* LIGAND DATABASE FILE (OPLS2005)
*
001      86    85    155    227     456
    1     0 S   NP   _N1_     1    32.03521   101.30402   -23.37036
    2     1 S   H    _HN1     2     1.02877    96.93838  -177.13843
    3     1 S   H    _H1_     3     1.03507   131.74258   -56.10314
    4     1 S   H    _H2_     4     1.02739    23.85241   -58.68293
    5     1 S   CT   _CA1     5     1.50498    97.01443    71.50555
    6     5 S   HC   _HA1     6     1.09548   104.23104   163.37816
    7     5 S   CO3  _C1_     7     1.54378   111.85745    47.60497
    8     7 S   O2Z  _O11     8     1.26060   116.62474  -137.14416
    9     7 S   O2Z  _O12     9     1.26620   114.02029    42.85242
   10     5 S   CT   _CB1    10     1.53099   106.92134   -80.44298
   11    10 S   HC   HB11    11     1.09669   109.59553   -38.00859
   12    10 S   HC   HB12    12     1.09803   109.91254    77.51362
   13    10 S   CT   _CG1    13     1.53329   113.01707  -160.79997
   14    13 S   HC   HG11    14     1.09566   110.82390  -101.87175
   15    13 S   HC   HG12    15     1.09606   111.87957    17.39514
   16    13 S   C    _CD1    16     1.51475   109.67032   138.50710
   17    16 S   O    _OE1    17     1.22817   121.84259    90.13356
   18    16 S   N    _N2_    18     1.38367   112.57956   -87.07359
   19    18 S   H    _HN2    19     1.02047   119.20169    -3.72977
   20    18 S   CT1  _CA2    20     1.46100   123.90067   174.66549
   21    20 S   HC   _HA2    21     1.09737   109.04925   -15.55836
   22    20 S   C    _C2_    22     1.53715   108.77599  -131.01502
   23    22 S   O    _O2_    23     1.23081   122.18320  -155.07944
   24    20 S   CT   _CB2    32     1.53244   111.55210   106.74879
   25    24 S   HC   HB21    33     1.09604   110.28241    53.15425
   26    24 S   HC   HB22    34     1.09507   110.91580   172.08324
   27    22 S   N    _N3_    24     1.38393   113.79981    32.44843
   28    27 S   H    _HN3    25     1.01513   119.11666    -4.64701
   29    24 S   S    _SG2    35     1.82262   111.83257   -68.17436
   30    27 S   CT   _CA3    26     1.45260   123.32507   178.13912
   31    30 S   HC   HA31    27     1.09550   107.42783   -66.02286
   32    30 S   HC   HA32    28     1.09564   107.97626    50.32346
   33    29 S   OS   _O35    36     1.66851    98.69200   173.92614
   34    30 S   CO3  _C3_    29     1.52985   114.34782   172.32264
   35    34 S   O2Z  _O31    30     1.26432   116.33406    -1.58671
   36    34 S   O2Z  _O32    31     1.26420   114.47059   178.41489
   37    33 S   CT   _C9_    37     1.43635   115.16741   -95.44396
   38    37 S   HC   _H3_    38     1.09623   109.56361    40.08991
   39    37 S   CM   _C10    39     1.51056   108.96625   -82.93727
   40    39 S   HC   _H15    40     1.08948   115.33593   -45.31016
   41    37 S   CT   _C8_    71     1.53679   107.84639   157.68379
   42    41 S   HC   _H13    72     1.09799   109.87525    56.04105
   43    41 S   HC   _H14    73     1.09736   109.79934   174.07606
   44    39 S   CM   _C11    41     1.34277   127.64985   132.82922
   45    44 S   HC   _H16    42     1.08862   117.44928  -177.55599
   46    41 S   CT   _C7_    74     1.53373   111.80561   -64.50794
   47    46 S   HC   _H11    75     1.09646   109.94939    60.39858
   48    46 S   HC   _H12    76     1.09690   109.47754   -57.05603
   49    44 S   CM   _C12    43     1.44439   126.25140     3.61888
   50    49 S   HC   _H17    44     1.08612   118.04616     6.81771
   51    46 S   CT   _C6_    77     1.52962   111.31359  -178.26314
   52    51 S   HC   _H9_    78     1.09681   109.57620   -58.77729
   53    51 S   HC   _H10    79     1.09682   109.59036    58.52472
   54    49 S   CM   _C13    45     1.34194   123.36142  -174.06918
   55    54 S   HC   _H18    46     1.08724   120.43592     1.31194
   56    51 S   CT   _C5_    80     1.52849   111.28149   179.86012
   57    56 S   HC   _H7_    81     1.09623   109.86637    58.89181
   58    56 S   HC   _H8_    82     1.09625   109.86368   -58.82872
   59    54 S   CT   _C14    47     1.50230   122.76953  -177.86953
   60    59 S   HC   _H19    48     1.09645   108.68486   133.63004
   61    59 S   HC   _H20    49     1.09566   109.41543    17.70985
   62    56 S   CT   _C4_    83     1.52032   111.49401  -179.96574
   63    62 S   HC   _H4_    84     1.09469   111.00082    60.26131
   64    62 S   HC   _H5_    85     1.09469   111.00024   -60.25818
   65    62 S   HC   _H6_    86     1.09449   110.26181  -180.00000
   66    59 S   CT   _C15    50     1.52985   111.65141  -104.85181
   67    66 S   HC   _H21    51     1.09784   109.38856   -59.15660
   68    66 S   HC   _H22    52     1.09700   110.03494    56.78239
   69    66 S   CT   _C16    53     1.53397   113.45048   179.95154
   70    69 S   HC   _H23    54     1.09713   108.36079  -177.82112
   71    69 S   HC   _H24    55     1.09716   108.75091    67.01380
   72    69 S   CT   _C17    56     1.53324   115.84117   -55.10390
   73    72 S   HC   _H25    57     1.09606   109.77823    66.16920
   74    72 S   HC   _H26    58     1.09733   108.25058  -178.53380
   75    72 S   CT   _C18    59     1.52948   113.51342   -57.36757
   76    75 S   HC   _H27    60     1.09490   109.31217   -61.25782
   77    75 S   HC   _H28    61     1.09442   110.05288    56.24256
   78    75 S   CT   _C19    62     1.53133   111.44056   177.31795
   79    78 S   HC   _H29    63     1.09675   109.39903    57.28572
   80    78 S   HC   _H30    64     1.09668   109.56168   -59.47130
   81    78 S   CT   _C20    65     1.52584   112.21179   177.94224
   82    81 S   HC   _H31    66     1.09668   109.19218  -177.38341
   83    81 S   HC   _H32    67     1.09652   109.59556   -60.77778
   84    81 S   CO3  _C21    68     1.53060   113.87619    62.74512
   85    84 S   O2Z  _O34    69     1.26235   115.92701    47.59702
   86    84 S   O2Z  _O33    70     1.26389   114.61763  -132.59699
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   6   3   2   7   4   5   5   4   3
   9   2   1   1  13   7  10   4  10   5   4   6   3   9   5   4
   7   3   9   5   4   8   4   6   5   4   9   5   4   3   2   1
   1   9   5   4   9   5   4   9   5   4   9   5   4   8   5   4
   5   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    44    41    42    43    46  
   35    36  
   36  
    0  
   38    39    40    44    45    49    41    42    43    46    47    48    51  
   39    40    44    41    42    43    46  
   40    44    45    49    50    54    41    42    43    46  
   44    45    49    41  
   42    43    46    47    48    51    52    53    56    44  
   43    46    47    48    51  
   46    47    48    51  
   45    49    50    54    55    59  
   49    50    54  
   47    48    51    52    53    56    57    58    62  
   48    51    52    53    56  
   51    52    53    56  
   50    54    55    59    60    61    66  
   54    55    59  
   52    53    56    57    58    62    63    64    65  
   53    56    57    58    62  
   56    57    58    62  
   55    59    60    61    66    67    68    69  
   59    60    61    66  
   57    58    62    63    64    65  
   58    62    63    64    65  
   62    63    64    65  
   60    61    66    67    68    69    70    71    72  
   61    66    67    68    69  
   66    67    68    69  
   63    64    65  
   64    65  
   65  
    0  
   67    68    69    70    71    72    73    74    75  
   68    69    70    71    72  
   69    70    71    72  
   70    71    72    73    74    75    76    77    78  
   71    72    73    74    75  
   72    73    74    75  
   73    74    75    76    77    78    79    80    81  
   74    75    76    77    78  
   75    76    77    78  
   76    77    78    79    80    81    82    83    84  
   77    78    79    80    81  
   78    79    80    81  
   79    80    81    82    83    84    85    86  
   80    81    82    83    84  
   81    82    83    84  
   82    83    84    85    86  
   83    84    85    86  
   84    85    86  
   85    86  
   86  
    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   0.047500   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   2.9000   0.1400  -0.415000   1.5900   1.4000   0.020110767  -0.896042159
   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   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5500   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  -0.120000   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.220000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   84   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   85   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   86   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    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   655.000  1.490
   33    37   320.000  1.410
   37    38   340.000  1.090
   37    39   317.000  1.510
   37    41   268.000  1.529
   39    40   340.000  1.080
   39    44   549.000  1.340
   44    45   340.000  1.080
   44    49   380.000  1.444
   49    50   340.000  1.080
   49    54   549.000  1.340
   54    55   340.000  1.080
   54    59   317.000  1.510
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   268.000  1.529
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    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   340.000  1.090
   75    77   340.000  1.090
   75    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   268.000  1.529
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   317.000  1.522
   84    85   656.000  1.250
   84    86   656.000  1.250
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   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   110.00000  101.00000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37   100.00000  113.00000
   33    37    38    35.00000  109.50000
   33    37    39    85.00000  110.90400
   33    37    41    50.00000  109.50000
   37    39    40    35.00000  117.00000
   37    39    44    70.00000  124.00000
   37    41    42    37.50000  110.70000
   37    41    43    37.50000  110.70000
   37    41    46    58.35000  112.70000
   39    37    38    35.00000  109.50000
   39    44    45    35.00000  120.00000
   39    44    49    70.00000  123.01800
   44    39    40    35.00000  120.00000
   44    49    50    35.00000  120.00000
   44    49    54    70.00000  123.01800
   49    44    45    35.00000  120.00000
   49    54    55    35.00000  120.00000
   49    54    59    70.00000  124.00000
   54    49    50    35.00000  120.00000
   54    59    60    35.00000  109.50000
   54    59    61    35.00000  109.50000
   54    59    66    70.00000  112.02700
   59    54    55    35.00000  117.00000
   59    66    67    37.50000  110.70000
   59    66    68    37.50000  110.70000
   59    66    69    58.35000  112.70000
   61    59    60    33.00000  107.80000
   66    59    60    37.50000  110.70000
   66    59    61    37.50000  110.70000
   66    69    70    37.50000  110.70000
   66    69    71    37.50000  110.70000
   66    69    72    58.35000  112.70000
   68    66    67    33.00000  107.80000
   69    66    67    37.50000  110.70000
   69    66    68    37.50000  110.70000
   69    72    73    37.50000  110.70000
   69    72    74    37.50000  110.70000
   69    72    75    58.35000  112.70000
   71    69    70    33.00000  107.80000
   72    69    70    37.50000  110.70000
   72    69    71    37.50000  110.70000
   72    75    76    37.50000  110.70000
   72    75    77    37.50000  110.70000
   72    75    78    58.35000  112.70000
   74    72    73    33.00000  107.80000
   75    72    73    37.50000  110.70000
   75    72    74    37.50000  110.70000
   75    78    79    37.50000  110.70000
   75    78    80    37.50000  110.70000
   75    78    81    58.35000  112.70000
   77    75    76    33.00000  107.80000
   78    75    76    37.50000  110.70000
   78    75    77    37.50000  110.70000
   78    81    82    37.50000  110.70000
   78    81    83    37.50000  110.70000
   78    81    84    70.00000  109.69300
   80    78    79    33.00000  107.80000
   81    78    79    37.50000  110.70000
   81    78    80    37.50000  110.70000
   81    84    85    70.00000  117.00000
   81    84    86    70.00000  117.00000
   83    81    82    33.00000  107.80000
   84    81    82    35.00000  109.50000
   84    81    83    35.00000  109.50000
   86    84    85    80.00000  126.00000
   41    37    38    37.50000  110.70000
   41    37    39    70.00000  112.02700
   41    46    47    37.50000  110.70000
   41    46    48    37.50000  110.70000
   41    46    51    58.35000  112.70000
   43    41    42    33.00000  107.80000
   46    41    42    37.50000  110.70000
   46    41    43    37.50000  110.70000
   46    51    52    37.50000  110.70000
   46    51    53    37.50000  110.70000
   46    51    56    58.35000  112.70000
   48    46    47    33.00000  107.80000
   51    46    47    37.50000  110.70000
   51    46    48    37.50000  110.70000
   51    56    57    37.50000  110.70000
   51    56    58    37.50000  110.70000
   51    56    62    58.35000  112.70000
   53    51    52    33.00000  107.80000
   56    51    52    37.50000  110.70000
   56    51    53    37.50000  110.70000
   56    62    63    37.50000  110.70000
   56    62    64    37.50000  110.70000
   56    62    65    37.50000  110.70000
   58    56    57    33.00000  107.80000
   62    56    57    37.50000  110.70000
   62    56    58    37.50000  110.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    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   0.00000  1.0 1.0
   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  -2.50000 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   0.37500  1.0 3.0
   29    33    37    39   0.37500  1.0 3.0
   29    33    37    41   0.37500  1.0 3.0
   33    37    39    40   0.00000  1.0 1.0
   33    37    39    44   0.39000  1.0 1.0
   33    37    39    44  -0.05800 -1.0 2.0
   33    37    39    44  -0.55150  1.0 3.0
   33    37    41    42   0.23400  1.0 3.0
   33    37    41    43   0.23400  1.0 3.0
   33    37    41    46   0.62750  1.0 1.0
   33    37    41    46  -0.30950 -1.0 2.0
   33    37    41    46   0.27300  1.0 3.0
   37    39    44    45   7.00000 -1.0 2.0
   37    39    44    49   7.00000 -1.0 2.0
   37    41    46    47   0.15000  1.0 3.0
   37    41    46    48   0.15000  1.0 3.0
   37    41    46    51   0.56750  1.0 1.0
   37    41    46    51  -0.07550 -1.0 2.0
   37    41    46    51   0.20000  1.0 3.0
   38    37    39    40   0.33100  1.0 3.0
   38    37    39    44   0.00000  1.0 1.0
   38    37    41    42   0.15000  1.0 3.0
   38    37    41    43   0.15000  1.0 3.0
   38    37    41    46   0.15000  1.0 3.0
   39    37    41    42   0.15000  1.0 3.0
   39    37    41    43   0.15000  1.0 3.0
   39    37    41    46   0.34400  1.0 1.0
   39    37    41    46   0.09450 -1.0 2.0
   39    37    41    46   0.11100  1.0 3.0
   39    44    49    50  -0.18600  1.0 3.0
   39    44    49    54   0.28850  1.0 1.0
   39    44    49    54   2.61350 -1.0 2.0
   39    44    49    54   0.78400  1.0 3.0
   40    39    44    45   7.00000 -1.0 2.0
   40    39    44    49   7.00000 -1.0 2.0
   44    49    54    55   7.00000 -1.0 2.0
   44    49    54    59   7.00000 -1.0 2.0
   45    44    49    50   0.00000  1.0 1.0
   45    44    49    54  -0.18600  1.0 3.0
   49    54    59    60   0.00000  1.0 1.0
   49    54    59    61   0.00000  1.0 1.0
   49    54    59    66   0.09850  1.0 1.0
   49    54    59    66   0.15250 -1.0 2.0
   49    54    59    66  -0.50650  1.0 3.0
   50    49    54    55   7.00000 -1.0 2.0
   50    49    54    59   7.00000 -1.0 2.0
   54    59    66    67   0.15000  1.0 3.0
   54    59    66    68   0.15000  1.0 3.0
   54    59    66    69   0.34400  1.0 1.0
   54    59    66    69   0.09450 -1.0 2.0
   54    59    66    69   0.11100  1.0 3.0
   55    54    59    60   0.33100  1.0 3.0
   55    54    59    61   0.33100  1.0 3.0
   55    54    59    66   0.00000  1.0 1.0
   59    66    69    70   0.15000  1.0 3.0
   59    66    69    71   0.15000  1.0 3.0
   59    66    69    72   0.56750  1.0 1.0
   59    66    69    72  -0.07550 -1.0 2.0
   59    66    69    72   0.20000  1.0 3.0
   60    59    66    67   0.15000  1.0 3.0
   60    59    66    68   0.15000  1.0 3.0
   60    59    66    69   0.15000  1.0 3.0
   61    59    66    67   0.15000  1.0 3.0
   61    59    66    68   0.15000  1.0 3.0
   61    59    66    69   0.15000  1.0 3.0
   66    69    72    73   0.15000  1.0 3.0
   66    69    72    74   0.15000  1.0 3.0
   66    69    72    75   0.56750  1.0 1.0
   66    69    72    75  -0.07550 -1.0 2.0
   66    69    72    75   0.20000  1.0 3.0
   67    66    69    70   0.15000  1.0 3.0
   67    66    69    71   0.15000  1.0 3.0
   67    66    69    72   0.15000  1.0 3.0
   68    66    69    70   0.15000  1.0 3.0
   68    66    69    71   0.15000  1.0 3.0
   68    66    69    72   0.15000  1.0 3.0
   69    72    75    76   0.15000  1.0 3.0
   69    72    75    77   0.15000  1.0 3.0
   69    72    75    78   0.56750  1.0 1.0
   69    72    75    78  -0.07550 -1.0 2.0
   69    72    75    78   0.20000  1.0 3.0
   70    69    72    73   0.15000  1.0 3.0
   70    69    72    74   0.15000  1.0 3.0
   70    69    72    75   0.15000  1.0 3.0
   71    69    72    73   0.15000  1.0 3.0
   71    69    72    74   0.15000  1.0 3.0
   71    69    72    75   0.15000  1.0 3.0
   72    75    78    79   0.15000  1.0 3.0
   72    75    78    80   0.15000  1.0 3.0
   72    75    78    81   0.56750  1.0 1.0
   72    75    78    81  -0.07550 -1.0 2.0
   72    75    78    81   0.20000  1.0 3.0
   73    72    75    76   0.15000  1.0 3.0
   73    72    75    77   0.15000  1.0 3.0
   73    72    75    78   0.15000  1.0 3.0
   74    72    75    76   0.15000  1.0 3.0
   74    72    75    77   0.15000  1.0 3.0
   74    72    75    78   0.15000  1.0 3.0
   75    78    81    82   0.15000  1.0 3.0
   75    78    81    83   0.15000  1.0 3.0
   75    78    81    84  -1.63150  1.0 1.0
   75    78    81    84  -0.43550 -1.0 2.0
   75    78    81    84   0.24500  1.0 3.0
   76    75    78    79   0.15000  1.0 3.0
   76    75    78    80   0.15000  1.0 3.0
   76    75    78    81   0.15000  1.0 3.0
   77    75    78    79   0.15000  1.0 3.0
   77    75    78    80   0.15000  1.0 3.0
   77    75    78    81   0.15000  1.0 3.0
   78    81    84    85   0.41150 -1.0 2.0
   78    81    84    86   0.41150 -1.0 2.0
   79    78    81    82   0.15000  1.0 3.0
   79    78    81    83   0.15000  1.0 3.0
   79    78    81    84  -0.11250  1.0 3.0
   80    78    81    82   0.15000  1.0 3.0
   80    78    81    83   0.15000  1.0 3.0
   80    78    81    84  -0.11250  1.0 3.0
   82    81    84    85   0.00000  1.0 1.0
   82    81    84    86   0.00000  1.0 1.0
   83    81    84    85   0.00000  1.0 1.0
   83    81    84    86   0.00000  1.0 1.0
   41    37    39    40   0.00000  1.0 1.0
   41    37    39    44   0.09850  1.0 1.0
   41    37    39    44   0.15250 -1.0 2.0
   41    37    39    44  -0.50650  1.0 3.0
   41    46    51    52   0.15000  1.0 3.0
   41    46    51    53   0.15000  1.0 3.0
   41    46    51    56   0.56750  1.0 1.0
   41    46    51    56  -0.07550 -1.0 2.0
   41    46    51    56   0.20000  1.0 3.0
   42    41    46    47   0.15000  1.0 3.0
   42    41    46    48   0.15000  1.0 3.0
   42    41    46    51   0.15000  1.0 3.0
   43    41    46    47   0.15000  1.0 3.0
   43    41    46    48   0.15000  1.0 3.0
   43    41    46    51   0.15000  1.0 3.0
   46    51    56    57   0.15000  1.0 3.0
   46    51    56    58   0.15000  1.0 3.0
   46    51    56    62   0.56750  1.0 1.0
   46    51    56    62  -0.07550 -1.0 2.0
   46    51    56    62   0.20000  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    53   0.15000  1.0 3.0
   47    46    51    56   0.15000  1.0 3.0
   48    46    51    52   0.15000  1.0 3.0
   48    46    51    53   0.15000  1.0 3.0
   48    46    51    56   0.15000  1.0 3.0
   51    56    62    63   0.15000  1.0 3.0
   51    56    62    64   0.15000  1.0 3.0
   51    56    62    65   0.15000  1.0 3.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    58   0.15000  1.0 3.0
   52    51    56    62   0.15000  1.0 3.0
   53    51    56    57   0.15000  1.0 3.0
   53    51    56    58   0.15000  1.0 3.0
   53    51    56    62   0.15000  1.0 3.0
   57    56    62    63   0.15000  1.0 3.0
   57    56    62    64   0.15000  1.0 3.0
   57    56    62    65   0.15000  1.0 3.0
   58    56    62    63   0.15000  1.0 3.0
   58    56    62    64   0.15000  1.0 3.0
   58    56    62    65   0.15000  1.0 3.0
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
   35    30    34    36  10.50000 -1.0 2.0
   37    40    39    44  15.00000 -1.0 2.0
   49    45    44    39  15.00000 -1.0 2.0
   44    50    49    54  15.00000 -1.0 2.0
   59    55    54    49  15.00000 -1.0 2.0
   85    81    84    86  10.50000 -1.0 2.0
END
