* LIGAND DATABASE FILE (OPLS2005)
*
001      83    82    148    211     431
    1     0 S   NP   _N1_     1    29.31968    97.23997   -22.30235
    2     1 S   H    _HN1     2     1.02944    65.81065     5.69041
    3     1 S   H    _H1_     3     1.02825    45.16220   160.17940
    4     1 S   H    _H2_     4     1.02797   104.02489   -98.41079
    5     1 S   CT   _CA1     5     1.50131   142.33220    98.24249
    6     5 S   HC   _HA1     6     1.09579   105.15944   101.35332
    7     5 S   CO3  _C1_     7     1.53770   112.33073   -18.81312
    8     7 S   O2Z  _O11     8     1.26384   114.99977   -45.88586
    9     7 S   O2Z  _O12     9     1.26221   114.93116   132.91229
   10     5 S   CT   _CB1    10     1.53043   107.37163  -140.77473
   11    10 S   HC   HB11    11     1.09843   109.35711   -49.74548
   12    10 S   HC   HB12    12     1.09805   110.52581    66.87819
   13    10 S   CT   _CG1    13     1.52973   112.53761  -170.64113
   14    13 S   HC   HG11    14     1.09542   110.66729   -67.80991
   15    13 S   HC   HG12    15     1.09663   109.67111    51.37214
   16    13 S   C    _CD1    16     1.51817   111.86543   172.03859
   17    16 S   O    _OE1    17     1.22763   123.13298    16.50072
   18    16 S   N    _N2_    18     1.38515   111.87615  -163.71979
   19    18 S   H    _HN2    19     1.01644   118.94177     0.56648
   20    18 S   CT1  _CA2    20     1.46098   123.68842   176.72763
   21    20 S   HC   _HA2    21     1.09726   109.29707     7.71388
   22    20 S   C    _C2_    22     1.53737   108.90790  -107.77734
   23    22 S   O    _O2_    23     1.23100   122.17740  -151.10210
   24    20 S   CT   _CB2    32     1.53385   111.51350   129.89361
   25    24 S   HC   HB21    33     1.09290   109.90995    57.19396
   26    24 S   HC   HB22    34     1.09542   110.18242   174.58297
   27    22 S   N    _N3_    24     1.38310   113.98837    36.49653
   28    27 S   H    _HN3    25     1.01534   119.58203    -3.52020
   29    24 S   S    _SG2    35     1.83297   111.83630   -67.53541
   30    27 S   CT   _CA3    26     1.45262   123.29966   177.25263
   31    30 S   HC   HA31    27     1.09547   107.56275   -64.00043
   32    30 S   HC   HA32    28     1.09558   107.93613    52.44443
   33    29 S   CT   _C18    36     1.87616   102.19057   121.58123
   34    30 S   CO3  _C3_    29     1.52974   114.05917   174.46211
   35    34 S   O2Z  _O31    30     1.26384   116.11563     1.56323
   36    34 S   O2Z  _O32    31     1.26433   114.40924  -178.42978
   37    33 S   CM   _C5_    37     1.52550   107.00559   -63.57587
   38    37 S   HC   _H23    38     1.09423   112.30472   -60.68691
   39    33 S   CT   _C9_    46     1.53888   107.91859    64.90754
   40    39 S   HC   _H27    47     1.09714   111.16564    60.41131
   41    39 S   HC   _H28    48     1.09530   111.60088   179.27909
   42    39 S   HC   _H29    49     1.09416   113.25285   -60.09573
   43    33 S   CT   _C15    50     1.56017   104.93488  -178.76125
   44    43 S   HC   _H43    51     1.10052   109.74766    57.55420
   45    43 S   HC   _H44    52     1.09996   109.74160   -58.57539
   46    37 S   CMA  _C7_    39     1.35532   132.10569   119.74386
   47    46 S   OM   _O17    40     1.26609   126.78411     0.27124
   48    43 S   CT   _C13    53     1.53733   114.59927   179.51463
   49    48 S   HC   _H39    54     1.09599   110.20497    64.73435
   50    48 S   HC   _H40    55     1.09374   111.17988   -52.30654
   51    46 S   OS   _O20    41     1.42393   108.95388   179.70064
   52    48 S   CM   _C4_    56     1.50461   110.98763  -176.38535
   53    52 S   HC   _H22    57     1.08913   114.33059   -79.38621
   54    51 S   CT   _C12    42     1.42636   115.04073   153.05047
   55    54 S   HC   _H36    43     1.09409   107.74136  -173.30145
   56    54 S   HC   _H37    44     1.09473   111.01982    68.72528
   57    54 S   HC   _H38    45     1.09529   111.06340   -55.26139
   58    52 S   CM   _C6_    58     1.34760   127.22685   102.06237
   59    58 S   CT   _C8_    59     1.50501   124.15736    -3.41656
   60    59 S   HC   _H24    60     1.09419   110.45872   107.00086
   61    59 S   HC   _H25    61     1.09311   113.09573   -14.27188
   62    59 S   HC   _H26    62     1.09538   110.23685  -133.23683
   63    58 S   CT   _C14    63     1.51654   120.22509   178.74602
   64    63 S   HC   _H41    64     1.09721   109.00014   128.50872
   65    63 S   HC   _H42    65     1.09670   109.88308    12.89021
   66    63 S   CT   _C16    66     1.53625   112.37070  -109.32077
   67    66 S   HC   _H45    67     1.09709   108.08218    60.21099
   68    66 S   HC   _H46    68     1.09568   109.30873   -56.67829
   69    66 S   CT   _C17    69     1.54070   112.42478  -178.56742
   70    69 S   HC   _H47    70     1.09805   108.33455    50.10329
   71    69 S   CT   _C19    71     1.55065   113.55647   170.30101
   72    69 S   OH   _O18    82     1.42724   109.50721   -67.30241
   73    72 S   HO   _H48    83     0.97170   107.88587    71.43989
   74    71 S   CT   _C10    72     1.53506   110.43950  -177.89327
   75    74 S   HC   _H30    73     1.09601   110.70452    57.26466
   76    74 S   HC   _H31    74     1.09625   110.90397   174.93067
   77    74 S   HC   _H32    75     1.09462   112.04366   -64.05779
   78    71 S   CT   _C11    76     1.53296   112.88905    59.32517
   79    78 S   HC   _H33    77     1.09508   111.33046   -64.33895
   80    78 S   HC   _H34    78     1.09445   111.92787    57.67036
   81    78 S   HC   _H35    79     1.09647   110.68992   178.33035
   82    71 S   OH   _O19    80     1.43160   108.15464   -60.45422
   83    82 S   HO   _H49    81     0.97258   108.03268   179.95154
  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
  16   2   1   1  13   5   8   3   2   1   9   5   4   6   2   7
   4   3   4  10   3   3   2   1   1  11   7   3   2   1   9   5
   4  10   5   4  14   6  12   4   1   9   4   3   2   5   3   2
   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    43    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    46    39    40    41    42    43    44    45    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    46    47    51    39    40    41    42    43    44    45    48    49    50    52  
   35    36  
   36  
    0  
   38    46    47    51    54    39    40    41    42    43    44    45    48  
   46    47    51    39    43  
   40    41    42    43    44    45    48    46  
   41    42    43  
   42    43  
   43  
   44    45    48    49    50    52    53    58    46  
   45    48    49    50    52  
   48    49    50    52  
   47    51    54    55    56    57  
   51    54  
   49    50    52    53    58    59    63  
   50    52    53    58  
   52    53    58  
   54    55    56    57  
   53    58    59    60    61    62    63    64    65    66  
   58    59    63  
   55    56    57  
   56    57  
   57  
    0  
   59    60    61    62    63    64    65    66    67    68    69  
   60    61    62    63    64    65    66  
   61    62    63  
   62    63  
   63  
   64    65    66    67    68    69    70    71    72  
   65    66    67    68    69  
   66    67    68    69  
   67    68    69    70    71    74    78    82    72    73  
   68    69    70    71    72  
   69    70    71    72  
   70    71    74    75    76    77    78    79    80    81    82    83    72    73  
   71    74    78    82    72    73  
   74    75    76    77    78    79    80    81    82    83    72    73  
   73    74    78    82  
    0  
   75    76    77    78    79    80    81    82    83  
   76    77    78    82  
   77    78    82  
   78    82  
   79    80    81    82    83  
   80    81    82  
   81    82  
   82  
   83  
    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  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   47   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   52   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   53   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   72   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    39   268.000  1.529
   33    43   268.000  1.529
   37    38   340.000  1.080
   37    46   465.000  1.376
   46    47   745.000  1.250
   46    51   440.000  1.360
   51    54   320.000  1.410
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    52   317.000  1.510
   52    53   340.000  1.080
   52    58   549.000  1.340
   58    59   317.000  1.510
   58    63   317.000  1.510
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   268.000  1.529
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   268.000  1.529
   69    70   340.000  1.090
   69    71   268.000  1.529
   69    72   320.000  1.410
   71    74   268.000  1.529
   71    78   268.000  1.529
   71    82   320.000  1.410
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   340.000  1.090
   82    83   553.000  0.945
   72    73   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    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    39    75.00000  111.63000
   29    33    43    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    46    70.00000  124.00000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   33    43    44    37.50000  110.70000
   33    43    45    37.50000  110.70000
   33    43    48    58.35000  112.70000
   37    46    47    65.00000  137.10300
   37    46    51    80.00000  120.01400
   46    37    38    40.00000  120.50800
   46    51    54    90.00000  111.18400
   51    46    47    65.00000  121.00000
   51    54    55    35.00000  109.50000
   51    54    56    35.00000  109.50000
   51    54    57    35.00000  109.50000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   39    33    37    70.00000  112.02700
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
   43    33    37    70.00000  112.02700
   43    33    39    58.35000  112.70000
   43    48    49    37.50000  110.70000
   43    48    50    37.50000  110.70000
   43    48    52    70.00000  112.02700
   45    43    44    33.00000  107.80000
   48    43    44    37.50000  110.70000
   48    43    45    37.50000  110.70000
   48    52    53    35.00000  117.00000
   48    52    58    70.00000  124.00000
   50    48    49    33.00000  107.80000
   52    48    49    35.00000  109.50000
   52    48    50    35.00000  109.50000
   52    58    59    70.00000  124.00000
   52    58    63    70.00000  124.00000
   58    52    53    35.00000  120.00000
   58    59    60    35.00000  109.50000
   58    59    61    35.00000  109.50000
   58    59    62    35.00000  109.50000
   58    63    64    35.00000  109.50000
   58    63    65    35.00000  109.50000
   58    63    66    70.00000  112.02700
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   63    58    59    65.00000  117.92700
   63    66    67    37.50000  110.70000
   63    66    68    37.50000  110.70000
   63    66    69    58.35000  112.70000
   65    63    64    33.00000  107.80000
   66    63    64    37.50000  110.70000
   66    63    65    37.50000  110.70000
   66    69    70    37.50000  110.70000
   66    69    71    58.35000  112.70000
   66    69    72    50.00000  109.50000
   68    66    67    33.00000  107.80000
   69    66    67    37.50000  110.70000
   69    66    68    37.50000  110.70000
   69    71    74    58.35000  112.70000
   69    71    78    58.35000  112.70000
   69    71    82    50.00000  109.50000
   69    72    73    55.00000  108.50000
   71    69    70    37.50000  110.70000
   71    74    75    37.50000  110.70000
   71    74    76    37.50000  110.70000
   71    74    77    37.50000  110.70000
   71    78    79    37.50000  110.70000
   71    78    80    37.50000  110.70000
   71    78    81    37.50000  110.70000
   71    82    83    55.00000  108.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   78    71    74    58.35000  112.70000
   80    78    79    33.00000  107.80000
   81    78    79    33.00000  107.80000
   81    78    80    33.00000  107.80000
   82    71    74    50.00000  109.50000
   82    71    78    50.00000  109.50000
   72    69    70    35.00000  109.50000
   72    69    71    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    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    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
   24    29    33    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    46   0.42700  1.0 1.0
   29    33    37    46  -0.70350 -1.0 2.0
   29    33    37    46  -0.43150  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   29    33    43    44   0.15000  1.0 3.0
   29    33    43    45   0.15000  1.0 3.0
   29    33    43    48   0.44750  1.0 1.0
   29    33    43    48  -0.17800 -1.0 2.0
   29    33    43    48   0.20200  1.0 3.0
   33    37    46    47   7.00000 -1.0 2.0
   33    37    46    51   7.00000 -1.0 2.0
   33    43    48    49   0.15000  1.0 3.0
   33    43    48    50   0.15000  1.0 3.0
   33    43    48    52   0.34400  1.0 1.0
   33    43    48    52   0.09450 -1.0 2.0
   33    43    48    52   0.11100  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    33    43    44   0.15000  1.0 3.0
   37    33    43    45   0.15000  1.0 3.0
   37    33    43    48   0.34400  1.0 1.0
   37    33    43    48   0.09450 -1.0 2.0
   37    33    43    48   0.11100  1.0 3.0
   37    46    51    54  -2.26850  1.0 1.0
   37    46    51    54   3.39050 -1.0 2.0
   38    37    46    47   7.00000 -1.0 2.0
   38    37    46    51   7.00000 -1.0 2.0
   46    51    54    55   0.08050  1.0 3.0
   46    51    54    56   0.08050  1.0 3.0
   46    51    54    57   0.08050  1.0 3.0
   47    46    51    54   2.00000 -1.0 2.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    46   0.09850  1.0 1.0
   39    33    37    46   0.15250 -1.0 2.0
   39    33    37    46  -0.50650  1.0 3.0
   39    33    43    44   0.15000  1.0 3.0
   39    33    43    45   0.15000  1.0 3.0
   39    33    43    48   0.56750  1.0 1.0
   39    33    43    48  -0.07550 -1.0 2.0
   39    33    43    48   0.20000  1.0 3.0
   43    33    37    38   0.00000  1.0 1.0
   43    33    37    46   0.09850  1.0 1.0
   43    33    37    46   0.15250 -1.0 2.0
   43    33    37    46  -0.50650  1.0 3.0
   43    33    39    40   0.15000  1.0 3.0
   43    33    39    41   0.15000  1.0 3.0
   43    33    39    42   0.15000  1.0 3.0
   43    48    52    53   0.00000  1.0 1.0
   43    48    52    58   0.09850  1.0 1.0
   43    48    52    58   0.15250 -1.0 2.0
   43    48    52    58  -0.50650  1.0 3.0
   44    43    48    49   0.15000  1.0 3.0
   44    43    48    50   0.15000  1.0 3.0
   44    43    48    52   0.15000  1.0 3.0
   45    43    48    49   0.15000  1.0 3.0
   45    43    48    50   0.15000  1.0 3.0
   45    43    48    52   0.15000  1.0 3.0
   48    52    58    59   7.00000 -1.0 2.0
   48    52    58    63   7.00000 -1.0 2.0
   49    48    52    53   0.33100  1.0 3.0
   49    48    52    58   0.00000  1.0 1.0
   50    48    52    53   0.33100  1.0 3.0
   50    48    52    58   0.00000  1.0 1.0
   52    58    59    60   0.00000  1.0 1.0
   52    58    59    61   0.00000  1.0 1.0
   52    58    59    62   0.00000  1.0 1.0
   52    58    63    64   0.00000  1.0 1.0
   52    58    63    65   0.00000  1.0 1.0
   52    58    63    66   0.09850  1.0 1.0
   52    58    63    66   0.15250 -1.0 2.0
   52    58    63    66  -0.50650  1.0 3.0
   53    52    58    59   7.00000 -1.0 2.0
   53    52    58    63   7.00000 -1.0 2.0
   58    63    66    67   0.15000  1.0 3.0
   58    63    66    68   0.15000  1.0 3.0
   58    63    66    69   0.34400  1.0 1.0
   58    63    66    69   0.09450 -1.0 2.0
   58    63    66    69   0.11100  1.0 3.0
   59    58    63    64   0.34800  1.0 3.0
   59    58    63    65   0.34800  1.0 3.0
   59    58    63    66   0.46850  1.0 1.0
   59    58    63    66   0.08550 -1.0 2.0
   59    58    63    66   0.09800  1.0 3.0
   63    58    59    60   0.34800  1.0 3.0
   63    58    59    61   0.34800  1.0 3.0
   63    58    59    62   0.34800  1.0 3.0
   63    66    69    70   0.15000  1.0 3.0
   63    66    69    71   0.56750  1.0 1.0
   63    66    69    71  -0.07550 -1.0 2.0
   63    66    69    71   0.20000  1.0 3.0
   63    66    69    72   0.86500  1.0 1.0
   63    66    69    72  -0.17500 -1.0 2.0
   63    66    69    72   0.20800  1.0 3.0
   64    63    66    67   0.15000  1.0 3.0
   64    63    66    68   0.15000  1.0 3.0
   64    63    66    69   0.15000  1.0 3.0
   65    63    66    67   0.15000  1.0 3.0
   65    63    66    68   0.15000  1.0 3.0
   65    63    66    69   0.15000  1.0 3.0
   66    69    71    74   0.56750  1.0 1.0
   66    69    71    74  -0.07550 -1.0 2.0
   66    69    71    74   0.20000  1.0 3.0
   66    69    71    78   0.56750  1.0 1.0
   66    69    71    78  -0.07550 -1.0 2.0
   66    69    71    78   0.20000  1.0 3.0
   66    69    71    82   0.86500  1.0 1.0
   66    69    71    82  -0.17500 -1.0 2.0
   66    69    71    82   0.20800  1.0 3.0
   66    69    72    73  -0.11600  1.0 1.0
   66    69    72    73  -0.09450 -1.0 2.0
   66    69    72    73   0.21250  1.0 3.0
   67    66    69    70   0.15000  1.0 3.0
   67    66    69    71   0.15000  1.0 3.0
   67    66    69    72   0.23400  1.0 3.0
   68    66    69    70   0.15000  1.0 3.0
   68    66    69    71   0.15000  1.0 3.0
   68    66    69    72   0.23400  1.0 3.0
   69    71    74    75   0.15000  1.0 3.0
   69    71    74    76   0.15000  1.0 3.0
   69    71    74    77   0.15000  1.0 3.0
   69    71    78    79   0.15000  1.0 3.0
   69    71    78    80   0.15000  1.0 3.0
   69    71    78    81   0.15000  1.0 3.0
   69    71    82    83  -0.11600  1.0 1.0
   69    71    82    83  -0.09450 -1.0 2.0
   69    71    82    83   0.21250  1.0 3.0
   70    69    71    74   0.15000  1.0 3.0
   70    69    71    78   0.15000  1.0 3.0
   70    69    71    82   0.23400  1.0 3.0
   70    69    72    73   0.19450  1.0 3.0
   71    69    72    73  -0.11600  1.0 1.0
   71    69    72    73  -0.09450 -1.0 2.0
   71    69    72    73   0.21250  1.0 3.0
   74    71    78    79   0.15000  1.0 3.0
   74    71    78    80   0.15000  1.0 3.0
   74    71    78    81   0.15000  1.0 3.0
   74    71    82    83  -0.11600  1.0 1.0
   74    71    82    83  -0.09450 -1.0 2.0
   74    71    82    83   0.21250  1.0 3.0
   78    71    74    75   0.15000  1.0 3.0
   78    71    74    76   0.15000  1.0 3.0
   78    71    74    77   0.15000  1.0 3.0
   78    71    82    83  -0.11600  1.0 1.0
   78    71    82    83  -0.09450 -1.0 2.0
   78    71    82    83   0.21250  1.0 3.0
   82    71    74    75   0.23400  1.0 3.0
   82    71    74    76   0.23400  1.0 3.0
   82    71    74    77   0.23400  1.0 3.0
   82    71    78    79   0.23400  1.0 3.0
   82    71    78    80   0.23400  1.0 3.0
   82    71    78    81   0.23400  1.0 3.0
   72    69    71    74   0.86500  1.0 1.0
   72    69    71    74  -0.17500 -1.0 2.0
   72    69    71    74   0.20800  1.0 3.0
   72    69    71    78   0.86500  1.0 1.0
   72    69    71    78  -0.17500 -1.0 2.0
   72    69    71    78   0.20800  1.0 3.0
   72    69    71    82   3.75450  1.0 1.0
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
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    46  15.00000 -1.0 2.0
   47    51    46    37  15.00000 -1.0 2.0
   48    53    52    58  15.00000 -1.0 2.0
   59    63    58    52  15.00000 -1.0 2.0
END
