* LIGAND DATABASE FILE (OPLS2005)
*
001      80    83    158    261     476
    1     0 S   NP   _N1_     1    29.01244    99.64066   -22.00470
    2     1 S   H    _HN1     2     1.02792    95.68830   -87.89935
    3     1 S   H    _H1_     3     1.02949    54.67710    20.59371
    4     1 S   H    _H2_     4     1.02829    60.71393   164.77533
    5     1 S   CT   _CA1     5     1.50115   151.98062    85.69139
    6     5 S   HC   _HA1     6     1.09576   105.18566   125.63670
    7     5 S   CO3  _C1_     7     1.53769   112.39898     5.41490
    8     7 S   O2Z  _O11     8     1.26370   115.01791   -44.52226
    9     7 S   O2Z  _O12     9     1.26233   114.92623   134.50565
   10     5 S   CT   _CB1    10     1.53062   107.40573  -116.43997
   11    10 S   HC   HB11    11     1.09839   109.32539   -49.89944
   12    10 S   HC   HB12    12     1.09812   110.48268    66.68132
   13    10 S   CT   _CG1    13     1.53014   112.63401  -170.86126
   14    13 S   HC   HG11    14     1.09578   110.68303   -66.42779
   15    13 S   HC   HG12    15     1.09669   109.75555    52.82697
   16    13 S   C    _CD1    16     1.51809   112.06217   173.25927
   17    16 S   O    _OE1    17     1.22753   123.22064     9.27847
   18    16 S   N    _N2_    18     1.38643   111.79302  -170.70665
   19    18 S   H    _HN2    19     1.01591   118.99099     1.11171
   20    18 S   CT1  _CA2    20     1.46229   123.35769   177.17257
   21    20 S   HC   _HA2    21     1.09742   109.29898     6.16122
   22    20 S   C    _C2_    22     1.53643   108.89176  -109.36409
   23    22 S   O    _O2_    23     1.23082   122.21691  -149.16230
   24    20 S   CT   _CB2    32     1.53480   111.57017   128.13229
   25    24 S   HC   HB21    33     1.09378   109.49041    57.59133
   26    24 S   HC   HB22    34     1.09432   109.57932   176.40332
   27    22 S   N    _N3_    24     1.38306   113.85241    38.35713
   28    27 S   H    _HN3    25     1.01557   119.59490    -3.38969
   29    24 S   S    _SG2    35     1.82879   111.04609   -64.35647
   30    27 S   CT   _CA3    26     1.45284   123.27179   177.14172
   31    30 S   HC   HA31    27     1.09548   107.50979   -64.74946
   32    30 S   HC   HA32    28     1.09555   107.99763    51.70586
   33    29 S   CT   _C18    36     1.88946   102.57496   167.47697
   34    30 S   CO3  _C3_    29     1.52973   114.04491   173.69883
   35    34 S   O2Z  _O31    30     1.26382   116.06530    -0.72524
   36    34 S   O2Z  _O32    31     1.26425   114.41869   179.34121
   37    33 S   CM   _C17    37     1.51917   107.61151   -67.57325
   38    37 S   HC   _H18    38     1.09007   116.15078    74.79183
   39    33 S   CT   _C19    74     1.54239   111.36021    52.07003
   40    39 S   HC   _H19    75     1.09536   112.12733   -53.94453
   41    39 S   HC   _H20    76     1.10033   109.49562  -169.97126
   42    37 S   CMA  _C16    39     1.35025   126.54156  -107.46577
   43    42 S   OM   _O33    40     1.26157   129.69580  -177.92944
   44    42 S   CT   _C15    41     1.52418   118.67892     2.34669
   45    44 S   HC   _H16    42     1.10013   110.91893   139.48085
   46    44 S   HC   _H17    43     1.10008   108.88694  -103.38499
   47    44 S   CT   _C14    44     1.53359   114.19561    18.57153
   48    47 S   HC   _H14    45     1.09130   107.82542  -173.66104
   49    47 S   HC   _H15    46     1.09694   109.71455    72.36197
   50    33 S   CM   _C13    47     1.54417   105.18727   172.94387
   51    50 S   CM   _C12    48     1.35886   122.66403  -103.12766
   52    51 S   CM   _C11    49     1.47243   123.54965   175.39355
   53    52 S   HC   _H13    50     1.08337   119.18177     6.74139
   54    52 S   CM   _C10    51     1.34641   124.40567  -172.04051
   55    54 S   HC   _H12    52     1.08675   119.32266  -179.00181
   56    54 S   CT   _C9_    53     1.50720   122.50287    -1.89196
   57    56 S   CT   _C8_    54     1.54869   107.73972    25.72309
   58    57 S   HC   _H3_    55     1.10243   109.54652    60.98635
   59    56 S   CT   _C22    77     1.55412   105.80947   -96.89906
   60    59 S   HC   _H23    78     1.09435   112.64446   176.67822
   61    59 S   HC   _H24    79     1.09532   112.50625    55.28322
   62    59 S   HC   _H25    80     1.09728   110.85027   -63.36223
   63    57 S   CT   _C7_    56     1.52140   103.40565   173.17573
   64    63 S   HC   _H10    57     1.09481   112.06477  -156.76196
   65    63 S   HC   _H11    58     1.09542   111.68227    82.52847
   66    51 S   CT   _C21    69     1.54148   121.55555    -3.27154
   67    66 S   HC   _H4_    70     1.09784   106.77424   -98.75869
   68    63 S   CT   _C6_    59     1.54253   103.77721   -36.62695
   69    68 S   HC   _H8_    60     1.09634   109.91561   132.50776
   70    68 S   HC   _H9_    61     1.09615   110.11926  -110.18807
   71    66 S   CT   _C20    71     1.52978   113.86812    17.90701
   72    71 S   HC   _H21    72     1.09676   109.67226  -165.82357
   73    71 S   HC   _H22    73     1.09590   111.10517    76.72811
   74    56 S   CT   _C5_    62     1.55813   119.24573   138.44451
   75    74 S   CT   _C4_    63     1.53485   114.86217   -35.77273
   76    75 S   HC   _H5_    64     1.09557   110.89761    64.99446
   77    75 S   HC   _H6_    65     1.09303   113.16848   -57.25661
   78    75 S   HC   _H7_    66     1.09665   110.37530  -178.00728
   79    74 S   OH   _O34    67     1.42625   111.26807    85.87107
   80    79 S   HO   _H26    68     0.97253   107.93067   171.80331
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  11   5   4   3
  18   2   1   1  13   5  12   6   5   8   4   7   5   4   6   3
   2   8  13  10   4  14   4  22  19   9   9   3   2   1  11   6
   5   6   3   9   4   3   2   1   1   6   5   3   2   1   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    50    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    47    50    51    71    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    44    47    48    49    50    51    52    66    71    72    73    39    40    41  
   35    36  
   36  
    0  
   38    42    43    44    45    46    47    50    51    71    39    40    41  
   42    43    44    50    39  
   40    41    42    47    50    51    57    66    67    71    72    73  
   41    50    66    71    72    73  
   50    66    71    72    73  
   43    44    45    46    47    48    49    50  
   44    45    46    47  
   45    46    47    48    49    50    51  
   46    47    48    49    50  
   47    48    49    50  
   48    49    50    51    52    66  
   49    50    51  
   50    51  
   51    52    53    54    57    66    67    71  
   52    53    54    55    56    57    58    63    66    67    71    72    73  
   53    54    55    56    57    74    66    67    71    59  
   54    55    56    66  
   55    56    57    58    63    68    74    75    79    66    59    60    61    62  
   56    57    74    59  
   57    58    63    64    65    68    69    70    74    75    76    77    78    79    80    66    67    71    59    60    61    62  
   58    63    64    65    68    69    70    74    75    79    66    67    71    72    73    59    60    61    62  
   63    64    65    68    74    66    67    71    59  
   60    61    62    63    66    68    74    75    79  
   61    62    74  
   62    74  
   74  
   64    65    68    69    70    74    75    79    66    67    71  
   65    68    69    70    74    66  
   68    69    70    74    66  
   67    71    72    73    68    74  
   71    72    73  
   69    70    74    75    76    77    78    79    80  
   70    74    75    79  
   74    75    79  
   72    73  
   73  
    0  
   75    76    77    78    79    80  
   76    77    78    79    80  
   77    78    79  
   78    79  
   79  
   80  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   43   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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  -0.115000   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   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   57   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   75   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   80   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    50   317.000  1.510
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    42   465.000  1.376
   42    43   745.000  1.250
   42    44   270.000  1.512
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   268.000  1.529
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   317.000  1.510
   50    51   549.000  1.340
   51    52   380.000  1.444
   51    66   317.000  1.510
   52    53   340.000  1.080
   52    54   549.000  1.340
   54    55   340.000  1.080
   54    56   317.000  1.510
   56    57   268.000  1.529
   56    74   268.000  1.529
   56    59   268.000  1.529
   57    58   340.000  1.090
   57    63   268.000  1.529
   57    66   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    68   268.000  1.529
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    74   268.000  1.529
   74    75   268.000  1.529
   74    79   320.000  1.410
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   79    80   553.000  0.945
   66    67   340.000  1.090
   66    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    39   268.000  1.529
   39    40   340.000  1.090
   39    41   340.000  1.090
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    50    75.00000  112.20000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    42    70.00000  124.00000
   33    50    47    65.00000  117.92700
   33    50    51    70.00000  124.00000
   33    39    71    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   37    42    43    65.00000  137.10300
   37    42    44    65.00000  122.18000
   42    37    38    40.00000  120.50800
   42    44    45    45.00000  110.52000
   42    44    46    45.00000  110.52000
   42    44    47    70.00000  112.02700
   44    42    43    85.00000  112.85300
   44    47    48    37.50000  110.70000
   44    47    49    37.50000  110.70000
   44    47    50    70.00000  112.02700
   46    44    45    33.00000  107.80000
   47    44    45    37.50000  110.70000
   47    44    46    37.50000  110.70000
   47    50    51    70.00000  124.00000
   49    47    48    33.00000  107.80000
   50    33    37    70.00000  110.12100
   50    47    48    35.00000  109.50000
   50    47    49    35.00000  109.50000
   50    51    52    70.00000  123.01800
   50    51    66    70.00000  124.00000
   51    52    53    35.00000  120.00000
   51    52    54    70.00000  123.01800
   51    66    57    70.00000  112.02700
   51    66    67    35.00000  109.50000
   51    66    71    70.00000  112.02700
   52    54    55    35.00000  120.00000
   52    54    56    70.00000  124.00000
   54    52    53    35.00000  120.00000
   54    56    57    70.00000  112.02700
   54    56    74    70.00000  112.02700
   54    56    59    70.00000  112.02700
   56    54    55    35.00000  117.00000
   56    57    58    37.50000  110.70000
   56    57    63    58.35000  112.70000
   56    57    66    58.35000  112.70000
   56    74    68    58.35000  112.70000
   56    74    75    58.35000  112.70000
   56    74    79    50.00000  109.50000
   56    59    60    37.50000  110.70000
   56    59    61    37.50000  110.70000
   56    59    62    37.50000  110.70000
   57    63    64    37.50000  110.70000
   57    63    65    37.50000  110.70000
   57    63    68    58.35000  112.70000
   57    66    67    37.50000  110.70000
   57    66    71    58.35000  112.70000
   63    57    58    37.50000  110.70000
   63    68    69    37.50000  110.70000
   63    68    70    37.50000  110.70000
   63    68    74    58.35000  112.70000
   65    63    64    33.00000  107.80000
   68    63    64    37.50000  110.70000
   68    63    65    37.50000  110.70000
   68    74    75    58.35000  112.70000
   68    74    79    50.00000  109.50000
   70    68    69    33.00000  107.80000
   74    56    57    58.35000  112.70000
   74    68    69    37.50000  110.70000
   74    68    70    37.50000  110.70000
   74    75    76    37.50000  110.70000
   74    75    77    37.50000  110.70000
   74    75    78    37.50000  110.70000
   74    79    80    55.00000  108.50000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   79    74    75    50.00000  109.50000
   66    51    52    70.00000  124.00000
   66    57    58    37.50000  110.70000
   66    57    63    58.35000  112.70000
   66    71    72    37.50000  110.70000
   66    71    73    37.50000  110.70000
   66    71    39    58.35000  112.70000
   71    66    67    37.50000  110.70000
   71    39    40    37.50000  110.70000
   71    39    41    37.50000  110.70000
   73    71    72    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    50    70.00000  112.02700
   39    71    72    37.50000  110.70000
   39    71    73    37.50000  110.70000
   41    39    40    33.00000  107.80000
   59    56    57    58.35000  112.70000
   59    56    74    58.35000  112.70000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    50  -0.62250  1.0 1.0
   24    29    33    50  -0.38450 -1.0 2.0
   24    29    33    50   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    37    38   0.00000  1.0 1.0
   29    33    37    42   0.42700  1.0 1.0
   29    33    37    42  -0.70350 -1.0 2.0
   29    33    37    42  -0.43150  1.0 3.0
   29    33    50    47   0.30250  1.0 1.0
   29    33    50    47  -0.14950 -1.0 2.0
   29    33    50    47   0.36900  1.0 3.0
   29    33    50    51   0.42700  1.0 1.0
   29    33    50    51  -0.70350 -1.0 2.0
   29    33    50    51  -0.43150  1.0 3.0
   29    33    39    71   0.44750  1.0 1.0
   29    33    39    71  -0.17800 -1.0 2.0
   29    33    39    71   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   33    37    42    43   7.00000 -1.0 2.0
   33    37    42    44   7.00000 -1.0 2.0
   33    50    51    52   7.00000 -1.0 2.0
   33    50    51    66   7.00000 -1.0 2.0
   37    33    50    47   0.09700  1.0 1.0
   37    33    50    47   0.15600 -1.0 2.0
   37    33    50    47  -0.50800  1.0 3.0
   37    33    50    51  -0.28300  1.0 1.0
   37    33    50    51   0.26700 -1.0 2.0
   37    33    50    51  -0.63300  1.0 3.0
   37    33    39    71   0.34400  1.0 1.0
   37    33    39    71   0.09450 -1.0 2.0
   37    33    39    71   0.11100  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    42    44    45   0.00000  1.0 1.0
   37    42    44    46   0.00000  1.0 1.0
   37    42   -44    47   0.09850  1.0 1.0
   37    42   -44    47   0.15250 -1.0 2.0
   37    42   -44    47  -0.50650  1.0 3.0
   38    37    42    43   7.00000 -1.0 2.0
   38    37    42    44   7.00000 -1.0 2.0
   42    44    47    48   0.15000  1.0 3.0
   42    44    47    49   0.15000  1.0 3.0
   42    44    47    50   0.31000  1.0 1.0
   42    44    47    50   0.14700 -1.0 2.0
   42    44    47    50   0.07550  1.0 3.0
   43    42    44    45   0.00000  1.0 1.0
   43    42    44    46   0.00000  1.0 1.0
   43    42    44    47   0.09700  1.0 1.0
   43    42    44    47   0.15600 -1.0 2.0
   43    42    44    47  -0.50800  1.0 3.0
   44    47   -50    33   0.46850  1.0 1.0
   44    47   -50    33   0.08550 -1.0 2.0
   44    47   -50    33   0.09800  1.0 3.0
   44    47    50    51   0.09850  1.0 1.0
   44    47    50    51   0.15250 -1.0 2.0
   44    47    50    51  -0.50650  1.0 3.0
   45    44    47    48   0.15000  1.0 3.0
   45    44    47    49   0.15000  1.0 3.0
   45    44    47    50   0.15000  1.0 3.0
   46    44    47    48   0.15000  1.0 3.0
   46    44    47    49   0.15000  1.0 3.0
   46    44    47    50   0.15000  1.0 3.0
   47    50    51    52   7.00000 -1.0 2.0
   47    50    51    66   7.00000 -1.0 2.0
   48    47    50    33   0.34800  1.0 3.0
   48    47    50    51   0.00000  1.0 1.0
   49    47    50    33   0.34800  1.0 3.0
   49    47    50    51   0.00000  1.0 1.0
   50    33    37    38   0.00000  1.0 1.0
   50    33   -37    42  -0.28300  1.0 1.0
   50    33   -37    42   0.26700 -1.0 2.0
   50    33   -37    42  -0.63300  1.0 3.0
   50    33    39    71   0.34400  1.0 1.0
   50    33    39    71   0.09450 -1.0 2.0
   50    33    39    71   0.11100  1.0 3.0
   50    33    39    40   0.15000  1.0 3.0
   50    33    39    41   0.15000  1.0 3.0
   50    51    52    53  -0.18600  1.0 3.0
   50    51    52    54   0.28850  1.0 1.0
   50    51    52    54   2.61350 -1.0 2.0
   50    51    52    54   0.78400  1.0 3.0
   50    51    66    57   0.09850  1.0 1.0
   50    51    66    57   0.15250 -1.0 2.0
   50    51    66    57  -0.50650  1.0 3.0
   50    51    66    67   0.00000  1.0 1.0
   50    51   -66    71   0.09850  1.0 1.0
   50    51   -66    71   0.15250 -1.0 2.0
   50    51   -66    71  -0.50650  1.0 3.0
   51    52    54    55   7.00000 -1.0 2.0
   51    52    54    56   7.00000 -1.0 2.0
   51    66    71    72   0.15000  1.0 3.0
   51    66    71    73   0.15000  1.0 3.0
   51    66    71    39   0.34400  1.0 1.0
   51    66    71    39   0.09450 -1.0 2.0
   51    66    71    39   0.11100  1.0 3.0
   52    51    66    57   0.98200  1.0 1.0
   52    51    66    57  -0.11900 -1.0 2.0
   52    51    66    57   0.24250  1.0 3.0
   52    51    66    67   0.00000  1.0 1.0
   52    51    66    71   0.98200  1.0 1.0
   52    51    66    71  -0.11900 -1.0 2.0
   52    51    66    71   0.24250  1.0 3.0
   52    54   -56    57   0.09850  1.0 1.0
   52    54   -56    57   0.15250 -1.0 2.0
   52    54   -56    57  -0.50650  1.0 3.0
   52    54    56    74   0.09850  1.0 1.0
   52    54    56    74   0.15250 -1.0 2.0
   52    54    56    74  -0.50650  1.0 3.0
   52    54    56    59   0.09850  1.0 1.0
   52    54    56    59   0.15250 -1.0 2.0
   52    54    56    59  -0.50650  1.0 3.0
   53    52    54    55   7.00000 -1.0 2.0
   53    52    54    56   7.00000 -1.0 2.0
   54    56    57    58   0.15000  1.0 3.0
   54    56    57    63   0.34400  1.0 1.0
   54    56    57    63   0.09450 -1.0 2.0
   54    56    57    63   0.11100  1.0 3.0
   54    56    57    66   0.34400  1.0 1.0
   54    56    57    66   0.09450 -1.0 2.0
   54    56    57    66   0.11100  1.0 3.0
   54    56    74    68   0.34400  1.0 1.0
   54    56    74    68   0.09450 -1.0 2.0
   54    56    74    68   0.11100  1.0 3.0
   54    56    74    75   0.34400  1.0 1.0
   54    56    74    75   0.09450 -1.0 2.0
   54    56    74    75   0.11100  1.0 3.0
   54    56    74    79   1.05650  1.0 1.0
   54    56    74    79   0.15600 -1.0 2.0
   54    56    74    79   0.53150  1.0 3.0
   54    56    59    60   0.15000  1.0 3.0
   54    56    59    61   0.15000  1.0 3.0
   54    56    59    62   0.15000  1.0 3.0
   55    54    56    57   0.00000  1.0 1.0
   55    54    56    74   0.00000  1.0 1.0
   55    54    56    59   0.00000  1.0 1.0
   56    57    63    64   0.15000  1.0 3.0
   56    57    63    65   0.15000  1.0 3.0
   56    57   -63    68   0.56750  1.0 1.0
   56    57   -63    68  -0.07550 -1.0 2.0
   56    57   -63    68   0.20000  1.0 3.0
   56    57   -66    51   0.34400  1.0 1.0
   56    57   -66    51   0.09450 -1.0 2.0
   56    57   -66    51   0.11100  1.0 3.0
   56    57    66    67   0.15000  1.0 3.0
   56    57    66    71   0.56750  1.0 1.0
   56    57    66    71  -0.07550 -1.0 2.0
   56    57    66    71   0.20000  1.0 3.0
   56    74    75    76   0.15000  1.0 3.0
   56    74    75    77   0.15000  1.0 3.0
   56    74    75    78   0.15000  1.0 3.0
   56    74    79    80  -0.11600  1.0 1.0
   56    74    79    80  -0.09450 -1.0 2.0
   56    74    79    80   0.21250  1.0 3.0
   57    56   -74    68   0.56750  1.0 1.0
   57    56   -74    68  -0.07550 -1.0 2.0
   57    56   -74    68   0.20000  1.0 3.0
   57    56    74    75   0.56750  1.0 1.0
   57    56    74    75  -0.07550 -1.0 2.0
   57    56    74    75   0.20000  1.0 3.0
   57    56    74    79   0.86500  1.0 1.0
   57    56    74    79  -0.17500 -1.0 2.0
   57    56    74    79   0.20800  1.0 3.0
   57    56    59    60   0.15000  1.0 3.0
   57    56    59    61   0.15000  1.0 3.0
   57    56    59    62   0.15000  1.0 3.0
   57    63    68    69   0.15000  1.0 3.0
   57    63    68    70   0.15000  1.0 3.0
   57    63   -68    74   0.56750  1.0 1.0
   57    63   -68    74  -0.07550 -1.0 2.0
   57    63   -68    74   0.20000  1.0 3.0
   57    66    71    72   0.15000  1.0 3.0
   57    66    71    73   0.15000  1.0 3.0
   57    66    71    39   0.56750  1.0 1.0
   57    66    71    39  -0.07550 -1.0 2.0
   57    66    71    39   0.20000  1.0 3.0
   58    57    63    64   0.15000  1.0 3.0
   58    57    63    65   0.15000  1.0 3.0
   58    57    63    68   0.15000  1.0 3.0
   58    57    66    51   0.15000  1.0 3.0
   58    57    66    67   0.15000  1.0 3.0
   58    57    66    71   0.15000  1.0 3.0
   63    57    66    51   0.34400  1.0 1.0
   63    57    66    51   0.09450 -1.0 2.0
   63    57    66    51   0.11100  1.0 3.0
   63    57    66    67   0.15000  1.0 3.0
   63    57    66    71   0.56750  1.0 1.0
   63    57    66    71  -0.07550 -1.0 2.0
   63    57    66    71   0.20000  1.0 3.0
   63    68   -74    56   0.56750  1.0 1.0
   63    68   -74    56  -0.07550 -1.0 2.0
   63    68   -74    56   0.20000  1.0 3.0
   63    68    74    75   0.56750  1.0 1.0
   63    68    74    75  -0.07550 -1.0 2.0
   63    68    74    75   0.20000  1.0 3.0
   63    68    74    79   0.86500  1.0 1.0
   63    68    74    79  -0.17500 -1.0 2.0
   63    68    74    79   0.20800  1.0 3.0
   64    63    68    69   0.15000  1.0 3.0
   64    63    68    70   0.15000  1.0 3.0
   64    63    68    74   0.15000  1.0 3.0
   65    63    68    69   0.15000  1.0 3.0
   65    63    68    70   0.15000  1.0 3.0
   65    63    68    74   0.15000  1.0 3.0
   68    74    75    76   0.15000  1.0 3.0
   68    74    75    77   0.15000  1.0 3.0
   68    74    75    78   0.15000  1.0 3.0
   68    74    79    80  -0.11600  1.0 1.0
   68    74    79    80  -0.09450 -1.0 2.0
   68    74    79    80   0.21250  1.0 3.0
   69    68    74    56   0.15000  1.0 3.0
   69    68    74    75   0.15000  1.0 3.0
   69    68    74    79   0.23400  1.0 3.0
   70    68    74    56   0.15000  1.0 3.0
   70    68    74    75   0.15000  1.0 3.0
   70    68    74    79   0.23400  1.0 3.0
   74    56    57    58   0.15000  1.0 3.0
   74    56   -57    63   0.56750  1.0 1.0
   74    56   -57    63  -0.07550 -1.0 2.0
   74    56   -57    63   0.20000  1.0 3.0
   74    56    57    66   0.56750  1.0 1.0
   74    56    57    66  -0.07550 -1.0 2.0
   74    56    57    66   0.20000  1.0 3.0
   74    56    59    60   0.15000  1.0 3.0
   74    56    59    61   0.15000  1.0 3.0
   74    56    59    62   0.15000  1.0 3.0
   75    74    79    80  -0.11600  1.0 1.0
   75    74    79    80  -0.09450 -1.0 2.0
   75    74    79    80   0.21250  1.0 3.0
   79    74    75    76   0.23400  1.0 3.0
   79    74    75    77   0.23400  1.0 3.0
   79    74    75    78   0.23400  1.0 3.0
   66    51    52    53   0.00000  1.0 1.0
   66    51   -52    54  -0.18600  1.0 3.0
   66    57    63    64   0.15000  1.0 3.0
   66    57    63    65   0.15000  1.0 3.0
   66    57    63    68   0.56750  1.0 1.0
   66    57    63    68  -0.07550 -1.0 2.0
   66    57    63    68   0.20000  1.0 3.0
   66    71   -39    33   0.56750  1.0 1.0
   66    71   -39    33  -0.07550 -1.0 2.0
   66    71   -39    33   0.20000  1.0 3.0
   66    71    39    40   0.15000  1.0 3.0
   66    71    39    41   0.15000  1.0 3.0
   67    66    71    72   0.15000  1.0 3.0
   67    66    71    73   0.15000  1.0 3.0
   67    66    71    39   0.15000  1.0 3.0
   72    71    39    33   0.15000  1.0 3.0
   72    71    39    40   0.15000  1.0 3.0
   72    71    39    41   0.15000  1.0 3.0
   73    71    39    33   0.15000  1.0 3.0
   73    71    39    40   0.15000  1.0 3.0
   73    71    39    41   0.15000  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    42   0.09850  1.0 1.0
   39    33    37    42   0.15250 -1.0 2.0
   39    33    37    42  -0.50650  1.0 3.0
   39    33    50    47   0.46850  1.0 1.0
   39    33    50    47   0.08550 -1.0 2.0
   39    33    50    47   0.09800  1.0 3.0
   39    33   -50    51   0.09850  1.0 1.0
   39    33   -50    51   0.15250 -1.0 2.0
   39    33   -50    51  -0.50650  1.0 3.0
   59    56    57    58   0.15000  1.0 3.0
   59    56    57    63   0.56750  1.0 1.0
   59    56    57    63  -0.07550 -1.0 2.0
   59    56    57    63   0.20000  1.0 3.0
   59    56    57    66   0.56750  1.0 1.0
   59    56    57    66  -0.07550 -1.0 2.0
   59    56    57    66   0.20000  1.0 3.0
   59    56    74    68   0.56750  1.0 1.0
   59    56    74    68  -0.07550 -1.0 2.0
   59    56    74    68   0.20000  1.0 3.0
   59    56    74    75   0.56750  1.0 1.0
   59    56    74    75  -0.07550 -1.0 2.0
   59    56    74    75   0.20000  1.0 3.0
   59    56    74    79   0.86500  1.0 1.0
   59    56    74    79  -0.17500 -1.0 2.0
   59    56    74    79   0.20800  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
   33    38    37    42   1.10000 -1.0 2.0
   44    43    42    37   1.10000 -1.0 2.0
   33    47    50    51   1.10000 -1.0 2.0
   52    66    51    50   1.10000 -1.0 2.0
   51    53    52    54   1.10000 -1.0 2.0
   56    55    54    52   1.10000 -1.0 2.0
END
