* LIGAND DATABASE FILE (OPLS2005)
*
001      83    85    156    245     461
    1     0 S   NP   _N1_     1    28.93629    96.20680   -25.19394
    2     1 S   H    _HN1     2     1.02792   117.43378   -98.55354
    3     1 S   H    _H1_     3     1.02948    73.13203     3.78450
    4     1 S   H    _H2_     4     1.02828    34.02408  -179.89721
    5     1 S   CT   _CA1     5     1.50119   125.95159   107.10716
    6     5 S   HC   _HA1     6     1.09574   105.17074    94.17987
    7     5 S   CO3  _C1_     7     1.53767   112.46665   -26.03578
    8     7 S   O2Z  _O11     8     1.26374   115.00807   -42.71142
    9     7 S   O2Z  _O12     9     1.26236   114.93822   136.33990
   10     5 S   CT   _CB1    10     1.53065   107.41009  -147.85697
   11    10 S   HC   HB11    11     1.09839   109.32372   -49.55675
   12    10 S   HC   HB12    12     1.09811   110.47622    67.03321
   13    10 S   CT   _CG1    13     1.53017   112.64036  -170.50533
   14    13 S   HC   HG11    14     1.09572   110.71144   -67.12586
   15    13 S   HC   HG12    15     1.09670   109.71564    52.12371
   16    13 S   C    _CD1    16     1.51811   112.03775   172.58725
   17    16 S   O    _OE1    17     1.22752   123.20212    11.22007
   18    16 S   N    _N2_    18     1.38651   111.80939  -168.81449
   19    18 S   H    _HN2    19     1.01579   118.97733     1.15148
   20    18 S   CT1  _CA2    20     1.46211   123.35328   176.55411
   21    20 S   HC   _HA2    21     1.09739   109.29282     6.30036
   22    20 S   C    _C2_    22     1.53645   108.81034  -109.17918
   23    22 S   O    _O2_    23     1.23076   122.23453  -148.79496
   24    20 S   CT   _CB2    32     1.53324   111.65291   128.28750
   25    24 S   HC   HB21    33     1.09528   110.02012    56.76748
   26    24 S   HC   HB22    34     1.09521   110.09135   175.79616
   27    22 S   N    _N3_    24     1.38311   113.83496    38.70257
   28    27 S   H    _HN3    25     1.01553   119.61244    -3.23688
   29    24 S   S    _SG2    35     1.82747   111.50214   -64.47262
   30    27 S   CT   _CA3    26     1.45287   123.28831   177.18499
   31    30 S   HC   HA31    27     1.09547   107.50724   -64.88403
   32    30 S   HC   HA32    28     1.09555   108.00347    51.57816
   33    29 S   CT   _C13    36     1.83180    99.58157  -176.44477
   34    33 S   HC   _H3_    37     1.09560   108.54374    43.63359
   35    30 S   CO3  _C3_    29     1.52979   114.03135   173.57532
   36    35 S   O2Z  _O31    30     1.26385   116.06586    -0.63796
   37    35 S   O2Z  _O32    31     1.26423   114.42193   179.42563
   38    33 S   CM   _C4_    38     1.49033   109.10148   -77.23587
   39    38 S   HC   _H28    39     1.08338   122.60898    69.69408
   40    38 S   CMA  _C5_    40     1.34238   114.35116  -108.64758
   41    40 S   OM   _O21    41     1.25899   132.48421   177.28610
   42    40 S   CT   _C19    42     1.55867   110.52935    -1.73630
   43    33 S   CT   _C17    43     1.55508   117.43699   167.46474
   44    43 S   HC   _H36    44     1.10143   104.14868  -151.68760
   45    42 S   CT   _C18    60     1.57195   111.71579  -130.58449
   46    45 S   HC   _H37    61     1.09771   107.93938   -62.64312
   47    42 S   CT   _C23    80     1.54521   108.40499   106.17487
   48    47 S   HC   _H47    81     1.09096   113.06663  -175.08725
   49    47 S   HC   _H48    82     1.09646   111.09867    65.15757
   50    47 S   HC   _H49    83     1.09524   111.78241   -54.18479
   51    43 S   CT   _C15    45     1.53725   115.83636   -36.22632
   52    51 S   HC   _H34    46     1.09641   109.38995    54.58932
   53    45 S   OS   _O26    62     1.46490   107.34952    53.06910
   54    51 S   CO4  _C8_    47     1.51857   114.46915   171.75745
   55    54 S   O    _O23    48     1.23594   118.82890  -148.34884
   56    53 S   CO4  _C12    63     1.35986   118.25853  -142.80314
   57    56 S   O    _O24    64     1.21904   126.98719    -3.32307
   58    51 S   CT   _C22    76     1.53150   111.92118   -65.43295
   59    58 S   HC   _H44    77     1.09568   111.22944   -60.64163
   60    58 S   HC   _H45    78     1.09587   110.82651  -179.81762
   61    58 S   HC   _H46    79     1.09361   111.81152    60.17639
   62    54 S   CT   _C16    49     1.52668   119.48895    35.64614
   63    62 S   HC   _H35    50     1.09421   109.70442    50.22158
   64    56 S   CM   _C10    65     1.48177   106.96979   176.40975
   65    64 S   HC   _H31    66     1.08776   114.98392   -22.93729
   66    62 S   CT   _C14    51     1.51930   117.57441   -80.14624
   67    66 S   HC   _H33    52     1.10317   104.91717   175.27437
   68    64 S   CM   _C11    67     1.34541   125.44101   158.27044
   69    66 S   CM   _C6_    53     1.49205    99.97624   -78.26534
   70    68 S   CT   _C20    68     1.50694   119.81658   177.37579
   71    70 S   HC   _H38    69     1.09498   110.32106   118.40414
   72    70 S   HC   _H39    70     1.09520   112.43988    -1.76103
   73    70 S   HC   _H40    71     1.09505   110.16764  -121.75721
   74    68 S   CT   _C21    72     1.50330   126.10337    -3.33865
   75    74 S   HC   _H41    73     1.09454   110.15062   105.53198
   76    74 S   HC   _H42    74     1.09176   113.50756   -16.47036
   77    74 S   HC   _H43    75     1.09582   110.11896  -135.23965
   78    69 S   CO4  _C7_    54     1.48372   106.51206   -30.44330
   79    78 S   O    _O22    55     1.21695   127.32605  -165.70524
   80    69 S   CM   _C9_    57     1.33464   131.55383   149.93595
   81    80 S   HC   _H29    58     1.08423   121.45053     0.12195
   82    80 S   HC   _H30    59     1.08531   121.47869   179.91153
   83    62 S   OS   _O25    56     1.44949   105.34700   166.13828
  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   9   5   4   3
  14   7   2   1   1   9   4  13   4  18  18   6  19   7   6   2
   1   1  11   7   9  12   5   7   3   4   2   1   1   8   5  10
   3   8   4   8   6   7   3   2   1   3   2   1   1   5   2   3
   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    43    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    43    44    51  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    51    52    54    45    58    47  
   38    39    40    42    43    44    51  
   36    37  
   37  
    0  
   39    40    41    42    43    44    51    45    47  
   40    41    42    43  
   41    42    43    44    51    66    45    46    53    47    48    49    50  
   42    43    45    47  
   43    44    51    52    54    62    66    67    69    45    46    53    56    58    47    48    49    50  
   44    51    52    54    55    62    66    45    46    53    58    59    60    61    47    48    49    50  
   51    52    54    45    58    47  
   46    53    56    57    64    47    48    49    50    51    54    62    63    66    67    69    78    80    83  
   53    56    47    62    66    67    69  
   48    49    50    51    53    66  
   49    50  
   50  
    0  
   52    54    55    62    63    66    83    58    59    60    61  
   54    55    62    58    59    60    61  
   56    57    64    65    68    62    66    67    69  
   55    62    63    66    67    69    78    83    58    59    60    61  
   62    63    66    83    58  
   57    64    65    68    70    74    66  
   64    65    68  
   59    60    61    62  
   60    61  
   61  
    0  
   63    66    67    69    78    79    83    80  
   66    67    69    78    83  
   65    68    70    71    72    73    74    75    76    77  
   68    70    74  
   67    69    78    79    83    80    81    82  
   69    78    83    80  
   70    71    72    73    74    75    76    77  
   78    79    83    80    81    82  
   71    72    73    74    75    76    77  
   72    73    74  
   73    74  
   74  
   75    76    77  
   76    77  
   77  
    0  
   79    83    80    81    82  
   83    80  
   81    82    83  
   82  
    0  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   43   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   46   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   54   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.268000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   64   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   69   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   70   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   79   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   80   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   81   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   82   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   83   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
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    43   268.000  1.529
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   270.000  1.512
   42    43   268.000  1.529
   42    45   268.000  1.529
   42    47   268.000  1.529
   43    44   340.000  1.090
   43    51   268.000  1.529
   51    52   340.000  1.090
   51    54   317.000  1.522
   51    58   268.000  1.529
   54    55   570.000  1.229
   54    62   317.000  1.522
   62    63   340.000  1.090
   62    66   268.000  1.529
   62    83   320.000  1.410
   66    67   340.000  1.090
   66    69   317.000  1.510
   66    45   268.000  1.529
   69    78   320.000  1.462
   69    80   549.000  1.340
   78    79   570.000  1.229
   78    83   214.000  1.327
   80    81   340.000  1.080
   80    82   340.000  1.080
   45    46   340.000  1.090
   45    53   320.000  1.410
   53    56   214.000  1.327
   56    57   570.000  1.229
   56    64   320.000  1.462
   64    65   340.000  1.080
   64    68   549.000  1.340
   68    70   317.000  1.510
   68    74   317.000  1.510
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  112.20000
   29    33    43    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    43    42    58.35000  112.70000
   33    43    44    37.50000  110.70000
   33    43    51    58.35000  112.70000
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    65.00000  122.18000
   40    38    39    40.00000  120.50800
   40    42    43    70.00000  112.02700
   40    42    45    70.00000  112.02700
   40    42    47    70.00000  112.02700
   42    40    41    85.00000  112.85300
   42    43    44    37.50000  110.70000
   42    43    51    58.35000  112.70000
   42    45    66    58.35000  112.70000
   42    45    46    37.50000  110.70000
   42    45    53    50.00000  109.50000
   42    47    48    37.50000  110.70000
   42    47    49    37.50000  110.70000
   42    47    50    37.50000  110.70000
   43    33    34    37.50000  110.70000
   43    33    38    70.00000  112.02700
   43    51    52    37.50000  110.70000
   43    51    54    63.00000  111.10000
   43    51    58    58.35000  112.70000
   51    43    44    37.50000  110.70000
   51    54    55    80.00000  120.40000
   51    54    62    70.00000  116.00000
   51    58    59    37.50000  110.70000
   51    58    60    37.50000  110.70000
   51    58    61    37.50000  110.70000
   54    51    52    35.00000  109.50000
   54    62    63    35.00000  109.50000
   54    62    66    63.00000  111.10000
   54    62    83    90.00000  108.74100
   62    54    55    80.00000  120.40000
   62    66    67    37.50000  110.70000
   62    66    69    70.00000  112.02700
   62    66    45    58.35000  112.70000
   62    83    78    83.00000  116.90000
   66    62    63    37.50000  110.70000
   66    69    78    65.00000  116.34900
   66    69    80    70.00000  124.00000
   66    45    46    37.50000  110.70000
   66    45    53    50.00000  109.50000
   69    66    67    35.00000  109.50000
   69    78    79    80.00000  123.72100
   69    78    83    90.00000  111.29400
   69    80    81    35.00000  120.00000
   69    80    82    35.00000  120.00000
   83    62    63    35.00000  109.50000
   83    62    66    50.00000  109.50000
   83    78    79    83.00000  123.40000
   80    69    78    65.00000  118.96000
   82    80    81    35.00000  117.00000
   45    42    43    58.35000  112.70000
   45    66    67    37.50000  110.70000
   45    66    69    70.00000  112.02700
   45    53    56    83.00000  116.90000
   53    45    46    35.00000  109.50000
   53    56    57    83.00000  123.40000
   53    56    64    90.00000  111.29400
   56    64    65    40.00000  117.72500
   56    64    68    65.00000  118.96000
   64    56    57    80.00000  123.72100
   64    68    70    70.00000  124.00000
   64    68    74    70.00000  124.00000
   68    64    65    35.00000  120.00000
   68    70    71    35.00000  109.50000
   68    70    72    35.00000  109.50000
   68    70    73    35.00000  109.50000
   68    74    75    35.00000  109.50000
   68    74    76    35.00000  109.50000
   68    74    77    35.00000  109.50000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   74    68    70    65.00000  117.92700
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   58    51    52    37.50000  110.70000
   58    51    54    63.00000  111.10000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   47    42    43    58.35000  112.70000
   47    42    45    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    43    42   0.44750  1.0 1.0
   29    33    43    42  -0.17800 -1.0 2.0
   29    33    43    42   0.20200  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    51   0.44750  1.0 1.0
   29    33    43    51  -0.17800 -1.0 2.0
   29    33    43    51   0.20200  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38   -40    42   7.00000 -1.0 2.0
   33    43    51    52   0.15000  1.0 3.0
   33    43    51    54  -0.95700  1.0 1.0
   33    43    51    54  -0.18200 -1.0 2.0
   33    43    51    54   0.29450  1.0 3.0
   33    43    51    58   0.56750  1.0 1.0
   33    43    51    58  -0.07550 -1.0 2.0
   33    43    51    58   0.20000  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    43    42   0.15000  1.0 3.0
   34    33    43    44   0.15000  1.0 3.0
   34    33    43    51   0.15000  1.0 3.0
   38    33   -43    42   0.34400  1.0 1.0
   38    33   -43    42   0.09450 -1.0 2.0
   38    33   -43    42   0.11100  1.0 3.0
   38    33    43    44   0.15000  1.0 3.0
   38    33    43    51   0.34400  1.0 1.0
   38    33    43    51   0.09450 -1.0 2.0
   38    33    43    51   0.11100  1.0 3.0
   38    40   -42    43   0.09850  1.0 1.0
   38    40   -42    43   0.15250 -1.0 2.0
   38    40   -42    43  -0.50650  1.0 3.0
   38    40    42    45   0.09850  1.0 1.0
   38    40    42    45   0.15250 -1.0 2.0
   38    40    42    45  -0.50650  1.0 3.0
   38    40    42    47   0.09850  1.0 1.0
   38    40    42    47   0.15250 -1.0 2.0
   38    40    42    47  -0.50650  1.0 3.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42   -43    33   0.34400  1.0 1.0
   40    42   -43    33   0.09450 -1.0 2.0
   40    42   -43    33   0.11100  1.0 3.0
   40    42    43    44   0.15000  1.0 3.0
   40    42    43    51   0.34400  1.0 1.0
   40    42    43    51   0.09450 -1.0 2.0
   40    42    43    51   0.11100  1.0 3.0
   40    42    45    66   0.34400  1.0 1.0
   40    42    45    66   0.09450 -1.0 2.0
   40    42    45    66   0.11100  1.0 3.0
   40    42    45    46   0.15000  1.0 3.0
   40    42    45    53   0.61850  1.0 1.0
   40    42    45    53  -0.22750 -1.0 2.0
   40    42    45    53   0.15300  1.0 3.0
   40    42    47    48   0.15000  1.0 3.0
   40    42    47    49   0.15000  1.0 3.0
   40    42    47    50   0.15000  1.0 3.0
   41    40    42    43   0.09700  1.0 1.0
   41    40    42    43   0.15600 -1.0 2.0
   41    40    42    43  -0.50800  1.0 3.0
   41    40    42    45   0.09700  1.0 1.0
   41    40    42    45   0.15600 -1.0 2.0
   41    40    42    45  -0.50800  1.0 3.0
   41    40    42    47   0.09700  1.0 1.0
   41    40    42    47   0.15600 -1.0 2.0
   41    40    42    47  -0.50800  1.0 3.0
   42    43    51    52   0.15000  1.0 3.0
   42    43    51    54  -0.95700  1.0 1.0
   42    43    51    54  -0.18200 -1.0 2.0
   42    43    51    54   0.29450  1.0 3.0
   42    43    51    58   0.56750  1.0 1.0
   42    43    51    58  -0.07550 -1.0 2.0
   42    43    51    58   0.20000  1.0 3.0
   42    45    53    56  -0.25900  1.0 1.0
   42    45    53    56  -0.47000 -1.0 2.0
   42    45    53    56   0.11750  1.0 3.0
   43    33    38    39   0.00000  1.0 1.0
   43    33   -38    40   0.09850  1.0 1.0
   43    33   -38    40   0.15250 -1.0 2.0
   43    33   -38    40  -0.50650  1.0 3.0
   43    42    45    66   0.56750  1.0 1.0
   43    42    45    66  -0.07550 -1.0 2.0
   43    42    45    66   0.20000  1.0 3.0
   43    42    45    46   0.15000  1.0 3.0
   43    42    45    53   0.62750  1.0 1.0
   43    42    45    53  -0.30950 -1.0 2.0
   43    42    45    53   0.27300  1.0 3.0
   43    42    47    48   0.15000  1.0 3.0
   43    42    47    49   0.15000  1.0 3.0
   43    42    47    50   0.15000  1.0 3.0
   43    51    54    55   0.30150 -1.0 2.0
   43    51    54    62   0.60050  1.0 1.0
   43    51    54    62   0.05600 -1.0 2.0
   43    51    54    62   0.26150  1.0 3.0
   43    51    58    59   0.15000  1.0 3.0
   43    51    58    60   0.15000  1.0 3.0
   43    51    58    61   0.15000  1.0 3.0
   44    43    51    52   0.15000  1.0 3.0
   44    43    51    54  -0.11250  1.0 3.0
   44    43    51    58   0.15000  1.0 3.0
   51    54    62    63   0.00000  1.0 1.0
   51    54    62    66   0.60050  1.0 1.0
   51    54    62    66   0.05600 -1.0 2.0
   51    54    62    66   0.26150  1.0 3.0
   51    54    62    83   0.55300  1.0 1.0
   51    54    62    83   1.25850 -1.0 2.0
   51    54    62    83  -0.23600  1.0 3.0
   52    51    54    55   0.00000  1.0 1.0
   52    51    54    62   0.00000  1.0 1.0
   52    51    58    59   0.15000  1.0 3.0
   52    51    58    60   0.15000  1.0 3.0
   52    51    58    61   0.15000  1.0 3.0
   54    51    58    59  -0.11250  1.0 3.0
   54    51    58    60  -0.11250  1.0 3.0
   54    51    58    61  -0.11250  1.0 3.0
   54    62    66    67  -0.11250  1.0 3.0
   54    62    66    69  -0.98800  1.0 1.0
   54    62    66    69   0.48800 -1.0 2.0
   54    62    66    69   0.76800  1.0 3.0
   54    62    66    45  -0.95700  1.0 1.0
   54    62    66    45  -0.18200 -1.0 2.0
   54    62    66    45   0.29450  1.0 3.0
   54    62    83    78  -1.80650  1.0 1.0
   54    62    83    78   0.63900 -1.0 2.0
   54    62    83    78   0.03650  1.0 3.0
   55    54    62    63   0.00000  1.0 1.0
   55    54    62    66   0.30150 -1.0 2.0
   55    54    62    83   0.30150 -1.0 2.0
   62    66   -69    78   0.09700  1.0 1.0
   62    66   -69    78   0.15600 -1.0 2.0
   62    66   -69    78  -0.50800  1.0 3.0
   62    66    69    80   0.09850  1.0 1.0
   62    66    69    80   0.15250 -1.0 2.0
   62    66    69    80  -0.50650  1.0 3.0
   62    66    45    42   0.56750  1.0 1.0
   62    66    45    42  -0.07550 -1.0 2.0
   62    66    45    42   0.20000  1.0 3.0
   62    66    45    46   0.15000  1.0 3.0
   62    66    45    53   0.62750  1.0 1.0
   62    66    45    53  -0.30950 -1.0 2.0
   62    66    45    53   0.27300  1.0 3.0
   63    62    66    67   0.15000  1.0 3.0
   63    62    66    69   0.15000  1.0 3.0
   63    62    66    45   0.15000  1.0 3.0
   63    62    83    78   0.08050  1.0 3.0
   66    62   -83    78  -0.25900  1.0 1.0
   66    62   -83    78  -0.47000 -1.0 2.0
   66    62   -83    78   0.11750  1.0 3.0
   66    69    78    79  -0.64400  1.0 1.0
   66    69    78    79   0.26850 -1.0 2.0
   66    69   -78    83  -0.15000  1.0 1.0
   66    69   -78    83   0.89550 -1.0 2.0
   66    69   -78    83  -0.06900  1.0 3.0
   66    69    80    81   7.00000 -1.0 2.0
   66    69    80    82   7.00000 -1.0 2.0
   66    45    53    56  -0.25900  1.0 1.0
   66    45    53    56  -0.47000 -1.0 2.0
   66    45    53    56   0.11750  1.0 3.0
   67    66    69    78   0.15000  1.0 3.0
   67    66    69    80   0.00000  1.0 1.0
   67    66    45    42   0.15000  1.0 3.0
   67    66    45    46   0.15000  1.0 3.0
   67    66    45    53   0.23400  1.0 3.0
   69    66    45    42   0.34400  1.0 1.0
   69    66    45    42   0.09450 -1.0 2.0
   69    66    45    42   0.11100  1.0 3.0
   69    66    45    46   0.15000  1.0 3.0
   69    66    45    53   0.61850  1.0 1.0
   69    66    45    53  -0.22750 -1.0 2.0
   69    66    45    53   0.15300  1.0 3.0
   69    78   -83    62   2.00000 -1.0 2.0
   78    69    80    81   7.00000 -1.0 2.0
   78    69    80    82   7.00000 -1.0 2.0
   79    78    83    62   3.00000 -1.0 2.0
   83    62    66    67   0.23400  1.0 3.0
   83    62   -66    69   0.61850  1.0 1.0
   83    62   -66    69  -0.22750 -1.0 2.0
   83    62   -66    69   0.15300  1.0 3.0
   83    62    66    45   0.62750  1.0 1.0
   83    62    66    45  -0.30950 -1.0 2.0
   83    62    66    45   0.27300  1.0 3.0
   80    69    78    79   1.00000 -1.0 2.0
   80    69    78    83  -0.56150  1.0 1.0
   80    69    78    83   2.19150 -1.0 2.0
   45    42    43    33   0.56750  1.0 1.0
   45    42    43    33  -0.07550 -1.0 2.0
   45    42    43    33   0.20000  1.0 3.0
   45    42    43    44   0.15000  1.0 3.0
   45    42    43    51   0.56750  1.0 1.0
   45    42    43    51  -0.07550 -1.0 2.0
   45    42    43    51   0.20000  1.0 3.0
   45    42    47    48   0.15000  1.0 3.0
   45    42    47    49   0.15000  1.0 3.0
   45    42    47    50   0.15000  1.0 3.0
   45    66    69    78   0.09700  1.0 1.0
   45    66    69    78   0.15600 -1.0 2.0
   45    66    69    78  -0.50800  1.0 3.0
   45    66    69    80   0.09850  1.0 1.0
   45    66    69    80   0.15250 -1.0 2.0
   45    66    69    80  -0.50650  1.0 3.0
   45    53    56    57   3.00000 -1.0 2.0
   45    53    56    64   2.00000 -1.0 2.0
   46    45    53    56   0.08050  1.0 3.0
   53    56    64    65   1.63100 -1.0 2.0
   53    56    64    68  -0.56150  1.0 1.0
   53    56    64    68   2.19150 -1.0 2.0
   56    64    68    70   7.00000 -1.0 2.0
   56    64    68    74   7.00000 -1.0 2.0
   57    56    64    65   0.00000  1.0 1.0
   57    56    64    68   1.00000 -1.0 2.0
   64    68    70    71   0.00000  1.0 1.0
   64    68    70    72   0.00000  1.0 1.0
   64    68    70    73   0.00000  1.0 1.0
   64    68    74    75   0.00000  1.0 1.0
   64    68    74    76   0.00000  1.0 1.0
   64    68    74    77   0.00000  1.0 1.0
   65    64    68    70   7.00000 -1.0 2.0
   65    64    68    74   7.00000 -1.0 2.0
   70    68    74    75   0.34800  1.0 3.0
   70    68    74    76   0.34800  1.0 3.0
   70    68    74    77   0.34800  1.0 3.0
   74    68    70    71   0.34800  1.0 3.0
   74    68    70    72   0.34800  1.0 3.0
   74    68    70    73   0.34800  1.0 3.0
   58    51    54    55   0.30150 -1.0 2.0
   58    51    54    62   0.60050  1.0 1.0
   58    51    54    62   0.05600 -1.0 2.0
   58    51    54    62   0.26150  1.0 3.0
   47    42    43    33   0.56750  1.0 1.0
   47    42    43    33  -0.07550 -1.0 2.0
   47    42    43    33   0.20000  1.0 3.0
   47    42    43    44   0.15000  1.0 3.0
   47    42    43    51   0.56750  1.0 1.0
   47    42    43    51  -0.07550 -1.0 2.0
   47    42    43    51   0.20000  1.0 3.0
   47    42    45    66   0.56750  1.0 1.0
   47    42    45    66  -0.07550 -1.0 2.0
   47    42    45    66   0.20000  1.0 3.0
   47    42    45    46   0.15000  1.0 3.0
   47    42    45    53   0.62750  1.0 1.0
   47    42    45    53  -0.30950 -1.0 2.0
   47    42    45    53   0.27300  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   42    41    40    38   1.10000 -1.0 2.0
   51    62    54    55  10.50000 -1.0 2.0
   66    78    69    80   1.10000 -1.0 2.0
   69    83    78    79  10.50000 -1.0 2.0
   81    82    80    69   1.10000 -1.0 2.0
   53    64    56    57  10.50000 -1.0 2.0
   56    65    64    68  15.00000 -1.0 2.0
   70    74    68    64  15.00000 -1.0 2.0
END
