80    81    82  
   80    81  
   81  
    0  
   83    84    85  
   84    85  
   85  
    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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   43   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   44   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   45   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   46   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   47   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   48   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   49   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   50   3.5000   0.0660  -0.005000   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   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   54   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   55   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   62   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   63   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   64   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   70   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   71   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   72   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   75   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.5000   0.0660  -0.120000   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   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
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    42   320.000  1.410
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   450.000  1.364
   43    44   469.000  1.400
   43    53   469.000  1.400
   44    45   367.000  1.080
   44    46   469.000  1.400
   46    47   367.000  1.080
   46    48   469.000  1.400
   48    49   490.000  1.398
   48    50   317.000  1.510
   49    53   490.000  1.398
   49    85   317.000  1.510
   53    54   450.000  1.364
   54    55   320.000  1.410
   55    56   340.000  1.090
   55    57   268.000  1.529
   55    85   268.000  1.529
   57    58   340.000  1.090
   57    59   317.000  1.510
   57    61   320.000  1.410
   59    60   340.000  1.080
   59    62   549.000  1.340
   62    63   340.000  1.080
   62    66   317.000  1.510
   66    67   340.000  1.090
   66    72   268.000  1.529
   66    85   268.000  1.529
   72    73   340.000  1.090
   72    50   268.000  1.529
   72    74   382.000  1.448
   50    51   340.000  1.090
   50    52   340.000  1.090
   74    75   382.000  1.448
   74    78   382.000  1.448
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    82   268.000  1.529
   82    83   340.000  1.090
   82    84   340.000  1.090
   82    85   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   61    64   214.000  1.327
   64    65   570.000  1.229
   64    68   317.000  1.522
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   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  111.63000
   29    33    42    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    75.00000  111.00000
   38    33    34    50.00000  109.50000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34   110.00000  112.65000
   42    33    38    50.00000  109.50000
   42    43    44    70.00000  120.00000
   42    43    53    70.00000  120.00000
   43    44    45    35.00000  120.00000
   43    44    46    63.00000  120.00000
   43    53    49    70.00000  112.88000
   43    53    54    70.00000  120.00000
   44    46    47    35.00000  120.00000
   44    46    48    63.00000  120.00000
   46    44    45    35.00000  120.00000
   46    48    49    70.00000  112.88000
   46    48    50    70.00000  120.00000
   48    46    47    35.00000  120.00000
   48    49    53    60.00000  130.80000
   48    49    85    70.00000  120.00000
   48    50    72    70.00000  112.17500
   48    50    51    35.00000  109.50000
   48    50    52    35.00000  109.50000
   49    53    54    70.00000  120.00000
   49    85    55    70.00000  112.17500
   49    85    66    70.00000  112.17500
   49    85    82    70.00000  112.17500
   53    43    44    63.00000  120.00000
   53    54    55    75.00000  111.00000
   54    55    56    35.00000  109.50000
   54    55    57    50.00000  109.50000
   54    55    85    50.00000  109.50000
   55    57    58    37.50000  110.70000
   55    57    59    70.00000  112.02700
   55    57    61    50.00000  109.50000
   55    85    66    58.35000  112.70000
   55    85    82    58.35000  112.70000
   57    55    56    37.50000  110.70000
   57    59    60    35.00000  117.00000
   57    59    62    70.00000  124.00000
   57    61    64    83.00000  116.90000
   59    57    58    35.00000  109.50000
   59    62    63    35.00000  120.00000
   59    62    66    70.00000  124.00000
   62    59    60    35.00000  120.00000
   62    66    67    35.00000  109.50000
   62    66    72    70.00000  112.02700
   62    66    85    70.00000  112.02700
   66    62    63    35.00000  117.00000
   66    72    73    37.50000  110.70000
   66    72    50    58.35000  112.70000
   66    72    74    56.20000  109.47000
   66    85    82    58.35000  112.70000
   72    66    67    37.50000  110.70000
   72    50    51    37.50000  110.70000
   72    50    52    37.50000  110.70000
   72    74    75    51.80000  107.20000
   72    74    78    51.80000  107.20000
   50    48    49    80.00000  105.07000
   50    72    73    37.50000  110.70000
   52    50    51    33.00000  107.80000
   74    72    73    35.00000  109.50000
   74    72    50    56.20000  109.47000
   74    75    76    35.00000  109.50000
   74    75    77    35.00000  109.50000
   74    75    82    56.20000  109.47000
   74    78    79    35.00000  109.50000
   74    78    80    35.00000  109.50000
   74    78    81    35.00000  109.50000
   75    82    83    37.50000  110.70000
   75    82    84    37.50000  110.70000
   75    82    85    58.35000  112.70000
   77    75    76    33.00000  107.80000
   82    75    76    37.50000  110.70000
   82    75    77    37.50000  110.70000
   84    82    83    33.00000  107.80000
   85    49    53    70.00000  120.00000
   85    55    56    37.50000  110.70000
   85    55    57    58.35000  112.70000
   85    66    67    37.50000  110.70000
   85    66    72    58.35000  112.70000
   85    82    83    37.50000  110.70000
   85    82    84    37.50000  110.70000
   78    74    75    51.80000  107.20000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   61    57    58    35.00000  109.50000
   61    57    59    85.00000  110.90400
   61    64    65    83.00000  123.40000
   61    64    68    81.00000  111.40000
   64    68    69    35.00000  109.50000
   64    68    70    35.00000  109.50000
   64    68    71    35.00000  109.50000
   68    64    65    80.00000  120.40000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    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   0.01700  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    42   0.13850  1.0 1.0
   24    29    33    42  -1.34450 -1.0 2.0
   24    29    33    42   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   29    33    42    43   0.14700  1.0 1.0
   29    33    42    43  -1.16150 -1.0 2.0
   29    33    42    43   0.48700  1.0 3.0
   33    42    43    44   1.63200 -1.0 2.0
   33    42    43    53   1.63200 -1.0 2.0
   34    33    38    39   0.23400  1.0 3.0
   34    33    38    40   0.23400  1.0 3.0
   34    33    38    41   0.23400  1.0 3.0
   34    33    42    43  -0.25600  1.0 1.0
   34    33    42    43  -0.40050 -1.0 2.0
   34    33    42    43   0.34700  1.0 3.0
   38    33    42    43  -0.32850  1.0 1.0
   38    33    42    43  -0.35800 -1.0 2.0
   38    33    42    43   0.33950  1.0 3.0
   42    33    38    39   0.23400  1.0 3.0
   42    33    38    40   0.23400  1.0 3.0
   42    33    38    41   0.23400  1.0 3.0
   42    43    44    45   3.62500 -1.0 2.0
   42    43    44    46   3.62500 -1.0 2.0
   42    43    53    49   3.62500 -1.0 2.0
   42    43    53    54   3.62500 -1.0 2.0
   43    44    46    47   3.62500 -1.0 2.0
   43    44    46    48   3.62500 -1.0 2.0
   43    53    54    55   1.63200 -1.0 2.0
   44    43    53    49   3.62500 -1.0 2.0
   44    43    53    54   3.62500 -1.0 2.0
   44    46   -48    49   3.62500 -1.0 2.0
   44    46    48    50   3.62500 -1.0 2.0
   45    44    46    47   3.62500 -1.0 2.0
   45    44    46    48   3.62500 -1.0 2.0
   46    48    49    53   3.62500 -1.0 2.0
   46    48    49    85   3.62500 -1.0 2.0
   46    48    50    72   0.04150 -1.0 2.0
   46    48    50    51   0.00000  1.0 1.0
   46    48    50    52   0.00000  1.0 1.0
   47    46    48    49   3.62500 -1.0 2.0
   47    46    48    50   3.62500 -1.0 2.0
   48    49   -53    43   3.62500 -1.0 2.0
   48    49    53    54   3.62500 -1.0 2.0
   48    49    85    55   0.04150 -1.0 2.0
   48    49    85    66   0.04150 -1.0 2.0
   48    49    85    82   0.04150 -1.0 2.0
   49    48    50    72   0.04150 -1.0 2.0
   49    48    50    51   0.00000  1.0 1.0
   49    48    50    52   0.00000  1.0 1.0
   49    53   -54    55   1.63200 -1.0 2.0
   53    43    44    45   3.62500 -1.0 2.0
   53    43   -44    46   3.62500 -1.0 2.0
   53    49   -85    55   0.04150 -1.0 2.0
   53    49    85    66   0.04150 -1.0 2.0
   53    49    85    82   0.04150 -1.0 2.0
   53    54    55    56   0.08050  1.0 3.0
   53    54    55    57  -0.32850  1.0 1.0
   53    54    55    57  -0.35800 -1.0 2.0
   53    54    55    57   0.33950  1.0 3.0
   53    54   -55    85  -0.32850  1.0 1.0
   53    54   -55    85  -0.35800 -1.0 2.0
   53    54   -55    85   0.33950  1.0 3.0
   54    55    57    58   0.23400  1.0 3.0
   54    55    57    59   0.61850  1.0 1.0
   54    55    57    59  -0.22750 -1.0 2.0
   54    55    57    59   0.15300  1.0 3.0
   54    55    57    61   1.11900  1.0 1.0
   54    55    57    61  -1.16350 -1.0 2.0
   54    55    57    61  -0.34150  1.0 3.0
   54    55   -85    49  -0.64350  1.0 1.0
   54    55   -85    49  -0.04200 -1.0 2.0
   54    55   -85    49   0.19800  1.0 3.0
   54    55    85    66   0.62750  1.0 1.0
   54    55    85    66  -0.30950 -1.0 2.0
   54    55    85    66   0.27300  1.0 3.0
   54    55    85    82   0.62750  1.0 1.0
   54    55    85    82  -0.30950 -1.0 2.0
   54    55    85    82   0.27300  1.0 3.0
   55    57    59    60   0.00000  1.0 1.0
   55    57    59    62   0.09850  1.0 1.0
   55    57    59    62   0.15250 -1.0 2.0
   55    57    59    62  -0.50650  1.0 3.0
   55    57    61    64  -0.25900  1.0 1.0
   55    57    61    64  -0.47000 -1.0 2.0
   55    57    61    64   0.11750  1.0 3.0
   56    55    57    58   0.15000  1.0 3.0
   56    55    57    59   0.15000  1.0 3.0
   56    55    57    61   0.23400  1.0 3.0
   56    55    85    49   0.43200  1.0 3.0
   56    55    85    66   0.15000  1.0 3.0
   56    55    85    82   0.15000  1.0 3.0
   57    55    85    49  -0.03700  1.0 1.0
   57    55    85    49   0.37200 -1.0 2.0
   57    55    85    49  -0.47300  1.0 3.0
   57    55    85    66   0.56750  1.0 1.0
   57    55    85    66  -0.07550 -1.0 2.0
   57    55    85    66   0.20000  1.0 3.0
   57    55    85    82   0.56750  1.0 1.0
   57    55    85    82  -0.07550 -1.0 2.0
   57    55    85    82   0.20000  1.0 3.0
   57    59    62    63   7.00000 -1.0 2.0
   57    59   -62    66   7.00000 -1.0 2.0
   57    61    64    65   3.00000 -1.0 2.0
   57    61    64    68   1.63150  1.0 1.0
   57    61    64    68   2.92000 -1.0 2.0
   58    57    59    60   0.33100  1.0 3.0
   58    57    59    62   0.00000  1.0 1.0
   58    57    61    64   0.08050  1.0 3.0
   59    57    61    64  -0.82050  1.0 1.0
   59    57    61    64   0.00600 -1.0 2.0
   59    57    61    64   0.04400  1.0 3.0
   59    62    66    67   0.00000  1.0 1.0
   59    62    66    72   0.09850  1.0 1.0
   59    62    66    72   0.15250 -1.0 2.0
   59    62    66    72  -0.50650  1.0 3.0
   59    62    66    85   0.09850  1.0 1.0
   59    62    66    85   0.15250 -1.0 2.0
   59    62    66    85  -0.50650  1.0 3.0
   60    59    62    63   7.00000 -1.0 2.0
   60    59    62    66   7.00000 -1.0 2.0
   62    66    72    73   0.15000  1.0 3.0
   62    66    72    50   0.34400  1.0 1.0
   62    66    72    50   0.09450 -1.0 2.0
   62    66    72    50   0.11100  1.0 3.0
   62    66    72    74   0.59950  1.0 1.0
   62    66    72    74  -0.21400 -1.0 2.0
   62    66    72    74   0.56200  1.0 3.0
   62    66    85    49   0.21200  1.0 1.0
   62    66    85    49   0.16900 -1.0 2.0
   62    66    85    49  -1.15100  1.0 3.0
   62    66   -85    55   0.34400  1.0 1.0
   62    66   -85    55   0.09450 -1.0 2.0
   62    66   -85    55   0.11100  1.0 3.0
   62    66    85    82   0.34400  1.0 1.0
   62    66    85    82   0.09450 -1.0 2.0
   62    66    85    82   0.11100  1.0 3.0
   63    62    66    67   0.33100  1.0 3.0
   63    62    66    72   0.00000  1.0 1.0
   63    62    66    85   0.00000  1.0 1.0
   66    72   -50    48  -0.03700  1.0 1.0
   66    72   -50    48   0.37200 -1.0 2.0
   66    72   -50    48  -0.47300  1.0 3.0
   66    72    50    51   0.15000  1.0 3.0
   66    72    50    52   0.15000  1.0 3.0
   66    72    74    75   0.23450  1.0 1.0
   66    72    74    75   0.02050 -1.0 2.0
   66    72    74    75   0.25250  1.0 3.0
   66    72    74    78   0.58650  1.0 1.0
   66    72    74    78   0.12600 -1.0 2.0
   66    72    74    78   0.33350  1.0 3.0
   67    66    72    73   0.15000  1.0 3.0
   67    66    72    50   0.15000  1.0 3.0
   67    66    72    74   0.15000  1.0 3.0
   67    66    85    49   0.43200  1.0 3.0
   67    66    85    55   0.15000  1.0 3.0
   67    66    85    82   0.15000  1.0 3.0
   72    66   -85    49  -0.03700  1.0 1.0
   72    66   -85    49   0.37200 -1.0 2.0
   72    66   -85    49  -0.47300  1.0 3.0
   72    66    85    55   0.56750  1.0 1.0
   72    66    85    55  -0.07550 -1.0 2.0
   72    66    85    55   0.20000  1.0 3.0
   72    66    85    82   0.56750  1.0 1.0
   72    66    85    82  -0.07550 -1.0 2.0
   72    66    85    82   0.20000  1.0 3.0
   72    74    75    76   0.28000  1.0 3.0
   72    74    75    77   0.28000  1.0 3.0
   72    74   -75    82   0.23450  1.0 1.0
   72    74   -75    82   0.02050 -1.0 2.0
   72    74   -75    82   0.25250  1.0 3.0
   72    74    78    79   0.28000  1.0 3.0
   72    74    78    80   0.28000  1.0 3.0
   72    74    78    81   0.28000  1.0 3.0
   73    72    50    48   0.43200  1.0 3.0
   73    72    50    51   0.15000  1.0 3.0
   73    72    50    52   0.15000  1.0 3.0
   73    72    74    75   0.28000  1.0 3.0
   73    72    74    78   0.28000  1.0 3.0
   50    48    49    53   3.62500 -1.0 2.0
   50    48    49    85   3.62500 -1.0 2.0
   50    72    74    75   0.23450  1.0 1.0
   50    72    74    75   0.02050 -1.0 2.0
   50    72    74    75   0.25250  1.0 3.0
   50    72    74    78   0.58650  1.0 1.0
   50    72    74    78   0.12600 -1.0 2.0
   50    72    74    78   0.33350  1.0 3.0
   74    72    50    48   0.83750  1.0 1.0
   74    72    50    48   0.32200 -1.0 2.0
   74    72    50    48   0.70600  1.0 3.0
   74    72    50    51   0.15000  1.0 3.0
   74    72    50    52   0.15000  1.0 3.0
   74    75    82    83   0.15000  1.0 3.0
   74    75    82    84   0.15000  1.0 3.0
   74    75    82    85   1.53400  1.0 1.0
   74    75    82    85  -0.09950 -1.0 2.0
   74    75    82    85   0.05700  1.0 3.0
   75    74    78    79   0.28000  1.0 3.0
   75    74    78    80   0.28000  1.0 3.0
   75    74    78    81   0.28000  1.0 3.0
   75    82    85    49  -0.03700  1.0 1.0
   75    82    85    49   0.37200 -1.0 2.0
   75    82    85    49  -0.47300  1.0 3.0
   75    82    85    55   0.56750  1.0 1.0
   75    82    85    55  -0.07550 -1.0 2.0
   75    82    85    55   0.20000  1.0 3.0
   75    82   -85    66   0.56750  1.0 1.0
   75    82   -85    66  -0.07550 -1.0 2.0
   75    82   -85    66   0.20000  1.0 3.0
   76    75    82    83   0.15000  1.0 3.0
   76    75    82    84   0.15000  1.0 3.0
   76    75    82    85   0.15000  1.0 3.0
   77    75    82    83   0.15000  1.0 3.0
   77    75    82    84   0.15000  1.0 3.0
   77    75    82    85   0.15000  1.0 3.0
   83    82    85    49   0.43200  1.0 3.0
   83    82    85    55   0.15000  1.0 3.0
   83    82    85    66   0.15000  1.0 3.0
   84    82    85    49   0.43200  1.0 3.0
   84    82    85    55   0.15000  1.0 3.0
   84    82    85    66   0.15000  1.0 3.0
   85    49    53    43   3.62500 -1.0 2.0
   85    49   -53    54   3.62500 -1.0 2.0
   85    55    57    58   0.15000  1.0 3.0
   85    55   -57    59   0.34400  1.0 1.0
   85    55   -57    59   0.09450 -1.0 2.0
   85    55   -57    59   0.11100  1.0 3.0
   85    55    57    61   0.62750  1.0 1.0
   85    55    57    61  -0.30950 -1.0 2.0
   85    55    57    61   0.27300  1.0 3.0
   85    66    72    73   0.15000  1.0 3.0
   85    66   -72    50   0.56750  1.0 1.0
   85    66   -72    50  -0.07550 -1.0 2.0
   85    66   -72    50   0.20000  1.0 3.0
   85    66   -72    74   1.53400  1.0 1.0
   85    66   -72    74  -0.09950 -1.0 2.0
   85    66   -72    74   0.05700  1.0 3.0
   78    74    75    76   0.28000  1.0 3.0
   78    74    75    77   0.28000  1.0 3.0
   78    74    75    82   0.58650  1.0 1.0
   78    74    75    82   0.12600 -1.0 2.0
   78    74    75    82   0.33350  1.0 3.0
   61    57    59    60   0.00000  1.0 1.0
   61    57    59    62   0.39000  1.0 1.0
   61    57    59    62  -0.05800 -1.0 2.0
   61    57    59    62  -0.55150  1.0 3.0
   61    64    68    69   0.00000  1.0 1.0
   61    64    68    70   0.00000  1.0 1.0
   61    64    68    71   0.00000  1.0 1.0
   65    64    68    69   0.00000  1.0 1.0
   65    64    68    70   0.00000  1.0 1.0
   65    64    68    71   0.00000  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
   44    53    43    42   4.00000 -1.0 2.0
   46    45    44    43   1.10000 -1.0 2.0
   48    47    46    44   1.10000 -1.0 2.0
   49    50    48    46   4.00000 -1.0 2.0
   53    85    49    48   4.00000 -1.0 2.0
   49    54    53    43   4.00000 -1.0 2.0
   57    60    59    62   1.10000 -1.0 2.0
   66    63    62    59   1.10000 -1.0 2.0
   61    68    64    65  10.50000 -1.0 2.0
END
