* LIGAND DATABASE FILE (OPLS2005)
*
001      78    80    150    233     435
    1     0 S   NP   _N1_     1    28.85177    95.20550   -25.78947
    2     1 S   H    _HN1     2     1.02791   118.82490   -94.68752
    3     1 S   H    _H1_     3     1.02948    75.82119     8.73140
    4     1 S   H    _H2_     4     1.02827    31.26633  -171.35039
    5     1 S   CT   _CA1     5     1.50117   123.30186   114.06316
    6     5 S   HC   _HA1     6     1.09572   105.18384    91.61679
    7     5 S   CO3  _C1_     7     1.53772   112.46334   -28.64139
    8     7 S   O2Z  _O11     8     1.26376   115.00725   -42.51774
    9     7 S   O2Z  _O12     9     1.26230   114.93695   136.56018
   10     5 S   CT   _CB1    10     1.53059   107.41662  -150.37494
   11    10 S   HC   HB11    11     1.09839   109.37167   -49.25949
   12    10 S   HC   HB12    12     1.09812   110.44992    67.33931
   13    10 S   CT   _CG1    13     1.53015   112.63721  -170.19538
   14    13 S   HC   HG11    14     1.09575   110.72567   -66.33874
   15    13 S   HC   HG12    15     1.09667   109.73020    52.92503
   16    13 S   C    _CD1    16     1.51799   112.03023   173.42538
   17    16 S   O    _OE1    17     1.22746   123.19833    10.67739
   18    16 S   N    _N2_    18     1.38640   111.79436  -169.41530
   19    18 S   H    _HN2    19     1.01570   118.96314     1.85055
   20    18 S   CT1  _CA2    20     1.46258   123.36815   177.32204
   21    20 S   HC   _HA2    21     1.09730   109.35307     6.63010
   22    20 S   C    _C2_    22     1.53619   108.65582  -108.96255
   23    22 S   O    _O2_    23     1.23070   122.29056  -147.24799
   24    20 S   CT   _CB2    32     1.53253   111.51758   128.66324
   25    24 S   HC   HB21    33     1.09544   109.97763    57.24015
   26    24 S   HC   HB22    34     1.09527   110.29627   176.10479
   27    22 S   N    _N3_    24     1.38333   113.78635    40.12139
   28    27 S   H    _HN3    25     1.01554   119.60662    -2.92382
   29    24 S   S    _SG2    35     1.82809   111.55860   -64.26499
   30    27 S   CT   _CA3    26     1.45283   123.26338   177.32753
   31    30 S   HC   HA31    27     1.09547   107.48919   -65.43590
   32    30 S   HC   HA32    28     1.09556   108.02273    51.02350
   33    29 S   CT   _C10    36     1.86123    99.13901   173.06590
   34    33 S   HC   _H3_    37     1.09758   104.59489    35.05729
   35    30 S   CO3  _C3_    29     1.52974   114.04897   173.04819
   36    35 S   O2Z  _O31    30     1.26381   116.07356    -0.35553
   37    35 S   O2Z  _O32    31     1.26425   114.41686   179.70658
   38    33 S   CM   _C5_    38     1.55016   113.49852   -82.30894
   39    33 S   CT   _C12    52     1.56258   111.51173   153.02578
   40    39 S   OM   _O18    53     1.32832   110.84909   -56.21399
   41    39 S   HC   _H31    54     1.10232   106.07659    73.27383
   42    38 S   CM   _C4_    39     1.34923   123.77175    -3.30020
   43    42 S   HC   _H25    40     1.08323   123.00028    -2.86690
   44    42 S   CO4  _C6_    41     1.47922   124.20168   175.06334
   45    44 S   O    _O19    42     1.22435   121.01070   175.35358
   46    44 S   C3T  _C15    43     1.48164   115.58750    -5.48637
   47    46 S   CT   _C9_    44     1.50429   115.84584    33.26970
   48    47 S   HC   _H27    45     1.09438   111.60437  -173.66482
   49    47 S   HC   _H28    46     1.09841   106.34117    71.17849
   50    46 S   C3T  _C16    70     1.54874   121.23368  -166.12303
   51    38 S   CT   _C14    47     1.54950   114.43475   176.50761
   52    46 S   O3T  _O22    71     1.43599   113.11986  -101.49179
   53    50 S   CO4  _C7_    72     1.48636   119.49047    -0.96469
   54    53 S   O    _O20    73     1.22486   121.17848  -104.69543
   55    53 S   HC   _H26    74     1.10289   116.89106    76.14342
   56    50 S   CT   _C20    75     1.50508   120.43030  -161.86617
   57    56 S   HC   _H42    76     1.09463   112.49252   -52.32007
   58    56 S   HC   _H43    77     1.09543   110.52901  -171.66134
   59    56 S   HC   _H44    78     1.09446   110.10647    69.14084
   60    51 S   CT   _C11    48     1.58045   109.48374    50.32996
   61    60 S   HC   _H30    49     1.10115   106.67299    67.90121
   62    51 S   CT   _C19    66     1.54835   108.03795   -73.50775
   63    62 S   HC   _H39    67     1.09505   111.72475  -174.90803
   64    62 S   HC   _H40    68     1.09191   113.22198    63.81589
   65    62 S   HC   _H41    69     1.09604   111.22552   -55.49041
   66    60 S   CT   _C13    50     1.54965   114.84197   -48.06227
   67    66 S   HC   _H32    51     1.10021   107.98512   171.74027
   68    60 S   CT   _C18    62     1.53908   113.63372  -175.82233
   69    68 S   HC   _H36    63     1.09363   112.29450    61.80055
   70    68 S   HC   _H37    64     1.09365   111.64694   -59.80099
   71    68 S   HC   _H38    65     1.09583   110.34808  -178.22040
   72    66 S   OS   _O23    55     1.45036   108.96033   -68.79634
   73    72 S   CO4  _C8_    56     1.36139   118.73898  -111.48847
   74    73 S   O    _O21    57     1.22309   126.93465     2.34569
   75    73 S   CT   _C17    58     1.49869   109.18872  -178.37418
   76    75 S   HC   _H33    59     1.09292   109.78192   -62.42286
   77    75 S   HC   _H34    60     1.09376   109.38333   178.41810
   78    75 S   HC   _H35    61     1.09299   109.84414    59.45354
  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
  15   7   2   1   1  20  11   5   4  10   4  10   4  15  15   6
   5   9  14   7   6   2   1   3   2   1   1  13   8   5   2   1
   1   9   3   4   2   1   1   6   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    51    66    39    40    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    44    47    51    60    66    67    39    40    41    72    62  
   38    42    51    66    39    40    41  
   36    37  
   37  
    0  
   42    43    44    45    46    47    48    49    51    60    61    66    39    40    41    68    62    63    64    65  
   40    41    72    73    68    42    51    60    61    66    67  
   41    72    60    66    67  
   72    60    66    67  
   43    44    45    46    47    51    60    62    50    52  
   44    45    46    51  
   45    46    47    48    49    51    50    52    53    56  
   46    47    50    52  
   47    48    49    51    60    62    50    52    53    54    55    56    57    58    59  
   48    49    51    60    61    66    68    62    63    64    65    50    52    53    56  
   49    51    60    62    50    52  
   51    60    62    50    52  
   52    53    54    55    56    57    58    59    51  
   60    61    66    67    72    68    69    70    71    62    63    64    65    52  
   53    54    55    56    57    58    59  
   54    55    56    57    58    59  
   55    56  
   56  
   57    58    59  
   58    59  
   59  
    0  
   61    66    67    72    73    68    69    70    71    62    63    64    65  
   66    67    72    68    69    70    71    62  
   63    64    65    66    68  
   64    65  
   65  
    0  
   67    72    73    74    75    68    69    70    71  
   72    73    68  
   69    70    71    72  
   70    71  
   71  
    0  
   73    74    75    76    77    78  
   74    75    76    77    78  
   75    76    77    78  
   76    77    78  
   77    78  
   78  
    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   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   51   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   53   3.7500   0.1050   0.367200   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   55   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   317.000  1.510
   33    39   268.000  1.529
   38    42   549.000  1.340
   38    51   317.000  1.510
   42    43   340.000  1.080
   42    44   320.000  1.462
   44    45   570.000  1.229
   44    46   290.000  1.496
   46    47   275.000  1.510
   46    50   260.000  1.509
   46    52   335.000  1.432
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    51   268.000  1.529
   51    60   268.000  1.529
   51    62   268.000  1.529
   60    61   340.000  1.090
   60    66   268.000  1.529
   60    68   268.000  1.529
   66    67   340.000  1.090
   66    39   268.000  1.529
   66    72   320.000  1.410
   39    40   570.000  1.307
   39    41   340.000  1.090
   72    73   214.000  1.327
   73    74   570.000  1.229
   73    75   317.000  1.522
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   50    52   335.000  1.432
   50    53   290.000  1.496
   50    56   275.000  1.510
   53    54   570.000  1.229
   53    55   340.000  1.090
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   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    39    75.00000  111.63000
   33    38    42    70.00000  124.00000
   33    38    51    65.00000  117.92700
   33    39    66    58.35000  112.70000
   33    39    40    50.00000  109.50000
   33    39    41    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    44    65.00000  118.96000
   38    51    47    70.00000  112.02700
   38    51    60    70.00000  112.02700
   38    51    62    70.00000  112.02700
   42    44    45    80.00000  123.72100
   42    44    46    65.00000  118.62400
   44    42    43    40.00000  117.72500
   44    46    47    63.00000  111.10000
   44    46    50    65.00000  117.18000
   44    46    52    80.00000  114.91000
   46    44    45    75.00000  121.36600
   46    47    48    45.00000  109.38400
   46    47    49    45.00000  109.38400
   46    47    51    70.00000  112.37300
   46    50    52    15.00000   60.43100
   46    50    53    65.00000  117.18000
   46    50    56    60.00000  120.94000
   46    52    50    15.00000   59.14900
   47    51    60    58.35000  112.70000
   47    51    62    58.35000  112.70000
   49    47    48    33.00000  107.80000
   51    38    42    70.00000  124.00000
   51    47    48    37.50000  110.70000
   51    47    49    37.50000  110.70000
   51    60    61    37.50000  110.70000
   51    60    66    58.35000  112.70000
   51    60    68    58.35000  112.70000
   51    62    63    37.50000  110.70000
   51    62    64    37.50000  110.70000
   51    62    65    37.50000  110.70000
   60    66    67    37.50000  110.70000
   60    66    39    58.35000  112.70000
   60    66    72    50.00000  109.50000
   60    68    69    37.50000  110.70000
   60    68    70    37.50000  110.70000
   60    68    71    37.50000  110.70000
   66    60    61    37.50000  110.70000
   66    39    40    50.00000  109.50000
   66    39    41    37.50000  110.70000
   66    72    73    83.00000  116.90000
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   39    66    67    37.50000  110.70000
   41    39    40    45.00000  125.66300
   72    66    67    35.00000  109.50000
   72    66    39    50.00000  109.50000
   72    73    74    83.00000  123.40000
   72    73    75    81.00000  111.40000
   73    75    76    35.00000  109.50000
   73    75    77    35.00000  109.50000
   73    75    78    35.00000  109.50000
   75    73    74    80.00000  120.40000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   68    60    61    37.50000  110.70000
   68    60    66    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   62    51    60    58.35000  112.70000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   50    46    47    60.00000  120.94000
   50    53    54    75.00000  121.36600
   50    53    55    40.00000  115.82000
   50    56    57    45.00000  109.38400
   50    56    58    45.00000  109.38400
   50    56    59    45.00000  109.38400
   52    46    47    80.00000  116.47100
   52    46    50    15.00000   60.43100
   53    50    52    80.00000  114.91000
   55    53    54    35.00000  123.00000
   56    50    52    80.00000  116.47100
   56    50    53    63.00000  111.10000
   58    56    57    33.00000  107.80000
   59    56    57    33.00000  107.80000
   59    56    58    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    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    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    38    51   0.30250  1.0 1.0
   29    33    38    51  -0.14950 -1.0 2.0
   29    33    38    51   0.36900  1.0 3.0
   29    33    39    66   0.44750  1.0 1.0
   29    33    39    66  -0.17800 -1.0 2.0
   29    33    39    66   0.20200  1.0 3.0
   29    33    39    40   0.56750  1.0 1.0
   29    33    39    40  -0.07550 -1.0 2.0
   29    33    39    40   0.20000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    44   7.00000 -1.0 2.0
   33    38    51    47   0.46850  1.0 1.0
   33    38    51    47   0.08550 -1.0 2.0
   33    38    51    47   0.09800  1.0 3.0
   33    38    51    60   0.46850  1.0 1.0
   33    38    51    60   0.08550 -1.0 2.0
   33    38    51    60   0.09800  1.0 3.0
   33    38    51    62   0.46850  1.0 1.0
   33    38    51    62   0.08550 -1.0 2.0
   33    38    51    62   0.09800  1.0 3.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    51   0.34800  1.0 3.0
   34    33    39    66   0.15000  1.0 3.0
   34    33    39    40   0.23400  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   38    33    39    66   0.34400  1.0 1.0
   38    33    39    66   0.09450 -1.0 2.0
   38    33    39    66   0.11100  1.0 3.0
   38    33    39    40   0.61850  1.0 1.0
   38    33    39    40  -0.22750 -1.0 2.0
   38    33    39    40   0.15300  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    42    44    45   1.00000 -1.0 2.0
   38    42    44    46  -0.33500  1.0 1.0
   38    42    44    46   1.06600 -1.0 2.0
   38    42    44    46  -0.14000  1.0 3.0
   38    51    60    61   0.15000  1.0 3.0
   38    51   -60    66   0.34400  1.0 1.0
   38    51   -60    66   0.09450 -1.0 2.0
   38    51   -60    66   0.11100  1.0 3.0
   38    51    60    68   0.34400  1.0 1.0
   38    51    60    68   0.09450 -1.0 2.0
   38    51    60    68   0.11100  1.0 3.0
   38    51    62    63   0.15000  1.0 3.0
   38    51    62    64   0.15000  1.0 3.0
   38    51    62    65   0.15000  1.0 3.0
   42    38    51    47   0.09850  1.0 1.0
   42    38    51    47   0.15250 -1.0 2.0
   42    38    51    47  -0.50650  1.0 3.0
   42    38    51    60   0.09850  1.0 1.0
   42    38    51    60   0.15250 -1.0 2.0
   42    38    51    60  -0.50650  1.0 3.0
   42    38    51    62   0.09850  1.0 1.0
   42    38    51    62   0.15250 -1.0 2.0
   42    38    51    62  -0.50650  1.0 3.0
   42    44   -46    47   0.65300  1.0 1.0
   42    44   -46    47  -0.03850 -1.0 2.0
   42    44   -46    47   0.33900  1.0 3.0
   42    44    46    50   0.65300  1.0 1.0
   42    44    46    50  -0.03850 -1.0 2.0
   42    44    46    50   0.33900  1.0 3.0
   42    44    46    52   0.65300  1.0 1.0
   42    44    46    52  -0.03850 -1.0 2.0
   42    44    46    52   0.33900  1.0 3.0
   43    42    44    45   0.00000  1.0 1.0
   43    42    44    46   0.04550  1.0 1.0
   43    42    44    46   0.83000 -1.0 2.0
   43    42    44    46  -0.04000  1.0 3.0
   44    46    47    48  -0.11250  1.0 3.0
   44    46    47    49  -0.11250  1.0 3.0
   44    46    47    51  -0.95700  1.0 1.0
   44    46    47    51  -0.18200 -1.0 2.0
   44    46    47    51   0.29450  1.0 3.0
   44    46   -50    52  -0.09450  1.0 1.0
   44    46   -50    52  -1.12950 -1.0 2.0
   44    46   -50    52   0.54000  1.0 3.0
   44    46    50    53   0.11950  1.0 1.0
   44    46    50    53   0.20300 -1.0 2.0
   44    46    50    53  -0.70800  1.0 3.0
   44    46    50    56  -0.95700  1.0 1.0
   44    46    50    56  -0.18200 -1.0 2.0
   44    46    50    56   0.29450  1.0 3.0
   44    46   -52    50  -1.11000  1.0 1.0
   44    46   -52    50   0.50250 -1.0 2.0
   44    46   -52    50   0.47450  1.0 3.0
   45    44    46    47   0.30150 -1.0 2.0
   45    44    46    50   0.30150 -1.0 2.0
   45    44    46    52   0.30150 -1.0 2.0
   46    47   -51    38   0.34400  1.0 1.0
   46    47   -51    38   0.09450 -1.0 2.0
   46    47   -51    38   0.11100  1.0 3.0
   46    47    51    60   0.47050  1.0 1.0
   46    47    51    60   0.03900 -1.0 2.0
   46    47    51    60   0.20100  1.0 3.0
   46    47    51    62   0.47050  1.0 1.0
   46    47    51    62   0.03900 -1.0 2.0
   46    47    51    62   0.20100  1.0 3.0
   46    50    53    54   0.30150 -1.0 2.0
   46    50    53    55   0.74550  1.0 1.0
   46    50    53    55  -0.00500 -1.0 2.0
   46    50    56    57   0.15000  1.0 3.0
   46    50    56    58   0.15000  1.0 3.0
   46    50    56    59   0.15000  1.0 3.0
   47    46   -50    52   0.02550  1.0 1.0
   47    46   -50    52  -0.02600 -1.0 2.0
   47    46   -50    52   1.20400  1.0 3.0
   47    46    50    53  -0.95700  1.0 1.0
   47    46    50    53  -0.18200 -1.0 2.0
   47    46    50    53   0.29450  1.0 3.0
   47    46    50    56   0.56750  1.0 1.0
   47    46    50    56  -0.07550 -1.0 2.0
   47    46    50    56   0.20000  1.0 3.0
   47    46   -52    50   0.06250  1.0 1.0
   47    46   -52    50  -0.01100 -1.0 2.0
   47    46   -52    50   0.28050  1.0 3.0
   47    51    60    61   0.15000  1.0 3.0
   47    51    60    66   0.56750  1.0 1.0
   47    51    60    66  -0.07550 -1.0 2.0
   47    51    60    66   0.20000  1.0 3.0
   47    51    60    68   0.56750  1.0 1.0
   47    51    60    68  -0.07550 -1.0 2.0
   47    51    60    68   0.20000  1.0 3.0
   47    51    62    63   0.15000  1.0 3.0
   47    51    62    64   0.15000  1.0 3.0
   47    51    62    65   0.15000  1.0 3.0
   48    47    51    38   0.15000  1.0 3.0
   48    47    51    60   0.15000  1.0 3.0
   48    47    51    62   0.15000  1.0 3.0
   49    47    51    38   0.15000  1.0 3.0
   49    47    51    60   0.15000  1.0 3.0
   49    47    51    62   0.15000  1.0 3.0
   51    38    42    43   7.00000 -1.0 2.0
   51    38   -42    44   7.00000 -1.0 2.0
   51    60    66    67   0.15000  1.0 3.0
   51    60    66    39   0.56750  1.0 1.0
   51    60    66    39  -0.07550 -1.0 2.0
   51    60    66    39   0.20000  1.0 3.0
   51    60    66    72   0.62750  1.0 1.0
   51    60    66    72  -0.30950 -1.0 2.0
   51    60    66    72   0.27300  1.0 3.0
   51    60    68    69   0.15000  1.0 3.0
   51    60    68    70   0.15000  1.0 3.0
   51    60    68    71   0.15000  1.0 3.0
   60    51    62    63   0.15000  1.0 3.0
   60    51    62    64   0.15000  1.0 3.0
   60    51    62    65   0.15000  1.0 3.0
   60    66   -39    33   0.56750  1.0 1.0
   60    66   -39    33  -0.07550 -1.0 2.0
   60    66   -39    33   0.20000  1.0 3.0
   60    66    39    40   0.62750  1.0 1.0
   60    66    39    40  -0.30950 -1.0 2.0
   60    66    39    40   0.27300  1.0 3.0
   60    66    39    41   0.15000  1.0 3.0
   60    66    72    73  -0.25900  1.0 1.0
   60    66    72    73  -0.47000 -1.0 2.0
   60    66    72    73   0.11750  1.0 3.0
   61    60    66    67   0.15000  1.0 3.0
   61    60    66    39   0.15000  1.0 3.0
   61    60    66    72   0.23400  1.0 3.0
   61    60    68    69   0.15000  1.0 3.0
   61    60    68    70   0.15000  1.0 3.0
   61    60    68    71   0.15000  1.0 3.0
   66    60    68    69   0.15000  1.0 3.0
   66    60    68    70   0.15000  1.0 3.0
   66    60    68    71   0.15000  1.0 3.0
   66    72    73    74   3.00000 -1.0 2.0
   66    72    73    75   1.63150  1.0 1.0
   66    72    73    75   2.92000 -1.0 2.0
   67    66    39    33   0.15000  1.0 3.0
   67    66    39    40   0.23400  1.0 3.0
   67    66    39    41   0.15000  1.0 3.0
   67    66    72    73   0.08050  1.0 3.0
   39    33    38    42   0.09850  1.0 1.0
   39    33    38    42   0.15250 -1.0 2.0
   39    33    38    42  -0.50650  1.0 3.0
   39    33   -38    51   0.46850  1.0 1.0
   39    33   -38    51   0.08550 -1.0 2.0
   39    33   -38    51   0.09800  1.0 3.0
   39    66    72    73  -0.25900  1.0 1.0
   39    66    72    73  -0.47000 -1.0 2.0
   39    66    72    73   0.11750  1.0 3.0
   72    66    39    33   0.62750  1.0 1.0
   72    66    39    33  -0.30950 -1.0 2.0
   72    66    39    33   0.27300  1.0 3.0
   72    66    39    40   1.11900  1.0 1.0
   72    66    39    40  -1.16350 -1.0 2.0
   72    66    39    40  -0.34150  1.0 3.0
   72    66    39    41   0.23400  1.0 3.0
   72    73    75    76   0.00000  1.0 1.0
   72    73    75    77   0.00000  1.0 1.0
   72    73    75    78   0.00000  1.0 1.0
   74    73    75    76   0.00000  1.0 1.0
   74    73    75    77   0.00000  1.0 1.0
   74    73    75    78   0.00000  1.0 1.0
   68    60    66    67   0.15000  1.0 3.0
   68    60    66    39   0.56750  1.0 1.0
   68    60    66    39  -0.07550 -1.0 2.0
   68    60    66    39   0.20000  1.0 3.0
   68    60    66    72   0.62750  1.0 1.0
   68    60    66    72  -0.30950 -1.0 2.0
   68    60    66    72   0.27300  1.0 3.0
   62    51    60    61   0.15000  1.0 3.0
   62    51    60    66   0.56750  1.0 1.0
   62    51    60    66  -0.07550 -1.0 2.0
   62    51    60    66   0.20000  1.0 3.0
   62    51    60    68   0.56750  1.0 1.0
   62    51    60    68  -0.07550 -1.0 2.0
   62    51    60    68   0.20000  1.0 3.0
   50    46    47    48   0.15000  1.0 3.0
   50    46    47    49   0.15000  1.0 3.0
   50    46    47    51   0.07850  1.0 1.0
   50    46    47    51  -0.03950 -1.0 2.0
   50    46    47    51   0.67350  1.0 3.0
   52    46    47    48   0.23400  1.0 3.0
   52    46    47    49   0.23400  1.0 3.0
   52    46    47    51   0.02550  1.0 1.0
   52    46    47    51  -0.02600 -1.0 2.0
   52    46    47    51   1.20400  1.0 3.0
   52    46   -50    53  -0.09450  1.0 1.0
   52    46   -50    53  -1.12950 -1.0 2.0
   52    46   -50    53   0.54000  1.0 3.0
   52    46   -50    56   0.02550  1.0 1.0
   52    46   -50    56  -0.02600 -1.0 2.0
   52    46   -50    56   1.20400  1.0 3.0
   52    50    53    54   0.30150 -1.0 2.0
   52    50    53    55   0.00000  1.0 1.0
   52    50    56    57   0.23400  1.0 3.0
   52    50    56    58   0.23400  1.0 3.0
   52    50    56    59   0.23400  1.0 3.0
   53    50   -52    46  -1.11000  1.0 1.0
   53    50   -52    46   0.50250 -1.0 2.0
   53    50   -52    46   0.47450  1.0 3.0
   53    50    56    57  -0.11250  1.0 3.0
   53    50    56    58  -0.11250  1.0 3.0
   53    50    56    59  -0.11250  1.0 3.0
   56    50   -52    46   0.06250  1.0 1.0
   56    50   -52    46  -0.01100 -1.0 2.0
   56    50   -52    46   0.28050  1.0 3.0
   56    50    53    54   0.30150 -1.0 2.0
   56    50    53    55   0.74550  1.0 1.0
   56    50    53    55  -0.00500 -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    51    38    42   1.10000 -1.0 2.0
   44    43    42    38   1.10000 -1.0 2.0
   42    46    44    45  10.50000 -1.0 2.0
   72    75    73    74  10.50000 -1.0 2.0
   50    55    53    54  10.50000 -1.0 2.0
END
