* LIGAND DATABASE FILE (OPLS2005)
*
001      80    82    147    227     435
    1     0 S   NP   _N1_     1    28.60398    96.59134   -20.22138
    2     1 S   H    _HN1     2     1.02778    85.90854  -107.08902
    3     1 S   H    _H1_     3     1.02956    78.58261     2.52251
    4     1 S   H    _H2_     4     1.02838    44.32612   132.01081
    5     1 S   CT   _CA1     5     1.50108   154.38103   116.24738
    6     5 S   HC   _HA1     6     1.09580   105.24344    70.99698
    7     5 S   CO3  _C1_     7     1.53786   112.23085   -49.17505
    8     7 S   O2Z  _O11     8     1.26356   115.03629   -47.68257
    9     7 S   O2Z  _O12     9     1.26223   114.91434   131.38551
   10     5 S   CT   _CB1    10     1.53096   107.41280  -171.19471
   11    10 S   HC   HB11    11     1.09821   109.35040   -51.05662
   12    10 S   HC   HB12    12     1.09815   110.46780    65.51463
   13    10 S   CT   _CG1    13     1.52976   112.58827  -172.15402
   14    13 S   HC   HG11    14     1.09611   110.39747   -62.34254
   15    13 S   HC   HG12    15     1.09608   109.94921    56.76744
   16    13 S   C    _CD1    16     1.51861   112.29684   176.97780
   17    16 S   O    _OE1    17     1.22735   123.31092    -7.62941
   18    16 S   N    _N2_    18     1.38428   111.63531   172.53781
   19    18 S   H    _HN2    19     1.01564   118.94612     4.78356
   20    18 S   CT1  _CA2    20     1.45959   123.39227  -179.90513
   21    20 S   HC   _HA2    21     1.09696   109.23494    16.28838
   22    20 S   C    _C2_    22     1.52882   107.04397  -100.98507
   23    22 S   O    _O2_    23     1.22976   123.05290   -21.11658
   24    20 S   CT   _CB2    32     1.53266   111.61393   139.19420
   25    24 S   HC   HB21    33     1.09470   109.29601    60.23151
   26    24 S   HC   HB22    34     1.09494   110.94327   178.49963
   27    22 S   N    _N3_    24     1.38613   112.55148   161.65154
   28    27 S   H    _HN3    25     1.01497   119.87182     0.19584
   29    24 S   S    _SG2    35     1.82735   110.82838   -61.40454
   30    27 S   CT   _CA3    26     1.45410   122.27670   175.09799
   31    30 S   HC   HA31    27     1.09567   108.42856    40.29271
   32    30 S   HC   HA32    28     1.09468   107.31495   157.32548
   33    29 S   CT   _C12    36     1.83235    99.63259   156.55617
   34    33 S   HC   _H3_    37     1.09548   105.99686    64.63806
   35    30 S   CO3  _C3_    29     1.53125   113.90791   -82.29584
   36    35 S   O2Z  _O31    30     1.26349   115.98019   -28.48279
   37    35 S   O2Z  _O32    31     1.26430   114.58468   152.16990
   38    33 S   CM   _C6_    38     1.52003   111.27519  -176.48843
   39    38 S   CM   _C5_    39     1.46225   114.97423    98.75076
   40    39 S   CM   _C4_    40     1.34044   118.21150   161.43637
   41    40 S   HC   _H27    41     1.08490   121.40151  -176.13365
   42    39 S   CT   _C11    48     1.51442   120.09089   -14.06477
   43    42 S   HC   _H33    49     1.10081   107.33621   146.13515
   44    40 S   CT   _C10    42     1.48610   120.00351     3.66185
   45    44 S   HC   _H31    43     1.09486   109.37593   142.15837
   46    44 S   HC   _H32    44     1.09574   110.65724   -99.41493
   47    42 S   CO   _C17    50     1.54975   114.18900    27.28785
   48    47 S   HC   _H39    51     1.09616   110.50400  -117.58824
   49    42 S   CM   _C9_    76     1.51736   110.41606   -97.24286
   50    49 S   HC   _H30    77     1.08766   117.81639    59.16022
   51    44 S   OS   _O18    45     1.42949   112.91203    23.44093
   52    33 S   OS   _O19    52     1.43316   115.01394   -50.39269
   53    47 S   OS1  _O25    53     1.43803   107.79625   125.65326
   54    49 S   CM   _C8_    78     1.33863   124.10354  -121.11918
   55    54 S   HC   _H28    79     1.08508   120.45193  -179.70195
   56    54 S   HC   _H29    80     1.08430   121.71063    -0.03956
   57    38 S   CMA  _C7_    46     1.37003   123.20022   -84.48272
   58    57 S   OM   _O17    47     1.26792   125.01025     3.06848
   59    53 S   CO1  _C18    54     1.43454   112.75517   167.58316
   60    59 S   HC   _H40    55     1.09783   109.09472    46.32983
   61    59 S   CT   _C15    56     1.53327   107.31076   165.22030
   62    61 S   HC   _H37    57     1.09675   110.09229    53.31621
   63    61 S   CT   _C13    58     1.52995   111.05168   175.35928
   64    63 S   HC   _H35    59     1.09664   110.35076    72.71867
   65    61 S   OH5  _O23    74     1.42972   109.99332   -63.53900
   66    65 S   HO   _H45    75     0.97244   108.16334   -58.33984
   67    63 S   CT   _C14    60     1.53086   111.09547   -50.01549
   68    67 S   HC   _H36    61     1.09648   108.59579   -71.55751
   69    63 S   OH5  _O21    72     1.42970   109.60742  -171.31384
   70    69 S   HO   _H43    73     0.97248   108.08556    61.14644
   71    67 S   CT   _C16    62     1.53470   110.75361    50.09243
   72    71 S   HC   _H38    63     1.09819   110.25486    64.69371
   73    67 S   OH5  _O22    70     1.42658   109.66814   171.88083
   74    73 S   HO   _H44    71     0.97265   108.18924   -59.56438
   75    59 S   OS1  _O20    64     1.42997   110.63844   -74.57415
   76    71 S   CT   _C19    65     1.53181   112.38935  -175.78806
   77    76 S   HC   _H41    66     1.09443   110.94985   -64.52771
   78    76 S   HC   _H42    67     1.09308   110.34186   174.64357
   79    76 S   OH5  _O24    68     1.42305   110.65562    55.86961
   80    79 S   HO   _H46    69     0.97228   107.07829   178.85739
  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   7   5   4   3
  12   5   2   1   1  12  17  10   5  13   7   5   3   2  10   4
   6   3   2   3   8   2   1   1   1   1  13   6  12   7  13   7
   4   1  12   7   3   1   9   6   3   1   4   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    52    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    57    47    52  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    51    57    58    42    47    48    52    53  
   38    39    57    47    52  
   36    37  
   37  
    0  
   39    40    41    44    51    57    58    42    43    47    52    49  
   40    41    44    45    46    51    57    58    42    43    47    48    52    53    49    50    54  
   41    44    45    46    51    57    42    43    47    49  
   44    45    46    51    42  
   43    47    48    52    53    59    49    50    54    55    56    44    57  
   47    48    52    53    49    50    54  
   45    46    51    57    58  
   46    51    57  
   51    57  
   48    52    53    59    60    61    75    49    50    54  
   52    53    59    49  
   50    54    55    56    52    53  
   54    55    56  
   57    58  
   53    59    57  
   59    60    61    62    63    71    75    65  
   55    56  
   56  
    0  
   58  
    0  
   60    61    62    63    64    67    71    72    75    76    69    65    66  
   61    62    63    71    75    65  
   62    63    64    67    68    71    75    73    69    70    65    66  
   63    64    67    75    69    65    66  
   64    67    68    71    72    75    76    73    74    69    70    65    66  
   67    68    71    73    69    70    65  
   66    67    69    75  
    0  
   68    71    72    75    76    77    78    79    73    74    69    70  
   71    72    75    76    73    74    69  
   70    71    73  
    0  
   72    75    76    77    78    79    80    73    74  
   75    76    77    78    79    73  
   74    75    76  
    0  
   76    77    78    79  
   77    78    79    80  
   78    79    80  
   79    80  
   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  -0.316400   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   0.387900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.670200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.209000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.100000   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   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   52   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   53   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   54   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   58   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   59   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   75   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   76   3.5000   0.0660   0.145000   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   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    52   320.000  1.410
   38    39   380.000  1.444
   38    57   465.000  1.376
   39    40   549.000  1.340
   39    42   317.000  1.510
   40    41   340.000  1.080
   40    44   317.000  1.510
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    51   320.000  1.410
   51    57   440.000  1.360
   57    58   745.000  1.250
   42    43   340.000  1.090
   42    47   250.000  1.527
   42    49   317.000  1.510
   47    48   340.000  1.090
   47    52   320.000  1.380
   47    53   320.000  1.380
   53    59   370.000  1.399
   59    60   360.000  1.097
   59    61   255.000  1.525
   59    75   370.000  1.399
   61    62   340.000  1.090
   61    63   268.000  1.529
   61    65   355.000  1.421
   63    64   340.000  1.090
   63    67   268.000  1.529
   63    69   355.000  1.421
   67    68   340.000  1.090
   67    71   268.000  1.529
   67    73   355.000  1.421
   71    72   340.000  1.090
   71    75   335.000  1.422
   71    76   268.000  1.529
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   355.000  1.421
   79    80   580.000  0.967
   73    74   580.000  0.967
   69    70   580.000  0.967
   65    66   580.000  0.967
   49    50   340.000  1.080
   49    54   549.000  1.340
   54    55   340.000  1.080
   54    56   340.000  1.080
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    52    85.00000  114.68000
   33    38    39    70.00000  124.00000
   33    38    57    70.00000  124.00000
   33    52    47    60.00000  109.50000
   38    33    34    35.00000  109.50000
   38    39    40    70.00000  123.01800
   38    39    42    70.00000  124.00000
   38    57    51    80.00000  120.01400
   38    57    58    65.00000  137.10300
   39    40    41    35.00000  120.00000
   39    40    44    70.00000  124.00000
   39    42    43    35.00000  109.50000
   39    42    47    70.00000  112.02700
   39    42    49    70.00000  110.12100
   40    44    45    35.00000  109.50000
   40    44    46    35.00000  109.50000
   40    44    51    85.00000  110.90400
   44    40    41    35.00000  117.00000
   44    51    57    90.00000  111.18400
   46    44    45    33.00000  107.80000
   51    44    45    35.00000  109.50000
   51    44    46    35.00000  109.50000
   51    57    58    65.00000  121.00000
   57    38    39    70.00000  117.34000
   42    39    40    70.00000  124.00000
   42    47    48    45.00000  112.01100
   42    47    52    90.00000  108.56700
   42    47    53    90.00000  108.56700
   42    49    50    35.00000  117.00000
   42    49    54    70.00000  124.00000
   47    42    43    45.00000  108.72000
   47    53    59    90.00000  112.10700
   52    33    34    35.00000  109.50000
   52    33    38    85.00000  110.90400
   52    47    48    35.00000  109.50000
   53    47    48    35.00000  109.50000
   53    47    52    92.60000  111.55000
   53    59    60    60.00000  105.75400
   53    59    61    90.00000  109.70700
   53    59    75   110.00000  113.16000
   59    61    62    45.00000  109.54000
   59    61    63    70.00000  111.10000
   59    61    65    90.00000  109.42000
   59    75    71    90.00000  112.10700
   61    59    60    45.00000  111.65000
   61    63    64    37.50000  110.70000
   61    63    67    58.35000  112.70000
   61    63    69    90.00000  111.45300
   61    65    66    65.00000  108.53500
   63    61    62    37.50000  110.70000
   63    67    68    37.50000  110.70000
   63    67    71    58.35000  112.70000
   63    67    73    90.00000  111.45300
   63    69    70    65.00000  108.53500
   67    63    64    37.50000  110.70000
   67    71    72    37.50000  110.70000
   67    71    75    95.00000  107.88500
   67    71    76    58.35000  112.70000
   67    73    74    65.00000  108.53500
   71    67    68    37.50000  110.70000
   71    76    77    37.50000  110.70000
   71    76    78    37.50000  110.70000
   71    76    79    90.00000  111.45300
   75    59    60    60.00000  105.75400
   75    59    61    90.00000  109.70700
   75    71    72    55.00000  108.98800
   76    71    72    37.50000  110.70000
   76    71    75    95.00000  107.88500
   76    79    80    65.00000  108.53500
   78    76    77    33.00000  107.80000
   79    76    77    60.00000  109.39000
   79    76    78    60.00000  109.39000
   73    67    68    60.00000  109.39000
   73    67    71    90.00000  111.45300
   69    63    64    60.00000  109.39000
   69    63    67    90.00000  111.45300
   65    61    62    60.00000  109.39000
   65    61    63    90.00000  111.45300
   49    42    43    35.00000  109.50000
   49    42    47    70.00000  112.02700
   49    54    55    35.00000  120.00000
   49    54    56    35.00000  120.00000
   54    49    50    35.00000  120.00000
   56    54    55    35.00000  117.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    52   0.13850  1.0 1.0
   24    29    33    52  -1.34450 -1.0 2.0
   24    29    33    52   0.57400  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   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    57   0.42700  1.0 1.0
   29    33    38    57  -0.70350 -1.0 2.0
   29    33    38    57  -0.43150  1.0 3.0
   29    33    52    47   0.14700  1.0 1.0
   29    33    52    47  -1.16150 -1.0 2.0
   29    33    52    47   0.48700  1.0 3.0
   33    38    39    40  -0.18600  1.0 3.0
   33    38    39    42   0.35650  1.0 1.0
   33    38    39    42   0.31450 -1.0 2.0
   33    38    57    51   7.00000 -1.0 2.0
   33    38    57    58   7.00000 -1.0 2.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    57   0.00000  1.0 1.0
   34    33    52    47   0.37050  1.0 3.0
   38    33    52    47  -0.77900  1.0 1.0
   38    33    52    47  -0.36900 -1.0 2.0
   38    33    52    47   0.40400  1.0 3.0
   38    39    40    41   7.00000 -1.0 2.0
   38    39    40    44   7.00000 -1.0 2.0
   38    39    42    43   0.00000  1.0 1.0
   38    39   -42    47   0.98200  1.0 1.0
   38    39   -42    47  -0.11900 -1.0 2.0
   38    39   -42    47   0.24250  1.0 3.0
   38    39    42    49  -0.28300  1.0 1.0
   38    39    42    49   0.26700 -1.0 2.0
   38    39    42    49  -0.63300  1.0 3.0
   39    38    57    51   7.00000 -1.0 2.0
   39    38    57    58   7.00000 -1.0 2.0
   39    40    44    45   0.00000  1.0 1.0
   39    40    44    46   0.00000  1.0 1.0
   39    40   -44    51   0.39000  1.0 1.0
   39    40   -44    51  -0.05800 -1.0 2.0
   39    40   -44    51  -0.55150  1.0 3.0
   39    42    47    48   0.15000  1.0 3.0
   39    42    47    52   0.61850  1.0 1.0
   39    42    47    52  -0.22750 -1.0 2.0
   39    42    47    52   0.15300  1.0 3.0
   39    42    47    53   0.61850  1.0 1.0
   39    42    47    53  -0.22750 -1.0 2.0
   39    42    47    53   0.15300  1.0 3.0
   39    42    49    50   0.00000  1.0 1.0
   39    42    49    54  -0.28300  1.0 1.0
   39    42    49    54   0.26700 -1.0 2.0
   39    42    49    54  -0.63300  1.0 3.0
   40    39    42    43   0.00000  1.0 1.0
   40    39    42    47   0.09850  1.0 1.0
   40    39    42    47   0.15250 -1.0 2.0
   40    39    42    47  -0.50650  1.0 3.0
   40    39    42    49  -0.28300  1.0 1.0
   40    39    42    49   0.26700 -1.0 2.0
   40    39    42    49  -0.63300  1.0 3.0
   40    44    51    57  -0.48150  1.0 1.0
   40    44    51    57   0.09250 -1.0 2.0
   40    44    51    57  -0.12850  1.0 3.0
   41    40    44    45   0.33100  1.0 3.0
   41    40    44    46   0.33100  1.0 3.0
   41    40    44    51   0.00000  1.0 1.0
   44    51   -57    38  -2.26850  1.0 1.0
   44    51   -57    38   3.39050 -1.0 2.0
   44    51    57    58   2.00000 -1.0 2.0
   45    44    51    57   0.08050  1.0 3.0
   46    44    51    57   0.08050  1.0 3.0
   57    38   -39    40   0.28850  1.0 1.0
   57    38   -39    40   2.61350 -1.0 2.0
   57    38   -39    40   0.78400  1.0 3.0
   57    38    39    42  -0.18600  1.0 3.0
   42    39    40    41   7.00000 -1.0 2.0
   42    39    40    44   7.00000 -1.0 2.0
   42    47   -52    33   0.06250  1.0 1.0
   42    47   -52    33  -0.01100 -1.0 2.0
   42    47   -52    33   0.28050  1.0 3.0
   42    47    53    59   0.06250  1.0 1.0
   42    47    53    59  -0.01100 -1.0 2.0
   42    47    53    59   0.28050  1.0 3.0
   42    49    54    55   7.00000 -1.0 2.0
   42    49    54    56   7.00000 -1.0 2.0
   43    42    47    48   0.15000  1.0 3.0
   43    42    47    52   0.23400  1.0 3.0
   43    42    47    53   0.23400  1.0 3.0
   43    42    49    50   0.33100  1.0 3.0
   43    42    49    54   0.00000  1.0 1.0
   47    42    49    50   0.00000  1.0 1.0
   47    42    49    54   0.09850  1.0 1.0
   47    42    49    54   0.15250 -1.0 2.0
   47    42    49    54  -0.50650  1.0 3.0
   47    53    59    60   0.37050  1.0 3.0
   47    53    59    61   0.06250  1.0 1.0
   47    53    59    61  -0.01100 -1.0 2.0
   47    53    59    61   0.28050  1.0 3.0
   47    53    59    75  -0.12700  1.0 1.0
   47    53    59    75  -1.16200 -1.0 2.0
   47    53    59    75   0.58800  1.0 3.0
   48    47    52    33   0.37050  1.0 3.0
   48    47    53    59   0.37050  1.0 3.0
   52    33   -38    39   0.39000  1.0 1.0
   52    33   -38    39  -0.05800 -1.0 2.0
   52    33   -38    39  -0.55150  1.0 3.0
   52    33    38    57   0.39000  1.0 1.0
   52    33    38    57  -0.05800 -1.0 2.0
   52    33    38    57  -0.55150  1.0 3.0
   52    47    53    59  -0.53350  1.0 1.0
   52    47    53    59  -0.78350 -1.0 2.0
   52    47    53    59   0.33750  1.0 3.0
   53    47    52    33  -0.81800  1.0 1.0
   53    59    61    62   0.23400  1.0 3.0
   53    59    61    63   0.62750  1.0 1.0
   53    59    61    63  -0.30950 -1.0 2.0
   53    59    61    63   0.27300  1.0 3.0
   53    59    61    65   1.51850  1.0 1.0
   53    59    75    71  -0.70400  1.0 1.0
   53    59    75    71  -0.90350 -1.0 2.0
   59    61    63    64   0.15000  1.0 3.0
   59    61    63    67   0.56750  1.0 1.0
   59    61    63    67  -0.07550 -1.0 2.0
   59    61    63    67   0.20000  1.0 3.0
   59    61    63    69  -0.47750  1.0 1.0
   59    61    65    66   0.29150  1.0 1.0
   59    61    65    66  -0.28350 -1.0 2.0
   59    61    65    66   0.43600  1.0 3.0
   60    59    61    62   0.15000  1.0 3.0
   60    59    61    63   0.15000  1.0 3.0
   60    59    61    65   0.23400  1.0 3.0
   60    59    75    71   0.37050  1.0 3.0
   61    59    75    71   0.06250  1.0 1.0
   61    59    75    71  -0.01100 -1.0 2.0
   61    59    75    71   0.28050  1.0 3.0
   61    63    67    68   0.15000  1.0 3.0
   61    63   -67    71   0.56750  1.0 1.0
   61    63   -67    71  -0.07550 -1.0 2.0
   61    63   -67    71   0.20000  1.0 3.0
   61    63    67    73  -0.47750  1.0 1.0
   61    63    69    70   0.29150  1.0 1.0
   61    63    69    70  -0.28350 -1.0 2.0
   61    63    69    70   0.43600  1.0 3.0
   62    61    63    64   0.15000  1.0 3.0
   62    61    63    67   0.15000  1.0 3.0
   62    61    63    69   0.23400  1.0 3.0
   62    61    65    66   0.19450  1.0 3.0
   63    61    65    66   0.29150  1.0 1.0
   63    61    65    66  -0.28350 -1.0 2.0
   63    61    65    66   0.43600  1.0 3.0
   63    67    71    72   0.15000  1.0 3.0
   63    67    71    75   0.62750  1.0 1.0
   63    67    71    75  -0.30950 -1.0 2.0
   63    67    71    75   0.27300  1.0 3.0
   63    67    71    76   0.56750  1.0 1.0
   63    67    71    76  -0.07550 -1.0 2.0
   63    67    71    76   0.20000  1.0 3.0
   63    67    73    74   0.29150  1.0 1.0
   63    67    73    74  -0.28350 -1.0 2.0
   63    67    73    74   0.43600  1.0 3.0
   64    63    67    68   0.15000  1.0 3.0
   64    63    67    71   0.15000  1.0 3.0
   64    63    67    73   0.23400  1.0 3.0
   64    63    69    70   0.19450  1.0 3.0
   67    63    69    70   0.29150  1.0 1.0
   67    63    69    70  -0.28350 -1.0 2.0
   67    63    69    70   0.43600  1.0 3.0
   67    71   -75    59   0.06250  1.0 1.0
   67    71   -75    59  -0.01100 -1.0 2.0
   67    71   -75    59   0.28050  1.0 3.0
   67    71    76    77   0.15000  1.0 3.0
   67    71    76    78   0.15000  1.0 3.0
   67    71    76    79  -0.47750  1.0 1.0
   68    67    71    72   0.15000  1.0 3.0
   68    67    71    75   0.23400  1.0 3.0
   68    67    71    76   0.15000  1.0 3.0
   68    67    73    74   0.19450  1.0 3.0
   71    67    73    74   0.29150  1.0 1.0
   71    67    73    74  -0.28350 -1.0 2.0
   71    67    73    74   0.43600  1.0 3.0
   71    76    79    80   0.29150  1.0 1.0
   71    76    79    80  -0.28350 -1.0 2.0
   71    76    79    80   0.43600  1.0 3.0
   72    71    75    59   0.37050  1.0 3.0
   72    71    76    77   0.15000  1.0 3.0
   72    71    76    78   0.15000  1.0 3.0
   72    71    76    79   0.23400  1.0 3.0
   75    59    61    62   0.23400  1.0 3.0
   75    59   -61    63   0.62750  1.0 1.0
   75    59   -61    63  -0.30950 -1.0 2.0
   75    59   -61    63   0.27300  1.0 3.0
   75    59    61    65   1.51850  1.0 1.0
   75    71    76    77   0.23400  1.0 3.0
   75    71    76    78   0.23400  1.0 3.0
   75    71    76    79   1.51850  1.0 1.0
   76    71    75    59   0.06250  1.0 1.0
   76    71    75    59  -0.01100 -1.0 2.0
   76    71    75    59   0.28050  1.0 3.0
   77    76    79    80   0.19450  1.0 3.0
   78    76    79    80   0.19450  1.0 3.0
   73    67    71    72   0.23400  1.0 3.0
   73    67    71    75   1.51850  1.0 1.0
   73    67    71    76  -0.47750  1.0 1.0
   69    63    67    68   0.23400  1.0 3.0
   69    63    67    71  -0.47750  1.0 1.0
   69    63    67    73   3.77950  1.0 1.0
   65    61    63    64   0.23400  1.0 3.0
   65    61    63    67  -0.47750  1.0 1.0
   65    61    63    69   3.77950  1.0 1.0
   49    42    47    48   0.15000  1.0 3.0
   49    42    47    52   0.61850  1.0 1.0
   49    42    47    52  -0.22750 -1.0 2.0
   49    42    47    52   0.15300  1.0 3.0
   49    42    47    53   0.61850  1.0 1.0
   49    42    47    53  -0.22750 -1.0 2.0
   49    42    47    53   0.15300  1.0 3.0
   50    49    54    55   7.00000 -1.0 2.0
   50    49    54    56   7.00000 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    57   1.10000 -1.0 2.0
   38    42    39    40   1.10000 -1.0 2.0
   44    41    40    39   1.10000 -1.0 2.0
   51    58    57    38   1.10000 -1.0 2.0
   42    50    49    54  15.00000 -1.0 2.0
   55    56    54    49  15.00000 -1.0 2.0
END
