* LIGAND DATABASE FILE (OPLS2005)
*
001      84    84    149    222     435
    1     0 S   NP   _N1_     1    28.70111    93.89001   -20.80213
    2     1 S   H    _HN1     2     1.02124    42.45636   112.64632
    3     1 S   H    _H1_     3     1.02120    70.94961   -95.82894
    4     1 S   H    _H2_     4     1.02012   103.55129     9.58960
    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     1.08519   110.67109    58.72486
   26    24 S   HC   HB22    34     1.08519   110.01707   179.21765
   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   _C17    36     1.87253    96.00055  -158.10309
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -108.98504
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13142
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33914
   37    33 S   CM   _C4_    37     1.55309   109.81855   -40.04014
   38    33 S   CM   _C11    59     1.51804   105.85169  -156.58202
   39    38 S   HC   _H30    60     1.08606   115.51679   -32.29986
   40    37 S   CMA  _C5_    38     1.36363   123.38640   140.76847
   41    40 S   OM   _O21    39     1.26558   130.32145  -179.82641
   42    37 S   CT   _C19    55     1.52494   117.11555   -43.00668
   43    42 S   HC   _H35    56     1.07914   108.29757   -86.42557
   44    42 S   HC   _H36    57     1.08006   108.26874   153.37475
   45    42 S   HC   _H37    58     1.08021   108.24506    33.80147
   46    38 S   CM   _C9_    61     1.34321   123.47548   147.68503
   47    46 S   HC   _H28    62     1.08961   117.37838    -0.06561
   48    40 S   CT   _C15    40     1.52727   120.48009     0.98636
   49    48 S   HC   _H31    41     1.09751   108.75179   132.23327
   50    48 S   HC   _H32    42     1.09760   110.62594  -111.23557
   51    46 S   CM   _C13    63     1.46641   126.86978  -179.98022
   52    48 S   CT   _C16    43     1.52737   115.74338    10.53231
   53    52 S   HC   _H33    44     1.09619   108.82480    79.97750
   54    52 S   HC   _H34    45     1.09467   108.97214  -165.23838
   55    51 S   CM   _C8_    64     1.35092   118.20878   179.97202
   56    55 S   HC   _H27    65     1.09106   118.18778     0.10087
   57    51 S   CT   _C21    81     1.50837   117.21507    -0.01978
   58    57 S   HC   _H41    82     1.09607   110.45185   -89.91630
   59    57 S   HC   _H42    83     1.09160   113.93468   150.23688
   60    57 S   HC   _H43    84     1.09597   110.46278    30.31074
   61    33 S   CT   _C18    46     1.58640   109.22755    83.52680
   62    55 S   CM   _C6_    66     1.45095   127.76346  -179.89913
   63    62 S   HC   _H25    67     1.08225   117.61606     0.42933
   64    61 S   CT   _C22    47     1.55522   113.17693   -50.37936
   65    64 S   HC   _H44    48     1.08134   108.66128    60.56080
   66    64 S   HC   _H45    49     1.08160   108.70073   -59.40028
   67    64 S   HC   _H46    50     1.08183   108.71629  -179.43076
   68    61 S   CT   _C23    51     1.54989   113.26660    70.98467
   69    68 S   HC   _H47    52     1.07964   108.35770   -61.17611
   70    68 S   HC   _H48    53     1.07937   108.40969   178.86409
   71    68 S   HC   _H49    54     1.07876   108.43053    58.80643
   72    62 S   CM   _C7_    68     1.34481   122.52863  -179.96044
   73    72 S   HC   _H26    69     1.09054   117.90536    -0.35936
   74    72 S   CM   _C12    70     1.46790   126.83845  -179.69999
   75    74 S   CM   _C10    71     1.34850   117.86732  -180.00000
   76    75 S   HC   _H29    72     1.08852   119.80401    -1.26021
   77    74 S   CT   _C20    77     1.50666   117.22544    -1.15741
   78    77 S   HC   _H38    78     1.09620   110.70536    90.06846
   79    77 S   HC   _H39    79     1.09541   110.48856  -149.54761
   80    77 S   HC   _H40    80     1.09056   113.72874   -28.27346
   81    75 S   C    _C14    73     1.47961   125.76724  -180.00000
   82    81 S   O    _O22    74     1.21761   127.18254    29.93511
   83    81 S   OH   _O23    75     1.35510   108.27271  -151.16039
   84    83 S   HO   _H50    76     0.98072   111.97978  -178.93412
  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  11   5   4   3
  25   2   1   1  16  12   4  12   5   5   2   1   1  10   3   8
   5   4   9  11   4   3  10   4   4   2   1   1   8   6   3   7
   3   2   1   3   2   1   1   9   3   9   9   4   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    61    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    52    61    64    68    42    38    39    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    48    52    53    54    61    64    65    66    67    68    69    70    71    42    43    44    45    38    39    46    47    51  
   35    36  
   36  
    0  
   40    41    48    49    50    52    61    64    68    42    43    44    45    38    39    46  
   39    46    47    51    55    57    40    42    52    61    64    68  
   46    47    51    61  
   41    48    49    50    52    53    54    61    42    43    44    45  
   48    49    50    52    42  
   43    44    45    48    61  
   44    45  
   45  
    0  
   47    51    55    56    62    57    58    59    60    61  
   51    55    57  
   49    50    52    53    54    61    64    68  
   50    52    53    54    61  
   52    53    54    61  
   55    56    62    63    72    57    58    59    60  
   53    54    61    64    65    66    67    68    69    70    71  
   54    61    64    68  
   61    64    68  
   56    62    63    72    73    74    57    58    59    60  
   62    63    72    57  
   58    59    60    62  
   59    60  
   60  
    0  
   64    65    66    67    68    69    70    71  
   63    72    73    74    75    77  
   72    73    74  
   65    66    67    68    69    70    71  
   66    67    68  
   67    68  
   68  
   69    70    71  
   70    71  
   71  
    0  
   73    74    75    76    81    77    78    79    80  
   74    75    77  
   75    76    81    82    83    77    78    79    80  
   76    81    82    83    84    77    78    79    80  
   81    82    83    77  
   78    79    80    81  
   79    80  
   80  
    0  
   82    83    84  
   83    84  
   84  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   75   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   76   2.4200   0.0300   0.115000   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   3.7500   0.1050   0.520000   2.1120   1.8750   0.001000000  -0.126889456
   82   2.9600   0.2100  -0.440000   1.9750   1.7500   0.001000000  -0.126889456
   83   3.0000   0.1700  -0.530000   1.7660   1.5600   0.021068034  -0.322181743
   84   0.5000   0.0300   0.450000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    61   268.000  1.529
   33    38   317.000  1.510
   37    40   465.000  1.376
   37    42   317.000  1.510
   40    41   745.000  1.250
   40    48   270.000  1.512
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    61   268.000  1.529
   61    64   268.000  1.529
   61    68   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
   38    39   340.000  1.080
   38    46   549.000  1.340
   46    47   340.000  1.080
   46    51   380.000  1.444
   51    55   549.000  1.340
   51    57   317.000  1.510
   55    56   340.000  1.080
   55    62   380.000  1.444
   62    63   340.000  1.080
   62    72   549.000  1.340
   72    73   340.000  1.080
   72    74   380.000  1.444
   74    75   549.000  1.340
   74    77   317.000  1.510
   75    76   340.000  1.080
   75    81   410.000  1.444
   81    82   570.000  1.229
   81    83   450.000  1.364
   83    84   553.000  0.945
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    61    75.00000  111.63000
   29    33    38    75.00000  112.20000
   33    37    40    70.00000  124.00000
   33    37    42    65.00000  117.92700
   33    61    52    58.35000  112.70000
   33    61    64    58.35000  112.70000
   33    61    68    58.35000  112.70000
   33    38    39    35.00000  117.00000
   33    38    46    70.00000  124.00000
   37    40    41    65.00000  137.10300
   37    40    48    65.00000  122.18000
   37    42    43    35.00000  109.50000
   37    42    44    35.00000  109.50000
   37    42    45    35.00000  109.50000
   40    48    49    45.00000  110.52000
   40    48    50    45.00000  110.52000
   40    48    52    70.00000  112.02700
   48    40    41    85.00000  112.85300
   48    52    53    37.50000  110.70000
   48    52    54    37.50000  110.70000
   48    52    61    58.35000  112.70000
   50    48    49    33.00000  107.80000
   52    48    49    37.50000  110.70000
   52    48    50    37.50000  110.70000
   52    61    64    58.35000  112.70000
   52    61    68    58.35000  112.70000
   54    52    53    33.00000  107.80000
   61    33    37    70.00000  112.02700
   61    52    53    37.50000  110.70000
   61    52    54    37.50000  110.70000
   61    64    65    37.50000  110.70000
   61    64    66    37.50000  110.70000
   61    64    67    37.50000  110.70000
   61    68    69    37.50000  110.70000
   61    68    70    37.50000  110.70000
   61    68    71    37.50000  110.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   68    61    64    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   42    37    40    70.00000  124.00000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
   38    33    37    70.00000  110.12100
   38    33    61    70.00000  112.02700
   38    46    47    35.00000  120.00000
   38    46    51    70.00000  123.01800
   46    38    39    35.00000  120.00000
   46    51    55    70.00000  123.01800
   46    51    57    70.00000  124.00000
   51    46    47    35.00000  120.00000
   51    55    56    35.00000  120.00000
   51    55    62    70.00000  123.01800
   51    57    58    35.00000  109.50000
   51    57    59    35.00000  109.50000
   51    57    60    35.00000  109.50000
   55    62    63    35.00000  120.00000
   55    62    72    70.00000  123.01800
   62    55    56    35.00000  120.00000
   62    72    73    35.00000  120.00000
   62    72    74    70.00000  123.01800
   72    62    63    35.00000  120.00000
   72    74    75    70.00000  123.01800
   72    74    77    70.00000  124.00000
   74    72    73    35.00000  120.00000
   74    75    76    35.00000  120.00000
   74    75    81    70.00000  118.70000
   74    77    78    35.00000  109.50000
   74    77    79    35.00000  109.50000
   74    77    80    35.00000  109.50000
   75    81    82    80.00000  125.30000
   75    81    83    90.00000  111.55000
   81    75    76    35.00000  119.70000
   81    83    84    35.00000  113.00000
   83    81    82   100.00000  123.32000
   77    74    75    70.00000  124.00000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   57    51    55    70.00000  124.00000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    61   0.01700  1.0 1.0
   24    29    33    61  -0.23550 -1.0 2.0
   24    29    33    61   0.21350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    37    42   0.30250  1.0 1.0
   29    33    37    42  -0.14950 -1.0 2.0
   29    33    37    42   0.36900  1.0 3.0
   29    33    61    52   0.44750  1.0 1.0
   29    33    61    52  -0.17800 -1.0 2.0
   29    33    61    52   0.20200  1.0 3.0
   29    33    61    64   0.44750  1.0 1.0
   29    33    61    64  -0.17800 -1.0 2.0
   29    33    61    64   0.20200  1.0 3.0
   29    33    61    68   0.44750  1.0 1.0
   29    33    61    68  -0.17800 -1.0 2.0
   29    33    61    68   0.20200  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    46   0.42700  1.0 1.0
   29    33    38    46  -0.70350 -1.0 2.0
   29    33    38    46  -0.43150  1.0 3.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37    40    48   7.00000 -1.0 2.0
   33    37    42    43   0.34800  1.0 3.0
   33    37    42    44   0.34800  1.0 3.0
   33    37    42    45   0.34800  1.0 3.0
   33    61    64    65   0.15000  1.0 3.0
   33    61    64    66   0.15000  1.0 3.0
   33    61    64    67   0.15000  1.0 3.0
   33    61    68    69   0.15000  1.0 3.0
   33    61    68    70   0.15000  1.0 3.0
   33    61    68    71   0.15000  1.0 3.0
   33    38    46    47   7.00000 -1.0 2.0
   33    38    46    51   7.00000 -1.0 2.0
   37    33    61    52   0.34400  1.0 1.0
   37    33    61    52   0.09450 -1.0 2.0
   37    33    61    52   0.11100  1.0 3.0
   37    33    61    64   0.34400  1.0 1.0
   37    33    61    64   0.09450 -1.0 2.0
   37    33    61    64   0.11100  1.0 3.0
   37    33    61    68   0.34400  1.0 1.0
   37    33    61    68   0.09450 -1.0 2.0
   37    33    61    68   0.11100  1.0 3.0
   37    33    38    39   0.00000  1.0 1.0
   37    33    38    46  -0.28300  1.0 1.0
   37    33    38    46   0.26700 -1.0 2.0
   37    33    38    46  -0.63300  1.0 3.0
   37    40    48    49   0.00000  1.0 1.0
   37    40    48    50   0.00000  1.0 1.0
   37    40   -48    52   0.09850  1.0 1.0
   37    40   -48    52   0.15250 -1.0 2.0
   37    40   -48    52  -0.50650  1.0 3.0
   40    37    42    43   0.00000  1.0 1.0
   40    37    42    44   0.00000  1.0 1.0
   40    37    42    45   0.00000  1.0 1.0
   40    48    52    53   0.15000  1.0 3.0
   40    48    52    54   0.15000  1.0 3.0
   40    48    52    61   0.34400  1.0 1.0
   40    48    52    61   0.09450 -1.0 2.0
   40    48    52    61   0.11100  1.0 3.0
   41    40    48    49   0.00000  1.0 1.0
   41    40    48    50   0.00000  1.0 1.0
   41    40    48    52   0.09700  1.0 1.0
   41    40    48    52   0.15600 -1.0 2.0
   41    40    48    52  -0.50800  1.0 3.0
   48    52   -61    33   0.56750  1.0 1.0
   48    52   -61    33  -0.07550 -1.0 2.0
   48    52   -61    33   0.20000  1.0 3.0
   48    52    61    64   0.56750  1.0 1.0
   48    52    61    64  -0.07550 -1.0 2.0
   48    52    61    64   0.20000  1.0 3.0
   48    52    61    68   0.56750  1.0 1.0
   48    52    61    68  -0.07550 -1.0 2.0
   48    52    61    68   0.20000  1.0 3.0
   49    48    52    53   0.15000  1.0 3.0
   49    48    52    54   0.15000  1.0 3.0
   49    48    52    61   0.15000  1.0 3.0
   50    48    52    53   0.15000  1.0 3.0
   50    48    52    54   0.15000  1.0 3.0
   50    48    52    61   0.15000  1.0 3.0
   52    61    64    65   0.15000  1.0 3.0
   52    61    64    66   0.15000  1.0 3.0
   52    61    64    67   0.15000  1.0 3.0
   52    61    68    69   0.15000  1.0 3.0
   52    61    68    70   0.15000  1.0 3.0
   52    61    68    71   0.15000  1.0 3.0
   53    52    61    33   0.15000  1.0 3.0
   53    52    61    64   0.15000  1.0 3.0
   53    52    61    68   0.15000  1.0 3.0
   54    52    61    33   0.15000  1.0 3.0
   54    52    61    64   0.15000  1.0 3.0
   54    52    61    68   0.15000  1.0 3.0
   61    33   -37    40   0.09850  1.0 1.0
   61    33   -37    40   0.15250 -1.0 2.0
   61    33   -37    40  -0.50650  1.0 3.0
   61    33    37    42   0.46850  1.0 1.0
   61    33    37    42   0.08550 -1.0 2.0
   61    33    37    42   0.09800  1.0 3.0
   61    33    38    39   0.00000  1.0 1.0
   61    33    38    46   0.09850  1.0 1.0
   61    33    38    46   0.15250 -1.0 2.0
   61    33    38    46  -0.50650  1.0 3.0
   64    61    68    69   0.15000  1.0 3.0
   64    61    68    70   0.15000  1.0 3.0
   64    61    68    71   0.15000  1.0 3.0
   68    61    64    65   0.15000  1.0 3.0
   68    61    64    66   0.15000  1.0 3.0
   68    61    64    67   0.15000  1.0 3.0
   42    37    40    41   7.00000 -1.0 2.0
   42    37    40    48   7.00000 -1.0 2.0
   38    33    37    40  -0.28300  1.0 1.0
   38    33    37    40   0.26700 -1.0 2.0
   38    33    37    40  -0.63300  1.0 3.0
   38    33    37    42   0.09700  1.0 1.0
   38    33    37    42   0.15600 -1.0 2.0
   38    33    37    42  -0.50800  1.0 3.0
   38    33    61    52   0.34400  1.0 1.0
   38    33    61    52   0.09450 -1.0 2.0
   38    33    61    52   0.11100  1.0 3.0
   38    33    61    64   0.34400  1.0 1.0
   38    33    61    64   0.09450 -1.0 2.0
   38    33    61    64   0.11100  1.0 3.0
   38    33    61    68   0.34400  1.0 1.0
   38    33    61    68   0.09450 -1.0 2.0
   38    33    61    68   0.11100  1.0 3.0
   38    46    51    55   0.28850  1.0 1.0
   38    46    51    55   2.61350 -1.0 2.0
   38    46    51    55   0.78400  1.0 3.0
   38    46    51    57  -0.18600  1.0 3.0
   39    38    46    47   7.00000 -1.0 2.0
   39    38    46    51   7.00000 -1.0 2.0
   46    51    55    56   7.00000 -1.0 2.0
   46    51    55    62   7.00000 -1.0 2.0
   46    51    57    58   0.00000  1.0 1.0
   46    51    57    59   0.00000  1.0 1.0
   46    51    57    60   0.00000  1.0 1.0
   47    46    51    55  -0.18600  1.0 3.0
   47    46    51    57   0.00000  1.0 1.0
   51    55    62    63  -0.18600  1.0 3.0
   51    55    62    72   0.28850  1.0 1.0
   51    55    62    72   2.61350 -1.0 2.0
   51    55    62    72   0.78400  1.0 3.0
   55    51    57    58   0.00000  1.0 1.0
   55    51    57    59   0.00000  1.0 1.0
   55    51    57    60   0.00000  1.0 1.0
   55    62    72    73   7.00000 -1.0 2.0
   55    62    72    74   7.00000 -1.0 2.0
   56    55    62    63   0.00000  1.0 1.0
   56    55    62    72  -0.18600  1.0 3.0
   62    72    74    75   0.28850  1.0 1.0
   62    72    74    75   2.61350 -1.0 2.0
   62    72    74    75   0.78400  1.0 3.0
   62    72    74    77  -0.18600  1.0 3.0
   63    62    72    73   7.00000 -1.0 2.0
   63    62    72    74   7.00000 -1.0 2.0
   72    74    75    76   7.00000 -1.0 2.0
   72    74    75    81   7.00000 -1.0 2.0
   72    74    77    78   0.00000  1.0 1.0
   72    74    77    79   0.00000  1.0 1.0
   72    74    77    80   0.00000  1.0 1.0
   73    72    74    75  -0.18600  1.0 3.0
   73    72    74    77   0.00000  1.0 1.0
   74    75    81    82   1.00000 -1.0 2.0
   74    75    81    83  -0.01000  1.0 1.0
   74    75    81    83   1.29850 -1.0 2.0
   74    75    81    83  -0.09550  1.0 3.0
   75    74    77    78   0.00000  1.0 1.0
   75    74    77    79   0.00000  1.0 1.0
   75    74    77    80   0.00000  1.0 1.0
   75    81    83    84   1.22000  1.0 1.0
   75    81    83    84   0.17300 -1.0 2.0
   76    75    81    82   0.00000  1.0 1.0
   76    75    81    83   0.81850 -1.0 2.0
   82    81    83    84   0.92200  1.0 1.0
   82    81    83    84   3.74100 -1.0 2.0
   77    74    75    76   7.00000 -1.0 2.0
   77    74    75    81   7.00000 -1.0 2.0
   57    51    55    56   7.00000 -1.0 2.0
   57    51    55    62   7.00000 -1.0 2.0
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
   36    30    34    35  10.50000 -1.0 2.0
   33    42    37    40   1.10000 -1.0 2.0
   48    41    40    37   1.10000 -1.0 2.0
   33    39    38    46  15.00000 -1.0 2.0
   51    47    46    38  15.00000 -1.0 2.0
   46    57    51    55  15.00000 -1.0 2.0
   62    56    55    51  15.00000 -1.0 2.0
   55    63    62    72  15.00000 -1.0 2.0
   74    73    72    62  15.00000 -1.0 2.0
   72    77    74    75  15.00000 -1.0 2.0
   81    76    75    74  15.00000 -1.0 2.0
   75    83    81    82  10.50000 -1.0 2.0
END
