* LIGAND DATABASE FILE (OPLS2005)
*
001      89    88    148    215     426
    1     0 S   NP   _N1_     1    31.23077   102.18880   -21.98138
    2     1 S   H    _HN1     2     1.02888    82.65727   165.30140
    3     1 S   H    _H1_     3     1.03490   146.18238   -83.69888
    4     1 S   H    _H2_     4     1.02760    39.32986   -65.32365
    5     1 S   CT   _CA1     5     1.50602    93.42197    55.38432
    6     5 S   HC   _HA1     6     1.09661   104.19754   147.21475
    7     5 S   CO3  _C1_     7     1.54287   111.87492    31.63073
    8     7 S   O2Z  _O11     8     1.26026   116.56422  -138.94807
    9     7 S   O2Z  _O12     9     1.26610   113.96298    41.07158
   10     5 S   CT   _CB1    10     1.53149   106.78766   -96.45783
   11    10 S   HC   HB11    11     1.09600   109.56155   -36.12680
   12    10 S   HC   HB12    12     1.09799   110.19777    79.42807
   13    10 S   CT   _CG1    13     1.53248   113.15644  -158.42149
   14    13 S   HC   HG11    14     1.09508   111.22024   -92.14147
   15    13 S   HC   HG12    15     1.09534   111.19709    27.28403
   16    13 S   C    _CD1    16     1.51576   109.39970   147.97126
   17    16 S   O    _OE1    17     1.22799   121.80927    84.25059
   18    16 S   N    _N2_    18     1.38531   112.58181   -92.33920
   19    18 S   H    _HN2    19     1.01564   119.12441    -5.04162
   20    18 S   CT1  _CA2    20     1.46268   123.62749   172.31385
   21    20 S   HC   _HA2    21     1.09712   109.25790   -11.12399
   22    20 S   C    _C2_    22     1.53813   108.50852  -126.72563
   23    22 S   O    _O2_    23     1.23056   122.19853  -155.14787
   24    20 S   CT   _CB2    32     1.53311   111.72129   111.52277
   25    24 S   HC   HB21    33     1.09413   109.64885    56.06293
   26    24 S   HC   HB22    34     1.09520   110.61709   173.87049
   27    22 S   N    _N3_    24     1.38352   113.90367    31.67757
   28    27 S   H    _HN3    25     1.01457   119.11591    -1.74091
   29    24 S   S    _SG2    35     1.82707   111.97770   -67.21465
   30    27 S   CT   _CA3    26     1.45329   123.46107   178.29269
   31    30 S   HC   HA31    27     1.09548   107.18280   -71.48641
   32    30 S   HC   HA32    28     1.09552   108.30846    44.93575
   33    29 S   CT   _C17    36     1.84365   100.06648   137.76586
   34    33 S   HC   _H3_    37     1.09489   104.98381    45.12558
   35    30 S   CO3  _C3_    29     1.53037   114.26720   167.03044
   36    35 S   O2Z  _O31    30     1.26442   116.27375    -6.70832
   37    35 S   O2Z  _O32    31     1.26395   114.47234   173.40590
   38    33 S   CM   _C18    38     1.50540   108.50602   162.38097
   39    38 S   HC   _H20    39     1.09092   117.56028    50.40710
   40    33 S   CM   _C15    43     1.52979   111.49798   -73.95169
   41    38 S   CMA  _C19    40     1.51622   123.10548  -132.82363
   42    41 S   OM   _O33    41     1.26231   119.32455   178.89005
   43    41 S   OM   _O34    42     1.26196   122.34941    -1.31075
   44    40 S   CM   _C14    44     1.35128   121.94628   -56.14056
   45    44 S   HC   _H16    45     1.08981   117.89306    -0.45970
   46    40 S   CT   _C16    86     1.50916   113.45162   125.32562
   47    46 S   HC   _H17    87     1.09450   110.29380   -62.82561
   48    46 S   HC   _H18    88     1.09137   114.05468   176.42763
   49    46 S   HC   _H19    89     1.09522   109.95593    56.49654
   50    44 S   CM   _C13    46     1.44751   127.67575   179.08764
   51    50 S   HC   _H15    47     1.08451   118.32261    -2.22546
   52    50 S   CM   _C12    48     1.34340   122.56611   178.29051
   53    52 S   HC   _H14    49     1.08853   120.04764    -2.00993
   54    52 S   CM   _C10    50     1.45975   124.64291   179.43248
   55    54 S   CM   _C9_    51     1.34831   120.69717   -51.07220
   56    55 S   HC   _H10    52     1.09022   118.25844     0.27836
   57    54 S   CT   _C11    82     1.50522   113.15659   131.38299
   58    57 S   HC   _H11    83     1.09595   110.46278    59.52498
   59    57 S   HC   _H12    84     1.09201   113.67708   179.84934
   60    57 S   HC   _H13    85     1.09597   110.23034   -60.04205
   61    55 S   CM   _C8_    53     1.44860   127.27967  -178.94353
   62    61 S   HC   _H9_    54     1.08491   118.22354    -2.88690
   63    61 S   CM   _C7_    55     1.34315   122.52275   176.72900
   64    63 S   HC   _H8_    56     1.08502   119.07304    -0.11535
   65    63 S   CM   _C6_    57     1.44867   122.88667  -179.62938
   66    65 S   HC   _H7_    58     1.09018   114.52958    -2.90191
   67    65 S   CM   _C5_    59     1.34869   127.06641   176.55861
   68    67 S   CM   _C20    60     1.46078   121.00718  -179.30058
   69    68 S   HC   _H21    61     1.08861   115.18262   133.04133
   70    67 S   CT   _C4_    78     1.50635   125.93710    -2.08281
   71    70 S   HC   _H4_    79     1.09599   110.44891  -117.99430
   72    70 S   HC   _H5_    80     1.09195   113.78828     2.28053
   73    70 S   HC   _H6_    81     1.09598   110.21485   122.44622
   74    68 S   CM   _C21    62     1.34375   124.86218   -48.91145
   75    74 S   HC   _H22    63     1.08450   119.02866     0.38816
   76    74 S   CM   _C22    64     1.44969   122.63725  -179.14545
   77    76 S   HC   _H23    65     1.09080   114.03472    -0.07402
   78    76 S   CM   _C23    66     1.35070   127.70388   179.90721
   79    78 S   CM   _C25    67     1.46767   118.21186  -179.94065
   80    79 S   HC   _H27    68     1.08943   115.22795    -0.09065
   81    78 S   CT   _C24    74     1.50849   124.55881     0.07133
   82    81 S   HC   _H24    75     1.09580   110.48624  -119.64471
   83    81 S   HC   _H25    76     1.09181   113.85110     0.19383
   84    81 S   HC   _H26    77     1.09582   110.48937   119.97379
   85    79 S   CM   _C26    69     1.34214   126.62684   179.88986
   86    85 S   HC   _H28    70     1.08792   120.80846    -0.00000
   87    85 S   CO3  _C27    71     1.53567   121.86670  -180.00000
   88    87 S   O2Z  _O36    72     1.26251   117.02826    -0.06853
   89    87 S   O2Z  _O35    73     1.26624   113.86771   179.93439
  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
  14   6   2   1   1   7   4  10   2   1   1  10   4   4   2   1
   1   6   3   9   3   9  10   4   4   2   1   1   6   3   6   3
   9   3   9  10   4   4   2   1   1   6   3   9   3   9  10   4
   4   2   1   1   4   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    41    40    44    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    41    42    43    40    44    45    50    46    47    48    49  
   38    39    41    40    44    46  
   36    37  
   37  
    0  
   39    41    42    43    40    44    46  
   41    42    43    40  
   44    45    50    51    52    46    47    48    49    41  
   42    43  
   43  
    0  
   45    50    51    52    53    54    46    47    48    49  
   50    51    52    46  
   47    48    49    50  
   48    49  
   49  
    0  
   51    52    53    54    55    57  
   52    53    54  
   53    54    55    56    61    57    58    59    60  
   54    55    57  
   55    56    61    62    63    57    58    59    60  
   56    61    62    63    64    65    57    58    59    60  
   61    62    63    57  
   58    59    60    61  
   59    60  
   60  
    0  
   62    63    64    65    66    67  
   63    64    65  
   64    65    66    67    68    70  
   65    66    67  
   66    67    68    69    74    70    71    72    73  
   67    68    70  
   68    69    74    75    76    70    71    72    73  
   69    74    75    76    77    78    70    71    72    73  
   74    75    76    70  
   71    72    73    74  
   72    73  
   73  
    0  
   75    76    77    78    79    81  
   76    77    78  
   77    78    79    80    85    81    82    83    84  
   78    79    81  
   79    80    85    86    87    81    82    83    84  
   80    85    86    87    88    89    81    82    83    84  
   85    86    87    81  
   82    83    84    85  
   83    84  
   84  
    0  
   86    87    88    89  
   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  -0.335000   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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.716200   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   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   43   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   44   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   66   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   68   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   79   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   80   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.425300   2.0020   1.7750   0.023028004  -0.852763146
   86   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   87   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   88   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   89   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
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   340.000  1.090
   33    38   317.000  1.510
   33    40   317.000  1.510
   38    39   340.000  1.080
   38    41   465.000  1.376
   41    42   745.000  1.250
   41    43   745.000  1.250
   40    44   549.000  1.340
   40    46   317.000  1.510
   44    45   340.000  1.080
   44    50   380.000  1.444
   50    51   340.000  1.080
   50    52   549.000  1.340
   52    53   340.000  1.080
   52    54   380.000  1.444
   54    55   549.000  1.340
   54    57   317.000  1.510
   55    56   340.000  1.080
   55    61   380.000  1.444
   61    62   340.000  1.080
   61    63   549.000  1.340
   63    64   340.000  1.080
   63    65   380.000  1.444
   65    66   340.000  1.080
   65    67   549.000  1.340
   67    68   380.000  1.444
   67    70   317.000  1.510
   68    69   340.000  1.080
   68    74   549.000  1.340
   74    75   340.000  1.080
   74    76   380.000  1.444
   76    77   340.000  1.080
   76    78   549.000  1.340
   78    79   380.000  1.444
   78    81   317.000  1.510
   79    80   340.000  1.080
   79    85   549.000  1.340
   85    86   340.000  1.080
   85    87   230.000  1.545
   87    88   656.000  1.250
   87    89   656.000  1.250
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   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    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    40    75.00000  112.20000
   33    38    39    35.00000  117.00000
   33    38    41    70.00000  124.00000
   33    40    44    70.00000  124.00000
   33    40    46    65.00000  117.92700
   38    33    34    35.00000  109.50000
   38    41    42    65.00000  137.10300
   38    41    43    65.00000  137.10300
   41    38    39    40.00000  120.50800
   43    41    42    65.00000  121.00000
   40    33    34    35.00000  109.50000
   40    33    38    70.00000  110.12100
   40    44    45    35.00000  120.00000
   40    44    50    70.00000  123.01800
   40    46    47    35.00000  109.50000
   40    46    48    35.00000  109.50000
   40    46    49    35.00000  109.50000
   44    50    51    35.00000  120.00000
   44    50    52    70.00000  123.01800
   50    44    45    35.00000  120.00000
   50    52    53    35.00000  120.00000
   50    52    54    70.00000  123.01800
   52    50    51    35.00000  120.00000
   52    54    55    70.00000  123.01800
   52    54    57    70.00000  124.00000
   54    52    53    35.00000  120.00000
   54    55    56    35.00000  120.00000
   54    55    61    70.00000  123.01800
   54    57    58    35.00000  109.50000
   54    57    59    35.00000  109.50000
   54    57    60    35.00000  109.50000
   55    61    62    35.00000  120.00000
   55    61    63    70.00000  123.01800
   61    55    56    35.00000  120.00000
   61    63    64    35.00000  120.00000
   61    63    65    70.00000  123.01800
   63    61    62    35.00000  120.00000
   63    65    66    35.00000  120.00000
   63    65    67    70.00000  123.01800
   65    63    64    35.00000  120.00000
   65    67    68    70.00000  123.01800
   65    67    70    70.00000  124.00000
   67    65    66    35.00000  120.00000
   67    68    69    35.00000  120.00000
   67    68    74    70.00000  123.01800
   67    70    71    35.00000  109.50000
   67    70    72    35.00000  109.50000
   67    70    73    35.00000  109.50000
   68    74    75    35.00000  120.00000
   68    74    76    70.00000  123.01800
   74    68    69    35.00000  120.00000
   74    76    77    35.00000  120.00000
   74    76    78    70.00000  123.01800
   76    74    75    35.00000  120.00000
   76    78    79    70.00000  123.01800
   76    78    81    70.00000  124.00000
   78    76    77    35.00000  120.00000
   78    79    80    35.00000  120.00000
   78    79    85    70.00000  123.01800
   78    81    82    35.00000  109.50000
   78    81    83    35.00000  109.50000
   78    81    84    35.00000  109.50000
   79    85    86    35.00000  120.00000
   79    85    87    55.00000  124.75400
   85    79    80    35.00000  120.00000
   85    87    88    85.00000  113.83300
   85    87    89    85.00000  113.83300
   87    85    86    40.00000  118.53000
   89    87    88    80.00000  126.00000
   81    78    79    70.00000  124.00000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   70    67    68    70.00000  124.00000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   57    54    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
   46    40    44    70.00000  124.00000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    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   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    40  -0.62250  1.0 1.0
   24    29    33    40  -0.38450 -1.0 2.0
   24    29    33    40   0.81900  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    40    44   0.42700  1.0 1.0
   29    33    40    44  -0.70350 -1.0 2.0
   29    33    40    44  -0.43150  1.0 3.0
   29    33    40    46   0.30250  1.0 1.0
   29    33    40    46  -0.14950 -1.0 2.0
   29    33    40    46   0.36900  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    43   7.00000 -1.0 2.0
   33    40    44    45   7.00000 -1.0 2.0
   33    40    44    50   7.00000 -1.0 2.0
   33    40    46    47   0.34800  1.0 3.0
   33    40    46    48   0.34800  1.0 3.0
   33    40    46    49   0.34800  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    40    44   0.00000  1.0 1.0
   34    33    40    46   0.34800  1.0 3.0
   38    33    40    44  -0.28300  1.0 1.0
   38    33    40    44   0.26700 -1.0 2.0
   38    33    40    44  -0.63300  1.0 3.0
   38    33    40    46   0.09700  1.0 1.0
   38    33    40    46   0.15600 -1.0 2.0
   38    33    40    46  -0.50800  1.0 3.0
   39    38    41    42   7.00000 -1.0 2.0
   39    38    41    43   7.00000 -1.0 2.0
   40    33    38    39   0.00000  1.0 1.0
   40    33    38    41  -0.28300  1.0 1.0
   40    33    38    41   0.26700 -1.0 2.0
   40    33    38    41  -0.63300  1.0 3.0
   40    44    50    51  -0.18600  1.0 3.0
   40    44    50    52   0.28850  1.0 1.0
   40    44    50    52   2.61350 -1.0 2.0
   40    44    50    52   0.78400  1.0 3.0
   44    40    46    47   0.00000  1.0 1.0
   44    40    46    48   0.00000  1.0 1.0
   44    40    46    49   0.00000  1.0 1.0
   44    50    52    53   7.00000 -1.0 2.0
   44    50    52    54   7.00000 -1.0 2.0
   45    44    50    51   0.00000  1.0 1.0
   45    44    50    52  -0.18600  1.0 3.0
   50    52    54    55   0.28850  1.0 1.0
   50    52    54    55   2.61350 -1.0 2.0
   50    52    54    55   0.78400  1.0 3.0
   50    52    54    57  -0.18600  1.0 3.0
   51    50    52    53   7.00000 -1.0 2.0
   51    50    52    54   7.00000 -1.0 2.0
   52    54    55    56   7.00000 -1.0 2.0
   52    54    55    61   7.00000 -1.0 2.0
   52    54    57    58   0.00000  1.0 1.0
   52    54    57    59   0.00000  1.0 1.0
   52    54    57    60   0.00000  1.0 1.0
   53    52    54    55  -0.18600  1.0 3.0
   53    52    54    57   0.00000  1.0 1.0
   54    55    61    62  -0.18600  1.0 3.0
   54    55    61    63   0.28850  1.0 1.0
   54    55    61    63   2.61350 -1.0 2.0
   54    55    61    63   0.78400  1.0 3.0
   55    54    57    58   0.00000  1.0 1.0
   55    54    57    59   0.00000  1.0 1.0
   55    54    57    60   0.00000  1.0 1.0
   55    61    63    64   7.00000 -1.0 2.0
   55    61    63    65   7.00000 -1.0 2.0
   56    55    61    62   0.00000  1.0 1.0
   56    55    61    63  -0.18600  1.0 3.0
   61    63    65    66  -0.18600  1.0 3.0
   61    63    65    67   0.28850  1.0 1.0
   61    63    65    67   2.61350 -1.0 2.0
   61    63    65    67   0.78400  1.0 3.0
   62    61    63    64   7.00000 -1.0 2.0
   62    61    63    65   7.00000 -1.0 2.0
   63    65    67    68   7.00000 -1.0 2.0
   63    65    67    70   7.00000 -1.0 2.0
   64    63    65    66   0.00000  1.0 1.0
   64    63    65    67  -0.18600  1.0 3.0
   65    67    68    69  -0.18600  1.0 3.0
   65    67    68    74   0.28850  1.0 1.0
   65    67    68    74   2.61350 -1.0 2.0
   65    67    68    74   0.78400  1.0 3.0
   65    67    70    71   0.00000  1.0 1.0
   65    67    70    72   0.00000  1.0 1.0
   65    67    70    73   0.00000  1.0 1.0
   66    65    67    68   7.00000 -1.0 2.0
   66    65    67    70   7.00000 -1.0 2.0
   67    68    74    75   7.00000 -1.0 2.0
   67    68    74    76   7.00000 -1.0 2.0
   68    67    70    71   0.00000  1.0 1.0
   68    67    70    72   0.00000  1.0 1.0
   68    67    70    73   0.00000  1.0 1.0
   68    74    76    77  -0.18600  1.0 3.0
   68    74    76    78   0.28850  1.0 1.0
   68    74    76    78   2.61350 -1.0 2.0
   68    74    76    78   0.78400  1.0 3.0
   69    68    74    75   7.00000 -1.0 2.0
   69    68    74    76   7.00000 -1.0 2.0
   74    76    78    79   7.00000 -1.0 2.0
   74    76    78    81   7.00000 -1.0 2.0
   75    74    76    77   0.00000  1.0 1.0
   75    74    76    78  -0.18600  1.0 3.0
   76    78    79    80  -0.18600  1.0 3.0
   76    78    79    85   0.28850  1.0 1.0
   76    78    79    85   2.61350 -1.0 2.0
   76    78    79    85   0.78400  1.0 3.0
   76    78    81    82   0.00000  1.0 1.0
   76    78    81    83   0.00000  1.0 1.0
   76    78    81    84   0.00000  1.0 1.0
   77    76    78    79   7.00000 -1.0 2.0
   77    76    78    81   7.00000 -1.0 2.0
   78    79    85    86   7.00000 -1.0 2.0
   78    79    85    87   7.00000 -1.0 2.0
   79    78    81    82   0.00000  1.0 1.0
   79    78    81    83   0.00000  1.0 1.0
   79    78    81    84   0.00000  1.0 1.0
   79    85    87    88  -0.04000 -1.0 2.0
   79    85    87    88  -0.29050  1.0 3.0
   79    85    87    89  -0.04000 -1.0 2.0
   79    85    87    89  -0.29050  1.0 3.0
   80    79    85    86   7.00000 -1.0 2.0
   80    79    85    87   7.00000 -1.0 2.0
   86    85    87    88   0.00000  1.0 1.0
   86    85    87    89   0.00000  1.0 1.0
   81    78    79    80   0.00000  1.0 1.0
   81    78    79    85  -0.18600  1.0 3.0
   70    67    68    69   0.00000  1.0 1.0
   70    67    68    74  -0.18600  1.0 3.0
   57    54    55    56   7.00000 -1.0 2.0
   57    54    55    61   7.00000 -1.0 2.0
   46    40    44    45   7.00000 -1.0 2.0
   46    40    44    50   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    41  15.00000 -1.0 2.0
   42    43    41    38  15.00000 -1.0 2.0
   33    46    40    44  15.00000 -1.0 2.0
   50    45    44    40  15.00000 -1.0 2.0
   44    51    50    52  15.00000 -1.0 2.0
   54    53    52    50  15.00000 -1.0 2.0
   52    57    54    55  15.00000 -1.0 2.0
   61    56    55    54  15.00000 -1.0 2.0
   55    62    61    63  15.00000 -1.0 2.0
   65    64    63    61  15.00000 -1.0 2.0
   63    66    65    67  15.00000 -1.0 2.0
   68    70    67    65  15.00000 -1.0 2.0
   67    69    68    74  15.00000 -1.0 2.0
   76    75    74    68  15.00000 -1.0 2.0
   74    77    76    78  15.00000 -1.0 2.0
   79    81    78    76  15.00000 -1.0 2.0
   78    80    79    85  15.00000 -1.0 2.0
   87    86    85    79  15.00000 -1.0 2.0
   88    85    87    89  10.50000 -1.0 2.0
END
