* LIGAND DATABASE FILE (OPLS2005)
*
001      77    79    143    225     413
    1     0 S   NP   _N1_     1    31.32988    99.78006   -20.69754
    2     1 S   H    _HN1     2     1.02838    70.11601   126.35870
    3     1 S   H    _H1_     3     1.03469   168.54033  -152.45526
    4     1 S   H    _H2_     4     1.02724    63.72402  -111.08921
    5     1 S   CT   _CA1     5     1.50638    78.80532     9.92805
    6     5 S   HC   _HA1     6     1.09554   104.25146   123.78515
    7     5 S   CO3  _C1_     7     1.54387   111.92755     8.02113
    8     7 S   O2Z  _O11     8     1.26102   116.63543  -137.78561
    9     7 S   O2Z  _O12     9     1.26635   114.14613    41.83231
   10     5 S   CT   _CB1    10     1.53108   106.72515  -119.73174
   11    10 S   HC   HB11    11     1.09570   109.50006   -35.93309
   12    10 S   HC   HB12    12     1.09800   110.18921    79.47023
   13    10 S   CT   _CG1    13     1.53318   113.16087  -158.43440
   14    13 S   HC   HG11    14     1.09530   110.95062   -95.35038
   15    13 S   HC   HG12    15     1.09596   111.75382    24.14145
   16    13 S   C    _CD1    16     1.51517   109.65334   144.58065
   17    16 S   O    _OE1    17     1.22815   122.08035    97.43037
   18    16 S   N    _N2_    18     1.38423   112.45789   -79.81952
   19    18 S   H    _HN2    19     1.02071   119.10717    -5.31198
   20    18 S   CT1  _CA2    20     1.45848   123.22742   173.34946
   21    20 S   HC   _HA2    21     1.09669   108.61799    31.98703
   22    20 S   C    _C2_    22     1.53216   108.53694   -84.89515
   23    22 S   O    _O2_    23     1.23119   121.15756   150.81959
   24    20 S   CT   _CB2    32     1.53324   112.19985   155.47428
   25    24 S   HC   HB21    33     1.09380   109.97246    64.37315
   26    24 S   HC   HB22    34     1.09553   109.60015  -178.19138
   27    22 S   N    _N3_    24     1.38441   114.31504   -36.89876
   28    27 S   H    _HN3    25     1.01672   119.23930     2.44104
   29    24 S   S    _SG2    35     1.82876   111.40297   -58.45505
   30    27 S   CT   _CA3    26     1.45246   123.20356  -177.15311
   31    30 S   HC   HA31    27     1.09561   108.17434   -46.81288
   32    30 S   HC   HA32    28     1.09557   107.19443    69.46502
   33    29 S   CT   _C5_    36     1.86244   101.43585   151.11588
   34    30 S   CO3  _C3_    29     1.53019   114.55692  -168.94750
   35    34 S   O2Z  _O31    30     1.26387   116.42331     6.10467
   36    34 S   O2Z  _O32    31     1.26467   114.33607  -174.23068
   37    33 S   CM   _C10    37     1.54176   111.09357   -59.76835
   38    33 S   CT   _C4_    74     1.54791   105.42226  -178.22778
   39    38 S   HC   _H6_    75     1.09727   111.65728   -66.27149
   40    38 S   HC   _H7_    76     1.09658   111.33913   174.18631
   41    38 S   HC   _H8_    77     1.09550   112.82783    53.88729
   42    37 S   N4   _N4_    38     1.36419   118.54288   142.53606
   43    37 S   CMA  _C11    71     1.53204   121.72511   -47.23532
   44    43 S   OM   _O34    72     1.26413   119.92600   111.06282
   45    43 S   OM   _O35    73     1.26222   121.55092   -70.37821
   46    42 S   C4   _C9_    39     1.35314   137.10291   160.64406
   47    46 S   O    _O33    40     1.20882   134.58562     2.47180
   48    42 S   C4T  _C7_    43     1.44894   125.88642   -25.41120
   49    48 S   HC   _H3_    44     1.09775   112.10790   -74.38570
   50    46 S   C4T  _C8_    41     1.56223    89.63452  -173.51272
   51    50 S   HC   _H4_    42     1.09568   113.54954  -123.82622
   52    48 S   S    _S1_    45     1.80880   110.39622    53.48199
   53    33 S   CT   _C6_    46     1.55682   106.83177    67.25286
   54    53 S   HC   _H9_    47     1.09526   111.93160   -51.04069
   55    53 S   HC   _H10    48     1.09631   111.32518    68.28512
   56    50 S   N    _N5_    49     1.47900   113.66406   106.65066
   57    56 S   H    _H11    50     1.01726   118.78014   -90.94667
   58    56 S   C    _C12    51     1.38900   122.71582    85.57712
   59    58 S   O    _O36    52     1.22962   123.95574     2.38212
   60    58 S   CT1  _C13    53     1.53157   112.48375  -176.74298
   61    60 S   HC   _H5_    54     1.09739   108.45852   -33.07566
   62    60 S   CM   _C14    55     1.51511   108.31310    87.20946
   63    60 S   NT   _N6_    68     1.46364   108.77018  -149.40177
   64    63 S   H    _H19    69     1.01931   109.27545   173.50713
   65    63 S   H    _H20    70     1.01940   109.55296    57.71179
   66    62 S   CM   _C15    56     1.34793   120.55127  -108.26775
   67    66 S   HC   _H12    57     1.08719   119.92269    -0.32865
   68    66 S   CT   _C16    58     1.50130   124.16609   179.11840
   69    68 S   HC   _H13    59     1.09592   108.74843  -121.60025
   70    68 S   HC   _H14    60     1.09584   108.79770   121.62504
   71    68 S   CM   _C17    61     1.49757   113.93637    -0.02798
   72    71 S   HC   _H15    62     1.08607   117.65003  -179.72589
   73    71 S   CM   _C18    63     1.33953   122.90863     0.11014
   74    73 S   HC   _H16    64     1.08628   119.31067  -179.84934
   75    62 S   CT   _C19    65     1.51684   118.19887    71.06874
   76    75 S   HC   _H17    66     1.09604   109.51126    59.94674
   77    75 S   HC   _H18    67     1.09585   109.45559   -57.87832
  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  12   5   4   3
  15   2   1   1  17   9   3   2   1  12   5   1   1   9   4  10
   5   8   4   4   2   1   1   7   3   9   4  12   6  14   4   1
   1  10   5   7   4   3   6   3   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    53    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    42    52    53    54    55    43    38    39    40    41  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    42    46    48    52    53    54    55    43    44    45    38    39    40    41  
   35    36  
   36  
    0  
   42    46    47    50    48    49    52    53    54    55    43    44    45    38    39    40    41  
   39    40    41    42    43    52    53    54    55  
   40    41    53  
   41    53  
   53  
   46    47    50    51    48    49    52    53    56    43    44    45  
   44    45    46    48    53  
   45  
    0  
   47    50    51    48    49    52    56    57    58  
   50    51    48    56  
   49    52    53    54    55    56    57    58    50    51  
   52    53    56    50    51  
   51    52    53    56    57    58    59    60  
   52    56    57    58  
   53    54    55    56  
   54    55  
   55  
    0  
   57    58    59    60    61    62    63  
   58    59    60  
   59    60    61    62    66    75    63    64    65  
   60    61    62    63  
   61    62    66    67    68    73    75    76    77    63    64    65  
   62    66    75    63    64    65  
   66    67    68    69    70    71    73    74    75    76    77    63    64    65  
   64    65    66    75  
   65  
    0  
   67    68    69    70    71    72    73    75    76    77  
   68    69    70    71    75  
   69    70    71    72    73    74    75  
   70    71    72    73  
   71    72    73  
   72    73    74    75    76    77  
   73    74    75  
   74    75    76    77  
   75    76    77  
   76    77  
   77  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.549900   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.2500   0.1700  -0.296300   1.8100   1.6000   0.054801302  -1.445846770
   43   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   45   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   46   3.7500   0.1050   0.629000   1.9250   1.7000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   48   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   52   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   53   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.2500   0.1700  -0.500000   2.1120   1.8750   0.051222218  -2.220205820
   57   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   58   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   60   3.5000   0.0660   0.163900   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.3000   0.1700  -0.943900   1.8650   1.6500   0.051222218  -2.220205820
   64   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   65   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   66   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   74   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    53   268.000  1.529
   33    38   268.000  1.529
   37    42   400.000  1.384
   37    43   465.000  1.376
   42    46   440.000  1.369
   42    48   305.000  1.456
   46    47   930.000  1.212
   46    50   250.000  1.540
   50    51   340.000  1.090
   50    48   268.000  1.529
   50    56   337.000  1.449
   48    49   340.000  1.090
   48    52   200.000  1.824
   52    53   222.000  1.810
   53    54   340.000  1.090
   53    55   340.000  1.090
   56    57   434.000  1.010
   56    58   490.000  1.335
   58    59   570.000  1.229
   58    60   317.000  1.522
   60    61   340.000  1.090
   60    62   317.000  1.510
   60    63   305.000  1.457
   62    66   549.000  1.340
   62    75   317.000  1.510
   66    67   340.000  1.080
   66    68   317.000  1.510
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   317.000  1.510
   71    72   340.000  1.080
   71    73   549.000  1.340
   73    74   340.000  1.080
   73    75   317.000  1.510
   75    76   340.000  1.090
   75    77   340.000  1.090
   63    64   434.000  1.010
   63    65   434.000  1.010
   43    44   745.000  1.250
   43    45   745.000  1.250
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    53    75.00000  111.63000
   29    33    38    75.00000  111.63000
   33    37    42    70.00000  113.82800
   33    37    43    70.00000  124.00000
   33    53    52    75.00000  111.63000
   33    53    54    37.50000  110.70000
   33    53    55    37.50000  110.70000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   37    42    46    50.00000  132.10000
   37    42    48    50.00000  132.70000
   37    43    44    65.00000  137.10300
   37    43    45    65.00000  137.10300
   42    46    47    75.00000  131.60000
   42    46    50    95.00000   92.72400
   42    48    50   105.00000   87.49700
   42    48    49    50.00000  112.01000
   42    48    52    80.00000  108.62000
   46    50    51    40.00000  113.37500
   46    50    48   100.00000   86.36000
   46    50    56    75.00000  110.24000
   50    46    47    60.00000  136.58000
   50    48    49    37.50000  110.70000
   50    48    52    65.00000  119.05700
   50    56    57    38.00000  118.40000
   50    56    58    50.00000  121.90000
   48    42    46   100.00000   93.00000
   48    50    51    37.50000  110.70000
   48    52    53    85.00000   99.86700
   52    48    49    45.00000  109.41400
   52    53    54    35.00000  109.50000
   52    53    55    35.00000  109.50000
   53    33    37    70.00000  112.02700
   55    53    54    33.00000  107.80000
   56    50    51    50.00000  112.01000
   56    50    48    80.00000  110.05700
   56    58    59    80.00000  122.90000
   56    58    60    70.00000  116.60000
   58    56    57    35.00000  119.80000
   58    60    61    35.00000  109.50000
   58    60    62    70.00000  115.00700
   58    60    63    75.00000  111.54000
   60    58    59    80.00000  120.40000
   60    62    66    70.00000  124.00000
   60    62    75    65.00000  117.92700
   60    63    64    50.00000  111.55300
   60    63    65    50.00000  111.55300
   62    60    61    35.00000  109.50000
   62    66    67    35.00000  120.00000
   62    66    68    70.00000  124.00000
   62    75    73    70.00000  110.12100
   62    75    76    35.00000  109.50000
   62    75    77    35.00000  109.50000
   66    68    69    35.00000  109.50000
   66    68    70    35.00000  109.50000
   66    68    71    70.00000  110.12100
   68    66    67    35.00000  117.00000
   68    71    72    35.00000  117.00000
   68    71    73    70.00000  124.00000
   70    68    69    33.00000  107.80000
   71    68    69    35.00000  109.50000
   71    68    70    35.00000  109.50000
   71    73    74    35.00000  120.00000
   71    73    75    70.00000  124.00000
   73    71    72    35.00000  120.00000
   73    75    76    35.00000  109.50000
   73    75    77    35.00000  109.50000
   75    62    66    70.00000  124.00000
   75    73    74    35.00000  117.00000
   77    75    76    33.00000  107.80000
   63    60    61    50.00000  109.55000
   63    60    62    75.00000  110.70900
   65    63    64    43.60000  106.40000
   43    37    42    75.00000  120.83300
   45    43    44    65.00000  121.00000
   38    33    37    70.00000  112.02700
   38    33    53    58.35000  112.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    53   0.01700  1.0 1.0
   24    29    33    53  -0.23550 -1.0 2.0
   24    29    33    53   0.21350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    42   0.09700  1.0 1.0
   29    33    37    42   0.15600 -1.0 2.0
   29    33    37    42  -0.50800  1.0 3.0
   29    33    37    43   0.42700  1.0 1.0
   29    33    37    43  -0.70350 -1.0 2.0
   29    33    37    43  -0.43150  1.0 3.0
   29    33    53    52   0.56750  1.0 1.0
   29    33    53    52  -0.07550 -1.0 2.0
   29    33    53    52   0.20000  1.0 3.0
   29    33    53    54   0.15000  1.0 3.0
   29    33    53    55   0.15000  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   33    37    42    46   0.00000  1.0 1.0
   33    37    42    48   0.00000  1.0 1.0
   33    37    43    44   7.00000 -1.0 2.0
   33    37    43    45   7.00000 -1.0 2.0
   37    33    53    52   0.56750  1.0 1.0
   37    33    53    52  -0.07550 -1.0 2.0
   37    33    53    52   0.20000  1.0 3.0
   37    33    53    54   0.15000  1.0 3.0
   37    33    53    55   0.15000  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    40   0.15000  1.0 3.0
   37    33    38    41   0.15000  1.0 3.0
   37    42    46    47   3.00000 -1.0 2.0
   37    42    46    50   3.00000 -1.0 2.0
   37    42   -48    50   0.00000  1.0 1.0
   37    42    48    49   0.00000  1.0 1.0
   37    42   -48    52   0.00000  1.0 1.0
   42    37    43    44   7.00000 -1.0 2.0
   42    37    43    45   7.00000 -1.0 2.0
   42    46    50    51   0.00000  1.0 1.0
   42    46   -50    48   3.00000 -1.0 2.0
   42    46    50    56   0.00000  1.0 1.0
   42    48    52    53   0.01700  1.0 1.0
   42    48    52    53  -0.23550 -1.0 2.0
   42    48    52    53   0.21350  1.0 3.0
   46    42   -48    50   0.00000  1.0 1.0
   46    42    48    49   0.00000  1.0 1.0
   46    42    48    52   0.00000  1.0 1.0
   46    50   -48    42   3.00000 -1.0 2.0
   46    50   -48    49   0.15000  1.0 3.0
   46    50   -48    52   0.00000  1.0 1.0
   46    50    56    57   0.00000  1.0 1.0
   46    50    56    58  -0.42300  1.0 1.0
   46    50    56    58  -0.07000 -1.0 2.0
   46    50    56    58   0.04150  1.0 3.0
   47    46    50    51   0.00000  1.0 1.0
   47    46    50    48  -0.11250  1.0 1.0
   47    46    50    48   0.11400 -1.0 2.0
   47    46    50    48  -0.28950  1.0 3.0
   47    46    50    56   0.30150 -1.0 2.0
   50    48    52    53   0.25150  1.0 1.0
   50    48    52    53  -1.17200 -1.0 2.0
   50    48    52    53   0.53050  1.0 3.0
   50    56    58    59   3.04450 -1.0 2.0
   50    56    58    60   1.15000  1.0 1.0
   50    56    58    60   3.04450 -1.0 2.0
   51    50   -48    42   0.15000  1.0 3.0
   51    50    48    49   0.15000  1.0 3.0
   51    50    48    52   0.00000  1.0 1.0
   51    50    56    57   0.00000  1.0 1.0
   51    50    56    58   0.00000  1.0 1.0
   48    42   -46    47   3.00000 -1.0 2.0
   48    42   -46    50   3.00000 -1.0 2.0
   48    50    56    57   0.00000  1.0 1.0
   48    50    56    58  -0.43950  1.0 1.0
   48    50    56    58  -0.08100 -1.0 2.0
   48    50    56    58   0.03350  1.0 3.0
   48    52   -53    33  -0.25000 -1.0 2.0
   48    52   -53    33  -0.01800  1.0 3.0
   48    52    53    54   0.32350  1.0 3.0
   48    52    53    55   0.32350  1.0 3.0
   49    48    52    53   0.00000  1.0 1.0
   53    33   -37    42  -0.93550  1.0 1.0
   53    33   -37    42   0.38900 -1.0 2.0
   53    33   -37    42   0.16950  1.0 3.0
   53    33    37    43   0.09850  1.0 1.0
   53    33    37    43   0.15250 -1.0 2.0
   53    33    37    43  -0.50650  1.0 3.0
   53    33    38    39   0.15000  1.0 3.0
   53    33    38    40   0.15000  1.0 3.0
   53    33    38    41   0.15000  1.0 3.0
   56    50   -48    42   2.20050  1.0 1.0
   56    50   -48    42   0.63450 -1.0 2.0
   56    50   -48    42  -0.91300  1.0 3.0
   56    50    48    49   0.15000  1.0 3.0
   56    50    48    52   0.00000  1.0 1.0
   56    58    60    61   0.00000  1.0 1.0
   56    58    60    62   0.00000  1.0 1.0
   56    58    60    63   0.00000  1.0 1.0
   57    56    58    59   2.45000 -1.0 2.0
   57    56    58    60   2.45000 -1.0 2.0
   58    60    62    66  -0.51250  1.0 1.0
   58    60    62    66  -0.88800 -1.0 2.0
   58    60    62    66   0.08850  1.0 3.0
   58    60    62    75   0.17250  1.0 1.0
   58    60    62    75  -0.04100 -1.0 2.0
   58    60    62    75  -0.33850  1.0 3.0
   58    60    63    64   0.21900  1.0 1.0
   58    60    63    64  -0.24900 -1.0 2.0
   58    60    63    64   0.15200  1.0 3.0
   58    60    63    65   0.21900  1.0 1.0
   58    60    63    65  -0.24900 -1.0 2.0
   58    60    63    65   0.15200  1.0 3.0
   59    58    60    61   0.00000  1.0 1.0
   59    58    60    62   0.30150 -1.0 2.0
   59    58    60    63   0.30150 -1.0 2.0
   60    62    66    67   7.00000 -1.0 2.0
   60    62    66    68   7.00000 -1.0 2.0
   60    62    75    73   0.09700  1.0 1.0
   60    62    75    73   0.15600 -1.0 2.0
   60    62    75    73  -0.50800  1.0 3.0
   60    62    75    76   0.34800  1.0 3.0
   60    62    75    77   0.34800  1.0 3.0
   61    60    62    66   0.00000  1.0 1.0
   61    60    62    75   0.34800  1.0 3.0
   61    60    63    64   0.20000  1.0 3.0
   61    60    63    65   0.20000  1.0 3.0
   62    60    63    64   0.12450  1.0 1.0
   62    60    63    64  -0.40750 -1.0 2.0
   62    60    63    64   0.30300  1.0 3.0
   62    60    63    65   0.12450  1.0 1.0
   62    60    63    65  -0.40750 -1.0 2.0
   62    60    63    65   0.30300  1.0 3.0
   62    66    68    69   0.00000  1.0 1.0
   62    66    68    70   0.00000  1.0 1.0
   62    66    68    71  -0.28300  1.0 1.0
   62    66    68    71   0.26700 -1.0 2.0
   62    66    68    71  -0.63300  1.0 3.0
   66    62    75    73  -0.28300  1.0 1.0
   66    62    75    73   0.26700 -1.0 2.0
   66    62    75    73  -0.63300  1.0 3.0
   66    62    75    76   0.00000  1.0 1.0
   66    62    75    77   0.00000  1.0 1.0
   66    68    71    72   0.00000  1.0 1.0
   66    68   -71    73  -0.28300  1.0 1.0
   66    68   -71    73   0.26700 -1.0 2.0
   66    68   -71    73  -0.63300  1.0 3.0
   67    66    68    69   0.33100  1.0 3.0
   67    66    68    70   0.33100  1.0 3.0
   67    66    68    71   0.00000  1.0 1.0
   68    71    73    74   7.00000 -1.0 2.0
   68    71    73    75   7.00000 -1.0 2.0
   69    68    71    72   0.33100  1.0 3.0
   69    68    71    73   0.00000  1.0 1.0
   70    68    71    72   0.33100  1.0 3.0
   70    68    71    73   0.00000  1.0 1.0
   71    73   -75    62  -0.28300  1.0 1.0
   71    73   -75    62   0.26700 -1.0 2.0
   71    73   -75    62  -0.63300  1.0 3.0
   71    73    75    76   0.00000  1.0 1.0
   71    73    75    77   0.00000  1.0 1.0
   72    71    73    74   7.00000 -1.0 2.0
   72    71    73    75   7.00000 -1.0 2.0
   74    73    75    62   0.00000  1.0 1.0
   74    73    75    76   0.33100  1.0 3.0
   74    73    75    77   0.33100  1.0 3.0
   75    62    66    67   7.00000 -1.0 2.0
   75    62   -66    68   7.00000 -1.0 2.0
   63    60    62    66   0.90200  1.0 1.0
   63    60    62    66   0.57900 -1.0 2.0
   63    60    62    66  -0.62100  1.0 3.0
   63    60    62    75   0.52100  1.0 1.0
   63    60    62    75  -0.20350 -1.0 2.0
   63    60    62    75   0.29750  1.0 3.0
   43    37    42    46   0.00000  1.0 1.0
   43    37    42    48   0.00000  1.0 1.0
   38    33    37    42  -0.93550  1.0 1.0
   38    33    37    42   0.38900 -1.0 2.0
   38    33    37    42   0.16950  1.0 3.0
   38    33    37    43   0.09850  1.0 1.0
   38    33    37    43   0.15250 -1.0 2.0
   38    33    37    43  -0.50650  1.0 3.0
   38    33    53    52   0.44750  1.0 1.0
   38    33    53    52  -0.17800 -1.0 2.0
   38    33    53    52   0.20200  1.0 3.0
   38    33    53    54   0.15000  1.0 3.0
   38    33    53    55   0.15000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    42    37    43   1.10000 -1.0 2.0
   48    46    42    37   1.00000 -1.0 2.0
   42    50    46    47  10.50000 -1.0 2.0
   57    58    56    50   1.00000 -1.0 2.0
   56    60    58    59  10.50000 -1.0 2.0
   60    75    62    66   1.10000 -1.0 2.0
   68    67    66    62   1.10000 -1.0 2.0
   68    72    71    73   1.10000 -1.0 2.0
   75    74    73    71   1.10000 -1.0 2.0
   44    45    43    37   1.10000 -1.0 2.0
END
