* LIGAND DATABASE FILE (OPLS2005)
*
001      83    86    161    254     471
    1     0 S   NP   _N1_     1    29.01097    98.15330   -23.29271
    2     1 S   H    _HN1     2     1.02781   109.84584  -106.49864
    3     1 S   H    _H1_     3     1.02951    61.20760    -5.88483
    4     1 S   H    _H2_     4     1.02831    47.55327   157.03005
    5     1 S   CT   _CA1     5     1.50101   137.33651    83.58078
    6     5 S   HC   _HA1     6     1.09581   105.19031   108.26059
    7     5 S   CO3  _C1_     7     1.53768   112.56115   -11.91259
    8     7 S   O2Z  _O11     8     1.26370   114.99421   -41.12227
    9     7 S   O2Z  _O12     9     1.26244   114.93190   138.09130
   10     5 S   CT   _CB1    10     1.53095   107.44762  -133.79161
   11    10 S   HC   HB11    11     1.09826   109.28522   -50.55447
   12    10 S   HC   HB12    12     1.09808   110.50338    66.06667
   13    10 S   CT   _CG1    13     1.52932   112.54571  -171.57783
   14    13 S   HC   HG11    14     1.09591   110.61434   -67.02260
   15    13 S   HC   HG12    15     1.09685   109.76308    52.11265
   16    13 S   C    _CD1    16     1.51784   112.41558   172.49224
   17    16 S   O    _OE1    17     1.22698   123.57493     5.81426
   18    16 S   N    _N2_    18     1.38522   111.44423  -173.80980
   19    18 S   H    _HN2    19     1.01592   118.96519    -2.64612
   20    18 S   CT1  _CA2    20     1.46077   123.15809   177.79620
   21    20 S   HC   _HA2    21     1.09707   108.47652    34.86402
   22    20 S   C    _C2_    22     1.53283   110.55561   -82.20692
   23    22 S   O    _O2_    23     1.23110   121.06919   163.12614
   24    20 S   CT   _CB2    32     1.53209   111.11915   157.73674
   25    24 S   HC   HB21    33     1.09536   109.93762    57.55692
   26    24 S   HC   HB22    34     1.09541   110.62562   175.84895
   27    22 S   N    _N3_    24     1.37997   114.50868   -23.44012
   28    27 S   H    _HN3    25     1.01543   119.23116     6.97938
   29    24 S   S    _SG2    35     1.82603   111.11126   -64.48624
   30    27 S   CT   _CA3    26     1.45190   123.48939  -176.21111
   31    30 S   HC   HA31    27     1.09529   108.07229   -54.87881
   32    30 S   HC   HA32    28     1.09556   107.49191    61.64735
   33    29 S   CT   _C17    36     1.84375    99.51232   151.99201
   34    33 S   HC   _H3_    37     1.09474   107.78428    33.51507
   35    30 S   CO3  _C3_    29     1.52892   113.65771  -176.42828
   36    35 S   O2Z  _O31    30     1.26404   115.85208    15.44836
   37    35 S   O2Z  _O32    31     1.26374   114.54270  -164.55477
   38    33 S   CT   _C16    38     1.53037   113.41959   157.03514
   39    38 S   HC   _H37    39     1.09848   108.87066  -163.41023
   40    38 S   CO4  _C8_    40     1.51144   101.56630    84.46248
   41    40 S   O    _O21    41     1.22065   126.28177  -159.99321
   42    38 S   CT   _C20    80     1.51951   117.54883   -39.39247
   43    42 S   HC   _H40    81     1.09483   112.56699    70.08680
   44    42 S   HC   _H41    82     1.09455   111.04666   -52.43755
   45    42 S   HC   _H42    83     1.09605   109.97086  -171.55636
   46    40 S   OS   _O23    42     1.37012   109.34881    21.60217
   47    33 S   CO   _C18    43     1.53084   112.59152   -90.37809
   48    47 S   HC   _H39    44     1.10072   108.99540   163.64567
   49    47 S   OS   _O25    45     1.42888   112.94727    42.50161
   50    49 S   CM   _C9_    46     1.37010   112.27918   170.86010
   51    50 S   HC   _H27    47     1.08232   114.28923    28.31212
   52    50 S   CM   _C6_    48     1.33534   122.92033  -152.36569
   53    52 S   CO4  _C7_    49     1.47278   121.25602   179.60238
   54    53 S   O    _O20    50     1.21805   126.73848    -2.83918
   55    53 S   OS   _O22    51     1.35997   107.68856   178.07481
   56    55 S   CT   _C13    52     1.43237   111.81118    -4.25266
   57    56 S   HC   _H34    53     1.09523   109.27732  -112.64625
   58    56 S   CM   _C5_    54     1.49859   111.17202   123.22266
   59    58 S   CM   _C4_    55     1.34083   111.11673  -112.66889
   60    59 S   CT   _C10    56     1.49306   112.87555     2.13185
   61    60 S   HC   _H28    57     1.09548   110.88643   115.06270
   62    60 S   HC   _H29    58     1.09476   110.72984  -124.83059
   63    59 S   CT   _C14    61     1.49093   125.10722  -177.07096
   64    63 S   HC   _H35    62     1.09590   110.01757   133.36867
   65    52 S   CT   _C15    59     1.48371   128.98206     0.26244
   66    65 S   HC   _H36    60     1.09490   111.43194   -55.35214
   67    63 S   CT   _C11    63     1.53389   112.15823    11.72998
   68    67 S   HC   _H30    64     1.09643   110.23240  -161.34614
   69    67 S   HC   _H31    65     1.09608   109.60903    81.06382
   70    63 S   OH   _O24    78     1.42525   107.83313  -109.43804
   71    70 S   HO   _H49    79     0.97216   107.40594  -177.96500
   72    67 S   CT   _C12    66     1.53374   111.71227   -40.18829
   73    72 S   HC   _H32    67     1.09742   109.19032  -178.94575
   74    72 S   HC   _H33    68     1.09899   108.18274   -63.83071
   75    58 S   CT   _C19    69     1.51451   124.81831    68.90223
   76    75 S   CT   _C21    70     1.54051   109.24649    72.01572
   77    76 S   HC   _H43    71     1.09613   111.03870   177.71527
   78    76 S   HC   _H44    72     1.09461   111.97606    57.57518
   79    76 S   HC   _H45    73     1.09622   111.47814   -62.71303
   80    75 S   CT   _C22    74     1.53983   111.98743   -48.01695
   81    80 S   HC   _H46    75     1.09640   110.95224  -174.98265
   82    80 S   HC   _H47    76     1.09576   111.75517    65.62582
   83    80 S   HC   _H48    77     1.09620   111.41598   -55.17548
  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  10   5   4   3
  14   8   2   1   1  11   8   9   3   5   2   1   1   4   5   2
   5   9   3  12   8   3   8  13   6  22  16   9   4   3  11   6
   2   1  10   6   5   2   1  11   4   3   8   7   3   2   1   3
   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    47    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    46    47    48    49    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    46    47    48    49    50    42    43    44    45  
   38    39    40    46    47    48    49    42  
   36    37  
   37  
    0  
   39    40    41    46    47    48    49    42    43    44    45  
   40    41    46    47    42    43    44    45  
   41    46    47    48    49    42    43    44    45  
   46    47    42  
   43    44    45    46    47  
   44    45  
   45  
    0  
   47    48    49    50  
   48    49    50    51    52  
   49    50  
   50    51    52    53    65  
   51    52    53    54    55    56    60    65    66  
   52    53    65  
   53    54    55    56    57    58    59    60    61    62    65    66  
   54    55    56    57    58    60    65    66  
   55    56    65  
   56    57    58    59    60    65    66    75  
   57    58    59    60    61    62    65    66    63    72    75    76    80  
   58    59    60    65    66    75  
   59    60    61    62    65    66    63    64    67    72    73    74    75    76    77    78    79    80    81    82    83    70  
   60    61    62    65    66    63    64    67    68    69    72    75    76    80    70    71  
   61    62    65    66    63    64    67    75    70  
   62    65    66    63  
   65    66    63  
   64    67    68    69    72    73    74    75    70    71    65  
   67    68    69    72    70    71  
   66    75  
    0  
   68    69    72    73    74    75    76    80    70    71  
   69    72    73    74    75    70  
   72    73    74    75    70  
   71    72  
    0  
   73    74    75    76    77    78    79    80    81    82    83  
   74    75    76    80  
   75    76    80  
   76    77    78    79    80    81    82    83  
   77    78    79    80    81    82    83  
   78    79    80  
   79    80  
   80  
   81    82    83  
   82    83  
   83  
    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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   41   2.9600   0.2100  -0.430000   1.6780   1.4800   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   3.0000   0.1700  -0.251400   1.7660   1.5600   0.020110767  -0.896042159
   47   3.5000   0.0660   0.271400   1.9750   1.7500   0.005000000  -0.741685710
   48   2.4200   0.0150   0.100000   1.3810   1.2100   0.008598240   0.268726247
   49   2.8500   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5500   0.0760  -0.030000   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   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   56   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   58   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   71   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   72   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
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   268.000  1.529
   33    47   250.000  1.527
   38    39   340.000  1.090
   38    40   317.000  1.522
   38    42   268.000  1.529
   40    41   570.000  1.229
   40    46   214.000  1.327
   46    47   320.000  1.380
   47    48   340.000  1.090
   47    49   320.000  1.380
   49    50   440.000  1.360
   50    51   340.000  1.080
   50    52   549.000  1.340
   52    53   320.000  1.462
   52    65   317.000  1.510
   53    54   570.000  1.229
   53    55   214.000  1.327
   55    56   320.000  1.410
   56    57   340.000  1.090
   56    58   317.000  1.510
   56    65   268.000  1.529
   58    59   549.000  1.340
   58    75   317.000  1.510
   59    60   317.000  1.510
   59    63   317.000  1.510
   60    61   340.000  1.090
   60    62   340.000  1.090
   60    65   268.000  1.529
   65    66   340.000  1.090
   63    64   340.000  1.090
   63    67   268.000  1.529
   63    70   320.000  1.410
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    72   268.000  1.529
   72    73   340.000  1.090
   72    74   340.000  1.090
   72    75   268.000  1.529
   75    76   268.000  1.529
   75    80   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   70    71   553.000  0.945
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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  111.63000
   29    33    47    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    63.00000  111.10000
   33    38    42    58.35000  112.70000
   33    47    46    90.00000  108.56700
   33    47    48    45.00000  112.01100
   33    47    49    90.00000  108.56700
   38    33    34    37.50000  110.70000
   38    40    41    80.00000  120.40000
   38    40    46    81.00000  111.40000
   38    42    43    37.50000  110.70000
   38    42    44    37.50000  110.70000
   38    42    45    37.50000  110.70000
   40    38    39    35.00000  109.50000
   40    46    47    95.00000  111.08000
   46    40    41    83.00000  123.40000
   46    47    48    35.00000  109.50000
   46    47    49    92.60000  111.55000
   47    33    34    45.00000  108.72000
   47    33    38    75.00000  109.43000
   47    49    50    85.00000  113.97000
   49    47    48    35.00000  109.50000
   49    50    51    55.00000  109.52600
   49    50    52    80.00000  120.01400
   50    52    53    65.00000  118.96000
   50    52    65    70.00000  124.00000
   52    50    51    35.00000  120.00000
   52    53    54    80.00000  123.72100
   52    53    55    90.00000  111.29400
   52    65    56    70.00000  112.02700
   52    65    60    70.00000  112.02700
   52    65    66    35.00000  109.50000
   53    55    56    83.00000  116.90000
   55    53    54    83.00000  123.40000
   55    56    57    35.00000  109.50000
   55    56    58    85.00000  110.90400
   55    56    65    50.00000  109.50000
   56    58    59    70.00000  124.00000
   56    58    75    65.00000  117.92700
   56    65    60    58.35000  112.70000
   56    65    66    37.50000  110.70000
   58    56    57    35.00000  109.50000
   58    59    60    70.00000  124.00000
   58    59    63    70.00000  124.00000
   58    75    72    70.00000  112.02700
   58    75    76    70.00000  112.02700
   58    75    80    70.00000  112.02700
   59    60    61    35.00000  109.50000
   59    60    62    35.00000  109.50000
   59    60    65    70.00000  112.02700
   59    63    64    35.00000  109.50000
   59    63    67    70.00000  112.02700
   59    63    70    90.00000  110.39200
   60    65    66    37.50000  110.70000
   62    60    61    33.00000  107.80000
   65    52    53    65.00000  116.34900
   65    56    57    37.50000  110.70000
   65    56    58    70.00000  112.02700
   65    60    61    37.50000  110.70000
   65    60    62    37.50000  110.70000
   63    59    60    65.00000  117.92700
   63    67    68    37.50000  110.70000
   63    67    69    37.50000  110.70000
   63    67    72    58.35000  112.70000
   63    70    71    55.00000  108.50000
   67    63    64    37.50000  110.70000
   67    72    73    37.50000  110.70000
   67    72    74    37.50000  110.70000
   67    72    75    58.35000  112.70000
   69    67    68    33.00000  107.80000
   72    67    68    37.50000  110.70000
   72    67    69    37.50000  110.70000
   72    75    76    58.35000  112.70000
   72    75    80    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    58    59    70.00000  124.00000
   75    72    73    37.50000  110.70000
   75    72    74    37.50000  110.70000
   75    76    77    37.50000  110.70000
   75    76    78    37.50000  110.70000
   75    76    79    37.50000  110.70000
   75    80    81    37.50000  110.70000
   75    80    82    37.50000  110.70000
   75    80    83    37.50000  110.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   80    75    76    58.35000  112.70000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   70    63    64    35.00000  109.50000
   70    63    67    50.00000  109.50000
   42    38    39    37.50000  110.70000
   42    38    40    63.00000  111.10000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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   0.01700  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    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   0.21350  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   0.56750  1.0 1.0
   29    33    38    40  -0.07550 -1.0 2.0
   29    33    38    40   0.20000  1.0 3.0
   29    33    38    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    47    46   0.56750  1.0 1.0
   29    33    47    46  -0.07550 -1.0 2.0
   29    33    47    46   0.20000  1.0 3.0
   29    33    47    48   0.15000  1.0 3.0
   29    33    47    49   0.56750  1.0 1.0
   29    33    47    49  -0.07550 -1.0 2.0
   29    33    47    49   0.20000  1.0 3.0
   33    38    40    41   0.30150 -1.0 2.0
   33    38   -40    46   0.36750  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    44   0.15000  1.0 3.0
   33    38    42    45   0.15000  1.0 3.0
   33    47    49    50  -0.46850  1.0 1.0
   33    47    49    50   0.09300 -1.0 2.0
   33    47    49    50  -0.12850  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40  -0.11250  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    47    46   0.23400  1.0 3.0
   34    33    47    48   0.15000  1.0 3.0
   34    33    47    49   0.23400  1.0 3.0
   38    33   -47    46   0.62750  1.0 1.0
   38    33   -47    46  -0.30950 -1.0 2.0
   38    33   -47    46   0.27300  1.0 3.0
   38    33    47    48   0.15000  1.0 3.0
   38    33    47    49   0.62750  1.0 1.0
   38    33    47    49  -0.30950 -1.0 2.0
   38    33    47    49   0.27300  1.0 3.0
   38    40   -46    47   1.63150  1.0 1.0
   38    40   -46    47   2.92000 -1.0 2.0
   39    38    40    41   0.00000  1.0 1.0
   39    38    40    46   0.00000  1.0 1.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    44   0.15000  1.0 3.0
   39    38    42    45   0.15000  1.0 3.0
   40    38    42    43  -0.11250  1.0 3.0
   40    38    42    44  -0.11250  1.0 3.0
   40    38    42    45  -0.11250  1.0 3.0
   40    46   -47    33  -2.60950  1.0 1.0
   40    46   -47    33   1.40200 -1.0 2.0
   40    46   -47    33   0.21950  1.0 3.0
   40    46    47    48   0.08050  1.0 3.0
   40    46    47    49  -1.83450  1.0 1.0
   40    46    47    49  -0.02700 -1.0 2.0
   40    46    47    49  -0.20100  1.0 3.0
   41    40    46    47   3.00000 -1.0 2.0
   46    47    49    50  -0.48150  1.0 1.0
   46    47    49    50   0.09250 -1.0 2.0
   46    47    49    50  -0.12850  1.0 3.0
   47    33    38    39   0.15000  1.0 3.0
   47    33   -38    40  -0.95700  1.0 1.0
   47    33   -38    40  -0.18200 -1.0 2.0
   47    33   -38    40   0.29450  1.0 3.0
   47    33    38    42   3.97050  1.0 1.0
   47    49    50    51   0.50000 -1.0 2.0
   47    49    50    52  -2.26850  1.0 1.0
   47    49    50    52   3.39050 -1.0 2.0
   48    47    49    50   0.08050  1.0 3.0
   49    50    52    53   7.00000 -1.0 2.0
   49    50    52    65   7.00000 -1.0 2.0
   50    52    53    54   1.00000 -1.0 2.0
   50    52    53    55  -0.56150  1.0 1.0
   50    52    53    55   2.19150 -1.0 2.0
   50    52    65    56   0.09850  1.0 1.0
   50    52    65    56   0.15250 -1.0 2.0
   50    52    65    56  -0.50650  1.0 3.0
   50    52    65    60   0.09850  1.0 1.0
   50    52    65    60   0.15250 -1.0 2.0
   50    52    65    60  -0.50650  1.0 3.0
   50    52    65    66   0.00000  1.0 1.0
   51    50    52    53   7.00000 -1.0 2.0
   51    50    52    65   7.00000 -1.0 2.0
   52    53   -55    56   2.00000 -1.0 2.0
   53    52   -65    56   0.09700  1.0 1.0
   53    52   -65    56   0.15600 -1.0 2.0
   53    52   -65    56  -0.50800  1.0 3.0
   53    52    65    60   0.09700  1.0 1.0
   53    52    65    60   0.15600 -1.0 2.0
   53    52    65    60  -0.50800  1.0 3.0
   53    52    65    66   0.15000  1.0 3.0
   53    55    56    57   0.08050  1.0 3.0
   53    55    56    58  -0.82050  1.0 1.0
   53    55    56    58   0.00600 -1.0 2.0
   53    55    56    58   0.04400  1.0 3.0
   53    55   -56    65  -0.25900  1.0 1.0
   53    55   -56    65  -0.47000 -1.0 2.0
   53    55   -56    65   0.11750  1.0 3.0
   54    53    55    56   3.00000 -1.0 2.0
   55    56    58    59   0.39000  1.0 1.0
   55    56    58    59  -0.05800 -1.0 2.0
   55    56    58    59  -0.55150  1.0 3.0
   55    56    58    75   0.09700  1.0 1.0
   55    56    58    75   0.15600 -1.0 2.0
   55    56    58    75  -0.50800  1.0 3.0
   55    56   -65    52   0.61850  1.0 1.0
   55    56   -65    52  -0.22750 -1.0 2.0
   55    56   -65    52   0.15300  1.0 3.0
   55    56    65    60   0.62750  1.0 1.0
   55    56    65    60  -0.30950 -1.0 2.0
   55    56    65    60   0.27300  1.0 3.0
   55    56    65    66   0.23400  1.0 3.0
   56    58   -59    60   7.00000 -1.0 2.0
   56    58    59    63   7.00000 -1.0 2.0
   56    58    75    72   0.46850  1.0 1.0
   56    58    75    72   0.08550 -1.0 2.0
   56    58    75    72   0.09800  1.0 3.0
   56    58    75    76   0.46850  1.0 1.0
   56    58    75    76   0.08550 -1.0 2.0
   56    58    75    76   0.09800  1.0 3.0
   56    58    75    80   0.46850  1.0 1.0
   56    58    75    80   0.08550 -1.0 2.0
   56    58    75    80   0.09800  1.0 3.0
   57    56    58    59   0.00000  1.0 1.0
   57    56    58    75   0.34800  1.0 3.0
   57    56    65    52   0.15000  1.0 3.0
   57    56    65    60   0.15000  1.0 3.0
   57    56    65    66   0.15000  1.0 3.0
   58    56    65    52   0.31000  1.0 1.0
   58    56    65    52   0.14700 -1.0 2.0
   58    56    65    52   0.07550  1.0 3.0
   58    56   -65    60   0.34400  1.0 1.0
   58    56   -65    60   0.09450 -1.0 2.0
   58    56   -65    60   0.11100  1.0 3.0
   58    56    65    66   0.15000  1.0 3.0
   58    59    60    61   0.00000  1.0 1.0
   58    59    60    62   0.00000  1.0 1.0
   58    59   -60    65   0.09850  1.0 1.0
   58    59   -60    65   0.15250 -1.0 2.0
   58    59   -60    65  -0.50650  1.0 3.0
   58    59    63    64   0.00000  1.0 1.0
   58    59    63    67   0.09850  1.0 1.0
   58    59    63    67   0.15250 -1.0 2.0
   58    59    63    67  -0.50650  1.0 3.0
   58    59    63    70   0.67800  1.0 1.0
   58    59    63    70   0.47050 -1.0 2.0
   58    59    63    70  -0.62500  1.0 3.0
   58    75    76    77   0.15000  1.0 3.0
   58    75    76    78   0.15000  1.0 3.0
   58    75    76    79   0.15000  1.0 3.0
   58    75    80    81   0.15000  1.0 3.0
   58    75    80    82   0.15000  1.0 3.0
   58    75    80    83   0.15000  1.0 3.0
   59    58    75    72   0.09850  1.0 1.0
   59    58    75    72   0.15250 -1.0 2.0
   59    58    75    72  -0.50650  1.0 3.0
   59    58    75    76   0.09850  1.0 1.0
   59    58    75    76   0.15250 -1.0 2.0
   59    58    75    76  -0.50650  1.0 3.0
   59    58    75    80   0.09850  1.0 1.0
   59    58    75    80   0.15250 -1.0 2.0
   59    58    75    80  -0.50650  1.0 3.0
   59    60    65    52   0.31000  1.0 1.0
   59    60    65    52   0.14700 -1.0 2.0
   59    60    65    52   0.07550  1.0 3.0
   59    60   -65    56   0.34400  1.0 1.0
   59    60   -65    56   0.09450 -1.0 2.0
   59    60   -65    56   0.11100  1.0 3.0
   59    60    65    66   0.15000  1.0 3.0
   59    63    67    68   0.15000  1.0 3.0
   59    63    67    69   0.15000  1.0 3.0
   59    63   -67    72   0.34400  1.0 1.0
   59    63   -67    72   0.09450 -1.0 2.0
   59    63   -67    72   0.11100  1.0 3.0
   59    63    70    71  -0.07800  1.0 1.0
   59    63    70    71  -0.21500 -1.0 2.0
   59    63    70    71  -0.03150  1.0 3.0
   60    59    63    64   0.34800  1.0 3.0
   60    59    63    67   0.46850  1.0 1.0
   60    59    63    67   0.08550 -1.0 2.0
   60    59    63    67   0.09800  1.0 3.0
   60    59    63    70   0.18000  1.0 1.0
   60    59    63    70   0.16450 -1.0 2.0
   60    59    63    70   0.04450  1.0 3.0
   61    60    65    52   0.15000  1.0 3.0
   61    60    65    56   0.15000  1.0 3.0
   61    60    65    66   0.15000  1.0 3.0
   62    60    65    52   0.15000  1.0 3.0
   62    60    65    56   0.15000  1.0 3.0
   62    60    65    66   0.15000  1.0 3.0
   65    52    53    54  -0.64400  1.0 1.0
   65    52    53    54   0.26850 -1.0 2.0
   65    52   -53    55  -0.15000  1.0 1.0
   65    52   -53    55   0.89550 -1.0 2.0
   65    52   -53    55  -0.06900  1.0 3.0
   65    56   -58    59   0.09850  1.0 1.0
   65    56   -58    59   0.15250 -1.0 2.0
   65    56   -58    59  -0.50650  1.0 3.0
   65    56    58    75   0.46850  1.0 1.0
   65    56    58    75   0.08550 -1.0 2.0
   65    56    58    75   0.09800  1.0 3.0
   63    59    60    61   0.34800  1.0 3.0
   63    59    60    62   0.34800  1.0 3.0
   63    59    60    65   0.46850  1.0 1.0
   63    59    60    65   0.08550 -1.0 2.0
   63    59    60    65   0.09800  1.0 3.0
   63    67    72    73   0.15000  1.0 3.0
   63    67    72    74   0.15000  1.0 3.0
   63    67    72    75   0.56750  1.0 1.0
   63    67    72    75  -0.07550 -1.0 2.0
   63    67    72    75   0.20000  1.0 3.0
   64    63    67    68   0.15000  1.0 3.0
   64    63    67    69   0.15000  1.0 3.0
   64    63    67    72   0.15000  1.0 3.0
   64    63    70    71   0.19450  1.0 3.0
   67    63    70    71  -0.11600  1.0 1.0
   67    63    70    71  -0.09450 -1.0 2.0
   67    63    70    71   0.21250  1.0 3.0
   67    72   -75    58   0.34400  1.0 1.0
   67    72   -75    58   0.09450 -1.0 2.0
   67    72   -75    58   0.11100  1.0 3.0
   67    72    75    76   0.56750  1.0 1.0
   67    72    75    76  -0.07550 -1.0 2.0
   67    72    75    76   0.20000  1.0 3.0
   67    72    75    80   0.56750  1.0 1.0
   67    72    75    80  -0.07550 -1.0 2.0
   67    72    75    80   0.20000  1.0 3.0
   68    67    72    73   0.15000  1.0 3.0
   68    67    72    74   0.15000  1.0 3.0
   68    67    72    75   0.15000  1.0 3.0
   69    67    72    73   0.15000  1.0 3.0
   69    67    72    74   0.15000  1.0 3.0
   69    67    72    75   0.15000  1.0 3.0
   72    75    76    77   0.15000  1.0 3.0
   72    75    76    78   0.15000  1.0 3.0
   72    75    76    79   0.15000  1.0 3.0
   72    75    80    81   0.15000  1.0 3.0
   72    75    80    82   0.15000  1.0 3.0
   72    75    80    83   0.15000  1.0 3.0
   73    72    75    58   0.15000  1.0 3.0
   73    72    75    76   0.15000  1.0 3.0
   73    72    75    80   0.15000  1.0 3.0
   74    72    75    58   0.15000  1.0 3.0
   74    72    75    76   0.15000  1.0 3.0
   74    72    75    80   0.15000  1.0 3.0
   75    58    59    60   7.00000 -1.0 2.0
   75    58   -59    63   7.00000 -1.0 2.0
   76    75    80    81   0.15000  1.0 3.0
   76    75    80    82   0.15000  1.0 3.0
   76    75    80    83   0.15000  1.0 3.0
   80    75    76    77   0.15000  1.0 3.0
   80    75    76    78   0.15000  1.0 3.0
   80    75    76    79   0.15000  1.0 3.0
   70    63    67    68   0.23400  1.0 3.0
   70    63    67    69   0.23400  1.0 3.0
   70    63    67    72   0.86500  1.0 1.0
   70    63    67    72  -0.17500 -1.0 2.0
   70    63    67    72   0.20800  1.0 3.0
   42    38    40    41   0.30150 -1.0 2.0
   42    38    40    46   0.36750  1.0 3.0
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
   38    46    40    41  10.50000 -1.0 2.0
   49    51    50    52   1.10000 -1.0 2.0
   53    65    52    50   1.10000 -1.0 2.0
   52    55    53    54  10.50000 -1.0 2.0
   56    75    58    59   1.10000 -1.0 2.0
   60    63    59    58   1.10000 -1.0 2.0
END
