* LIGAND DATABASE FILE (OPLS2005)
*
001      78    80    144    220     417
    1     0 S   NP   _N1_     1    28.98283    92.91382   -22.96371
    2     1 S   H    _HN1     2     1.02840    21.14771   155.12531
    3     1 S   H    _H1_     3     1.02782    99.30322   -88.89216
    4     1 S   H    _H2_     4     1.02955    92.34556    20.12041
    5     1 S   CT   _CA1     5     1.50105   131.32257   140.20230
    6     5 S   HC   _HA1     6     1.09576   105.24481    64.90140
    7     5 S   CO3  _C1_     7     1.53785   112.35542   -55.36231
    8     7 S   O2Z  _O11     8     1.26364   114.99245   -45.23551
    9     7 S   O2Z  _O12     9     1.26234   114.91657   133.97435
   10     5 S   CT   _CB1    10     1.53099   107.45164  -177.17298
   11    10 S   HC   HB11    11     1.09830   109.37167   -50.67551
   12    10 S   HC   HB12    12     1.09821   110.43326    65.88838
   13    10 S   CT   _CG1    13     1.53027   112.62938  -171.73727
   14    13 S   HC   HG11    14     1.09597   110.49646   -63.66664
   15    13 S   HC   HG12    15     1.09654   109.94048    55.56912
   16    13 S   C    _CD1    16     1.51810   112.27339   175.98292
   17    16 S   O    _OE1    17     1.22733   123.16929     0.28736
   18    16 S   N    _N2_    18     1.38680   111.62254  -179.66312
   19    18 S   H    _HN2    19     1.01580   119.02519     1.64092
   20    18 S   CT1  _CA2    20     1.46112   123.41894   179.77794
   21    20 S   HC   _HA2    21     1.09432   109.26888    -3.70982
   22    20 S   C    _C2_    22     1.53498   108.69664  -118.54746
   23    22 S   O    _O2_    23     1.23040   122.12014  -146.23205
   24    20 S   CT   _CB2    32     1.53417   111.76632   119.02619
   25    24 S   HC   HB21    33     1.09674   109.30747    62.47195
   26    24 S   HC   HB22    34     1.09567   111.04169   179.51949
   27    22 S   N    _N3_    24     1.38478   113.53086    41.32915
   28    27 S   H    _HN3    25     1.01486   118.97139    -0.53192
   29    24 S   S    _SG2    35     1.82914   114.84487   -56.81604
   30    27 S   CT   _CA3    26     1.45444   123.40215   174.58626
   31    30 S   HC   HA31    27     1.09528   109.12983    26.03945
   32    30 S   HC   HA32    28     1.09488   107.12569   143.09156
   33    29 S   CT   _C16    36     1.82321   100.30840   -77.56478
   34    33 S   HC   _H8_    37     1.09570   108.20987   -53.66025
   35    30 S   CO3  _C3_    29     1.52970   113.31193   -97.30998
   36    35 S   O2Z  _O31    30     1.26391   115.55433   -39.26077
   37    35 S   O2Z  _O32    31     1.26380   114.86357   141.68363
   38    33 S   CT   _C15    38     1.52714   110.82417  -175.47719
   39    38 S   HC   _H7_    39     1.09765   111.66122   -33.26408
   40    38 S   CT   _C14    40     1.51880   102.12838  -149.51322
   41    40 S   HC   _H6_    41     1.09312   112.71683   161.23922
   42    38 S   OH   _O34    77     1.41495   112.10720    89.02187
   43    42 S   HO   _H19    78     0.97252   107.61269   166.03756
   44    40 S   CO   _C13    42     1.52637   100.54047    39.56755
   45    44 S   HC   _H5_    43     1.09733   110.61009    75.47141
   46    40 S   OH   _O35    75     1.42864   110.16215   -78.27993
   47    46 S   HO   _H20    76     0.97275   108.31242    77.85057
   48    44 S   N*   _N8_    44     1.44551   113.07314  -160.79222
   49    33 S   OS   _O33    74     1.43661   112.37184    65.98311
   50    48 S   CDX  _C12    45     1.37307   126.33038   146.09740
   51    50 S   HC   _H18    46     1.10023   117.26110    -9.07961
   52    50 S   NI   _N7_    47     1.31140   118.49613   166.21489
   53    52 S   CT   _C11    48     1.49258   100.18907     8.53990
   54    53 S   HC   _H4_    49     1.10159   107.07704    91.33898
   55    53 S   CG   _C8_    50     1.47369   118.26915  -146.74410
   56    55 S   NG   _N5_    51     1.33866   113.05350   161.86640
   57    56 S   H    _H16    52     1.01452   118.17070   172.02080
   58    55 S   NG   _N4_    58     1.32731   118.44407   -20.19608
   59    58 S   H    _H15    59     1.01819   116.02876     1.82456
   60    56 S   CDX  _C9_    53     1.44946   121.40976    -4.80391
   61    60 S   HC   _H17    54     1.10075   113.48105   163.26147
   62    58 S   CT   _C7_    60     1.46608   123.15913  -179.11353
   63    62 S   HC   _H13    61     1.09325   109.21579   -56.90805
   64    62 S   HC   _H14    62     1.09548   108.88358    60.48364
   65    60 S   NI   _N6_    55     1.29485   124.46753   -16.12502
   66    62 S   CM   _C6_    63     1.49578   108.58133   179.49954
   67    66 S   HC   _H12    64     1.08926   114.28810   -81.60083
   68    48 S   CT   _C10    56     1.44815   121.81221   -66.86114
   69    68 S   HC   _H3_    57     1.10193   106.57495   -68.02960
   70    66 S   CM   _C5_    65     1.34659   127.48104    99.82200
   71    70 S   CT   _C4_    66     1.50562   120.56679   178.26134
   72    71 S   HC   _H9_    67     1.09494   110.28656   119.16050
   73    71 S   HC   _H10    68     1.09498   110.20180  -121.01940
   74    71 S   HC   _H11    69     1.09512   112.39255    -0.97197
   75    70 S   CT   _C17    70     1.50282   124.96742    -2.45655
   76    75 S   HC   _H21    71     1.09480   110.11207   114.24431
   77    75 S   HC   _H22    72     1.09540   110.06667  -126.40485
   78    75 S   HC   _H23    73     1.09246   113.39285    -6.83182
  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   8   5   4   3
  12   6   2   1   1  11   7  11   7   4   1  12   5   3   1  11
   2   8   3   8  11   6  13   8   4   9   4   4   2   7   4   3
   2  10   3   1   1   8   7   3   2   1   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    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    49    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    45    48    49    46    42    43  
   38    39    40    44    49    42  
   36    37  
   37  
    0  
   39    40    41    44    45    48    49    46    47    42    43  
   40    41    44    49    46    42    43  
   41    44    45    48    50    68    49    46    47    42    43  
   44    45    48    49    46    47    42  
   43    44    46    49  
    0  
   45    48    50    51    52    53    65    68    69    49    46    47  
   48    50    68    49    46  
   47    48    49  
    0  
   50    51    52    53    54    55    60    65    68    69    49  
   50    68  
   51    52    53    54    55    65    68    69  
   52    53    68  
   53    54    55    56    65    68    69    58  
   54    55    56    57    60    65    68    69    58    59    62  
   55    56    65    68    69    58  
   56    57    60    61    65    68    69    58    59    62    63    64    66  
   57    60    61    65    68    58    59    62  
   60    61    65    58  
   59    62    63    64    66    67    70    60    68  
   62    63    64    66  
   61    65    68    69  
   65    68  
   63    64    66    67    70    71    75  
   64    66    67    70  
   66    67    70  
   68    69  
   67    70    71    72    73    74    75    76    77    78  
   70    71    75  
   69  
    0  
   71    72    73    74    75    76    77    78  
   72    73    74    75    76    77    78  
   73    74    75  
   74    75  
   75  
   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  -0.316400   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.318900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0150   0.100000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.2500   0.1700  -0.220000   1.9050   1.6860   0.051222218  -2.220205820
   49   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.7500   0.1050   0.275900   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.058100   1.4250   1.2500   0.008598240   0.268726247
   52   3.2800   0.1700  -0.516000   1.8540   1.6400   0.005000000   0.000000000
   53   3.5000   0.0660   0.326800   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.2500   0.0500   0.137000   2.0020   1.7750   0.023028004  -0.852763146
   56   3.2500   0.1700  -0.151000   1.8650   1.6500   0.051222218  -2.220205820
   57   0.0000   0.0000   0.345100   0.9960   0.8600   0.030040813  -0.651083722
   58   3.2500   0.1700  -0.340900   2.2900   2.0360   0.003973653   1.685851020
   59   0.0000   0.0000   0.345100   0.9960   0.8600   0.030040813  -0.651083722
   60   3.7500   0.1050   0.423400   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.058100   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660   0.192400   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.2800   0.1700  -0.516000   1.8540   1.6400   0.005000000   0.000000000
   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   0.219500   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   71   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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   268.000  1.529
   33    49   320.000  1.410
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    44   250.000  1.527
   40    46   320.000  1.410
   44    45   340.000  1.090
   44    48   275.000  1.479
   44    49   320.000  1.380
   48    50   360.000  1.429
   48    68   337.000  1.475
   50    51   370.000  1.091
   50    52   650.000  1.285
   52    53   315.000  1.435
   53    54   340.000  1.090
   53    55   290.000  1.488
   53    68   268.000  1.529
   55    56   481.000  1.340
   55    58   481.000  1.340
   56    57   434.000  1.010
   56    60   420.000  1.378
   60    61   370.000  1.091
   60    65   650.000  1.285
   65    68   315.000  1.435
   68    69   340.000  1.090
   58    59   434.000  1.010
   58    62   337.000  1.463
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    66   317.000  1.510
   66    67   340.000  1.080
   66    70   549.000  1.340
   70    71   317.000  1.510
   70    75   317.000  1.510
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   46    47   553.000  0.945
   42    43   553.000  0.945
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  111.63000
   29    33    49    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    49    44    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    75.00000  109.43000
   38    40    46    50.00000  109.50000
   38    42    43    55.00000  108.50000
   40    38    39    37.50000  110.70000
   40    44    45    45.00000  112.01100
   40    44    48    75.00000  107.44000
   40    44    49    90.00000  108.56700
   40    46    47    55.00000  108.50000
   44    40    41    45.00000  108.72000
   44    48    50    70.00000  121.20000
   44    48    68    65.00000  120.78000
   48    44    45    55.00000  103.44000
   48    50    51    45.00000  112.72000
   48    50    52    80.00000  119.04400
   48    68    53    80.00000  111.20000
   48    68    65    85.00000  109.00000
   48    68    69    35.00000  109.50000
   50    52    53    75.00000  112.28000
   52    50    51    45.00000  121.92500
   52    53    54    50.00000  110.29200
   52    53    55    75.00000  110.00000
   52    53    68    80.00000  110.18800
   53    55    56    70.00000  119.45300
   53    55    58    70.00000  119.45300
   53    68    65    80.00000  110.18800
   53    68    69    37.50000  110.70000
   55    53    54    45.00000  109.33400
   55    56    57    35.00000  120.00000
   55    56    60    60.00000  130.72000
   55    58    59    35.00000  120.00000
   55    58    62    50.00000  123.20000
   56    60    61    50.00000  114.66700
   56    60    65    95.00000  107.96000
   60    56    57    35.00000  119.50000
   60    65    68    75.00000  112.28000
   65    60    61    45.00000  121.92500
   65    68    69    50.00000  110.29200
   68    48    50    70.00000  121.20000
   68    53    54    37.50000  110.70000
   68    53    55    70.00000  109.02000
   58    55    56    70.00000  120.00000
   58    62    63    35.00000  109.50000
   58    62    64    35.00000  109.50000
   58    62    66    85.00000  108.88000
   62    58    59    35.00000  118.40000
   62    66    67    35.00000  117.00000
   62    66    70    70.00000  124.00000
   64    62    63    33.00000  107.80000
   66    62    63    35.00000  109.50000
   66    62    64    35.00000  109.50000
   66    70    71    70.00000  124.00000
   66    70    75    70.00000  124.00000
   70    66    67    35.00000  120.00000
   70    71    72    35.00000  109.50000
   70    71    73    35.00000  109.50000
   70    71    74    35.00000  109.50000
   70    75    76    35.00000  109.50000
   70    75    77    35.00000  109.50000
   70    75    78    35.00000  109.50000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   75    70    71    65.00000  117.92700
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   49    33    34    35.00000  109.50000
   49    33    38    50.00000  109.50000
   49    44    45    35.00000  109.50000
   49    44    48   105.00000  106.22000
   46    40    41    35.00000  109.50000
   46    40    44    90.00000  111.58700
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    49   0.13850  1.0 1.0
   24    29    33    49  -1.34450 -1.0 2.0
   24    29    33    49   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    49    44   0.14700  1.0 1.0
   29    33    49    44  -1.16150 -1.0 2.0
   29    33    49    44   0.48700  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38   -40    44   3.97050  1.0 1.0
   33    38    40    46   0.86500  1.0 1.0
   33    38    40    46  -0.17500 -1.0 2.0
   33    38    40    46   0.20800  1.0 3.0
   33    38    42    43  -0.11600  1.0 1.0
   33    38    42    43  -0.09450 -1.0 2.0
   33    38    42    43   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    49    44   0.37050  1.0 3.0
   38    33   -49    44   0.06250  1.0 1.0
   38    33   -49    44  -0.01100 -1.0 2.0
   38    33   -49    44   0.28050  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40    44    48  -0.27100  1.0 1.0
   38    40    44    48  -0.01700 -1.0 2.0
   38    40    44    48  -0.48600  1.0 3.0
   38    40   -44    49   0.62750  1.0 1.0
   38    40   -44    49  -0.30950 -1.0 2.0
   38    40   -44    49   0.27300  1.0 3.0
   38    40    46    47  -0.11600  1.0 1.0
   38    40    46    47  -0.09450 -1.0 2.0
   38    40    46    47   0.21250  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    40    46   0.23400  1.0 3.0
   39    38    42    43   0.19450  1.0 3.0
   40    38    42    43  -0.11600  1.0 1.0
   40    38    42    43  -0.09450 -1.0 2.0
   40    38    42    43   0.21250  1.0 3.0
   40    44    48    50   2.08450  1.0 1.0
   40    44    48    50  -0.39300 -1.0 2.0
   40    44    48    50   0.23400  1.0 3.0
   40    44    48    68   2.08450  1.0 1.0
   40    44    48    68  -0.39300 -1.0 2.0
   40    44    48    68   0.23400  1.0 3.0
   40    44   -49    33   0.06250  1.0 1.0
   40    44   -49    33  -0.01100 -1.0 2.0
   40    44   -49    33   0.28050  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    48   0.15000  1.0 3.0
   41    40    44    49   0.23400  1.0 3.0
   41    40    46    47   0.19450  1.0 3.0
   44    40    46    47  -0.11600  1.0 1.0
   44    40    46    47  -0.09450 -1.0 2.0
   44    40    46    47   0.21250  1.0 3.0
   44    48    50    51   1.88100 -1.0 2.0
   44    48    50    52   3.62500 -1.0 2.0
   44    48    68    53   0.00000  1.0 1.0
   44    48    68    65   0.68100  1.0 1.0
   44    48    68    65   0.03350 -1.0 2.0
   44    48    68    65   0.36200  1.0 3.0
   44    48    68    69   0.00000  1.0 1.0
   45    44    48    50   0.00000  1.0 1.0
   45    44    48    68   0.00000  1.0 1.0
   45    44    49    33   0.37050  1.0 3.0
   48    44    49    33  -2.37750  1.0 1.0
   48    44    49    33  -0.08150 -1.0 2.0
   48    44    49    33   0.59000  1.0 3.0
   48    50   -52    53   6.00000 -1.0 2.0
   50    48   -68    53   2.08450  1.0 1.0
   50    48   -68    53  -0.39300 -1.0 2.0
   50    48   -68    53   0.23400  1.0 3.0
   50    48    68    65   0.68100  1.0 1.0
   50    48    68    65   0.03350 -1.0 2.0
   50    48    68    65   0.36200  1.0 3.0
   50    48    68    69   0.00000  1.0 1.0
   50    52    53    54  -0.15000  1.0 3.0
   50    52    53    55  -0.12500  1.0 1.0
   50    52    53    55  -0.12500 -1.0 2.0
   50    52    53    55   0.25000  1.0 3.0
   50    52   -53    68  -0.12500  1.0 1.0
   50    52   -53    68  -0.12500 -1.0 2.0
   50    52   -53    68   0.25000  1.0 3.0
   51    50    52    53  -0.02700  1.0 1.0
   51    50    52    53   5.27600 -1.0 2.0
   52    53    55    56   0.00000  1.0 1.0
   52    53    55    58   0.00000  1.0 1.0
   52    53   -68    48   0.56750  1.0 1.0
   52    53   -68    48  -0.07550 -1.0 2.0
   52    53   -68    48   0.20000  1.0 3.0
   52    53    68    65   0.56750  1.0 1.0
   52    53    68    65  -0.07550 -1.0 2.0
   52    53    68    65   0.20000  1.0 3.0
   52    53    68    69   0.15000  1.0 3.0
   53    55    56    57   1.50000 -1.0 2.0
   53    55    56    60   4.00000 -1.0 2.0
   53    55    58    59   1.50000 -1.0 2.0
   53    55    58    62   6.00000 -1.0 2.0
   54    53    55    56   0.00000  1.0 1.0
   54    53    55    58   0.00000  1.0 1.0
   54    53    68    48   0.15000  1.0 3.0
   54    53    68    65   0.15000  1.0 3.0
   54    53    68    69   0.15000  1.0 3.0
   55    53    68    48   0.10350  1.0 1.0
   55    53    68    48  -0.04400 -1.0 2.0
   55    53    68    48   0.08800  1.0 3.0
   55    53    68    65   0.56750  1.0 1.0
   55    53    68    65  -0.07550 -1.0 2.0
   55    53    68    65   0.20000  1.0 3.0
   55    53    68    69   0.15000  1.0 3.0
   55    56    60    61   0.00000  1.0 1.0
   55    56   -60    65   1.00000 -1.0 2.0
   55    58    62    63   0.08850  1.0 3.0
   55    58    62    64   0.08850  1.0 3.0
   55    58    62    66  -0.12500  1.0 1.0
   55    58    62    66  -0.12500 -1.0 2.0
   55    58    62    66   0.25000  1.0 3.0
   56    55    58    59   1.50000 -1.0 2.0
   56    55    58    62   3.96800 -1.0 2.0
   56    60    65    68   0.32050  1.0 1.0
   56    60    65    68   8.28000 -1.0 2.0
   57    56    60    61   1.00000 -1.0 2.0
   57    56    60    65   1.50000 -1.0 2.0
   60    65    68    48  -0.12500  1.0 1.0
   60    65    68    48  -0.12500 -1.0 2.0
   60    65    68    48   0.25000  1.0 3.0
   60    65   -68    53  -0.12500  1.0 1.0
   60    65   -68    53  -0.12500 -1.0 2.0
   60    65   -68    53   0.25000  1.0 3.0
   60    65    68    69  -0.15000  1.0 3.0
   61    60    65    68  -0.02700  1.0 1.0
   61    60    65    68   5.27600 -1.0 2.0
   68    48    50    51   1.88100 -1.0 2.0
   68    48   -50    52   3.62500 -1.0 2.0
   68    53   -55    56  -0.93550  1.0 1.0
   68    53   -55    56   0.38900 -1.0 2.0
   68    53   -55    56   0.16950  1.0 3.0
   68    53    55    58  -0.93550  1.0 1.0
   68    53    55    58   0.38900 -1.0 2.0
   68    53    55    58   0.16950  1.0 3.0
   58    55    56    57   1.50000 -1.0 2.0
   58    55    56    60   4.00000 -1.0 2.0
   58    62    66    67   0.00000  1.0 1.0
   58    62    66    70   0.62150  1.0 1.0
   58    62    66    70   0.42850 -1.0 2.0
   58    62    66    70  -0.68200  1.0 3.0
   59    58    62    63   0.00000  1.0 1.0
   59    58    62    64   0.00000  1.0 1.0
   59    58    62    66   0.00000  1.0 1.0
   62    66    70    71   7.00000 -1.0 2.0
   62    66    70    75   7.00000 -1.0 2.0
   63    62    66    67   0.33100  1.0 3.0
   63    62    66    70   0.00000  1.0 1.0
   64    62    66    67   0.33100  1.0 3.0
   64    62    66    70   0.00000  1.0 1.0
   66    70    71    72   0.00000  1.0 1.0
   66    70    71    73   0.00000  1.0 1.0
   66    70    71    74   0.00000  1.0 1.0
   66    70    75    76   0.00000  1.0 1.0
   66    70    75    77   0.00000  1.0 1.0
   66    70    75    78   0.00000  1.0 1.0
   67    66    70    71   7.00000 -1.0 2.0
   67    66    70    75   7.00000 -1.0 2.0
   71    70    75    76   0.34800  1.0 3.0
   71    70    75    77   0.34800  1.0 3.0
   71    70    75    78   0.34800  1.0 3.0
   75    70    71    72   0.34800  1.0 3.0
   75    70    71    73   0.34800  1.0 3.0
   75    70    71    74   0.34800  1.0 3.0
   49    33    38    39   0.23400  1.0 3.0
   49    33   -38    40   0.62750  1.0 1.0
   49    33   -38    40  -0.30950 -1.0 2.0
   49    33   -38    40   0.27300  1.0 3.0
   49    33    38    42   3.69350  1.0 1.0
   49    33    38    42  -1.82950 -1.0 2.0
   49    44    48    50  -0.28000  1.0 1.0
   49    44    48    50  -1.16550 -1.0 2.0
   49    44    48    68   0.10350  1.0 1.0
   49    44    48    68  -0.15350 -1.0 2.0
   46    40    44    45   0.23400  1.0 3.0
   46    40    44    48   2.76900  1.0 1.0
   46    40    44    48  -0.24350 -1.0 2.0
   46    40    44    48  -0.78250  1.0 3.0
   46    40    44    49   3.69350  1.0 1.0
   46    40    44    49  -1.82950 -1.0 2.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    44   0.86500  1.0 1.0
   42    38    40    44  -0.17500 -1.0 2.0
   42    38    40    44   0.20800  1.0 3.0
   42    38    40    46   3.75450  1.0 1.0
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
   36    30    35    37  10.50000 -1.0 2.0
   68    50    48    44   1.00000 -1.0 2.0
   48    51    50    52  10.50000 -1.0 2.0
   56    53    55    58  10.50000 -1.0 2.0
   57    55    56    60   1.00000 -1.0 2.0
   56    61    60    65  10.50000 -1.0 2.0
   62    59    58    55   1.00000 -1.0 2.0
   62    67    66    70  15.00000 -1.0 2.0
   71    75    70    66  15.00000 -1.0 2.0
END
