* LIGAND DATABASE FILE (OPLS2005)
*
001      86    87    160    240     465
    1     0 S   NP   _N1_     1    28.75570    93.37042   -21.08544
    2     1 S   H    _HN1     2     1.02956    93.63736    10.06607
    3     1 S   H    _H1_     3     1.02842    29.51643   128.94903
    4     1 S   H    _H2_     4     1.02778    88.13305   -98.21376
    5     1 S   CT   _CA1     5     1.50103   139.96857   138.34257
    6     5 S   HC   _HA1     6     1.09573   105.23469    54.28878
    7     5 S   CO3  _C1_     7     1.53786   112.38554   -65.96538
    8     7 S   O2Z  _O11     8     1.26362   114.99306   -43.96069
    9     7 S   O2Z  _O12     9     1.26232   114.91942   135.25626
   10     5 S   CT   _CB1    10     1.53110   107.47346   172.25395
   11    10 S   HC   HB11    11     1.09828   109.38215   -50.36659
   12    10 S   HC   HB12    12     1.09820   110.42664    66.21242
   13    10 S   CT   _CG1    13     1.53020   112.63112  -171.42181
   14    13 S   HC   HG11    14     1.09590   110.50940   -63.64906
   15    13 S   HC   HG12    15     1.09651   109.94593    55.60775
   16    13 S   C    _CD1    16     1.51755   112.28164   176.01292
   17    16 S   O    _OE1    17     1.22754   123.33658    -0.43069
   18    16 S   N    _N2_    18     1.38707   111.75650  -179.98022
   19    18 S   H    _HN2    19     1.01593   118.93817     3.59956
   20    18 S   CT1  _CA2    20     1.46089   123.40307  -179.38738
   21    20 S   HC   _HA2    21     1.09594   108.73620    12.85375
   22    20 S   C    _C2_    22     1.53709   110.20819  -102.68240
   23    22 S   O    _O2_    23     1.23119   121.63766  -151.66008
   24    20 S   CT   _CB2    32     1.53485   111.53850   134.65825
   25    24 S   HC   HB21    33     1.09652   109.62617    59.73868
   26    24 S   HC   HB22    34     1.09570   111.25660   177.25562
   27    22 S   N    _N3_    24     1.38318   114.25937    36.39407
   28    27 S   H    _HN3    25     1.01401   119.26136    -2.99258
   29    24 S   S    _SG2    35     1.82869   114.34562   -60.09789
   30    27 S   CT   _CA3    26     1.45485   123.65412   173.64455
   31    30 S   HC   HA31    27     1.09492   109.83916    17.77642
   32    30 S   HC   HA32    28     1.09507   107.17456   134.90878
   33    29 S   CT   _C20    36     1.83986   100.23932   -69.24833
   34    33 S   HC   _H7_    37     1.09509   107.85093    -7.48247
   35    30 S   CO3  _C3_    29     1.52755   111.93761  -105.66292
   36    35 S   O2Z  _O31    30     1.26449   115.01028   -62.78858
   37    35 S   O2Z  _O32    31     1.26256   115.38019   116.71132
   38    33 S   CT   _C21    38     1.52922   108.22070  -122.56697
   39    38 S   HC   _H27    39     1.09522   112.53813   -58.58941
   40    38 S   HC   _H28    40     1.09526   110.70525  -179.30002
   41    38 S   HC   _H29    41     1.09629   110.85529    62.15157
   42    33 S   CT   _C18    42     1.54494   110.50115   111.98354
   43    42 S   HC   _H6_    43     1.09720   109.66125   -48.50076
   44    42 S   CO4  _C17    44     1.52272   109.89260  -163.94715
   45    44 S   O    _O37    45     1.22338   125.02467  -110.03866
   46    42 S   CT   _C19    83     1.53171   115.05616    71.35037
   47    46 S   HC   _H24    84     1.09495   112.00519    63.71016
   48    46 S   HC   _H25    85     1.09387   111.71160   -58.06171
   49    46 S   HC   _H26    86     1.09626   110.25201  -177.44702
   50    44 S   OS   _O36    46     1.36606   109.46953    70.34858
   51    50 S   CT   _C14    47     1.44116   116.86921   179.40258
   52    51 S   HC   _H5_    48     1.09586   110.41836    36.77612
   53    51 S   CT   _C15    49     1.52472   109.23088   -87.93321
   54    53 S   HC   _H20    50     1.09631   110.43951   167.48691
   55    53 S   HC   _H21    51     1.09384   113.33465    45.16413
   56    53 S   CT   _C16    52     1.52062   103.11327   -74.81006
   57    56 S   HC   _H22    53     1.09406   111.55638    78.09016
   58    56 S   HC   _H23    54     1.09299   113.60181  -156.19464
   59    56 S   NP   _N4_    55     1.50485   103.43662   -38.81342
   60    59 S   H    _H3_    56     1.02895   108.97813   -97.05923
   61    59 S   CT   _C12    57     1.51375   117.51154   139.20698
   62    61 S   HC   _H18    58     1.09328   107.09586   114.62873
   63    61 S   HC   _H19    59     1.09308   109.27381    -5.29365
   64    61 S   CM   _C11    60     1.49330   105.91785  -125.59703
   65    64 S   HC   _H17    61     1.08077   123.24135  -176.65274
   66    64 S   CM   _C10    62     1.33944   111.86964     4.14747
   67    51 S   CT   _C13    63     1.53447   110.65659   159.60572
   68    67 S   HC   _H4_    64     1.09665   110.95916  -160.62856
   69    66 S   CT   _C9_    65     1.48784   127.26198   178.68181
   70    69 S   HC   _H15    66     1.09574   111.16691     5.78066
   71    69 S   HC   _H16    67     1.09592   109.47230  -114.73198
   72    69 S   OS   _O35    68     1.43441   108.29736   125.19070
   73    72 S   CO4  _C8_    69     1.35919   115.58256   166.49902
   74    73 S   O    _O34    70     1.22148   126.47988     1.94138
   75    73 S   CM   _C6_    71     1.48632   108.80972  -177.04925
   76    75 S   CM   _C5_    72     1.34571   120.36068  -139.16246
   77    76 S   HC   _H11    73     1.08940   117.79312  -178.04997
   78    75 S   CT   _C7_    78     1.50319   117.59677    42.06709
   79    78 S   HC   _H12    79     1.09502   110.79243   -66.13021
   80    78 S   HC   _H13    80     1.09532   111.65012   173.48714
   81    76 S   CT   _C4_    74     1.49590   128.45634     3.58015
   82    81 S   HC   _H8_    75     1.09399   110.01261  -107.49923
   83    81 S   HC   _H9_    76     1.09513   109.30826   134.00679
   84    81 S   HC   _H10    77     1.09232   113.51931    14.79778
   85    78 S   OH   _O33    81     1.42222   109.63374    53.94888
   86    85 S   HO   _H14    82     0.97246   107.03550   175.80427
  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  10   5   4   3
  14   8   2   1   1   7   3   2   1   9   7  10   3   4   2   1
   1  10  15   8  11   6   5  11   5   4  10   7   8   5   4   8
   3   7   5   1   6   3   2   5   9   3  11   9   5   5   3   2
   3   2   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    42    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    42    43    44    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    50    46    47    48    49  
   38    39    40    41    42    43    44    46  
   36    37  
   37  
    0  
   39    40    41    42    43    44    46  
   40    41    42  
   41    42  
   42  
   43    44    45    50    51    46    47    48    49  
   44    45    50    46    47    48    49  
   45    50    51    52    53    67    46    47    48    49  
   50    51    46  
   47    48    49    50  
   48    49  
   49  
    0  
   51    52    53    54    55    56    59    66    67    68  
   52    53    54    55    56    57    58    59    60    61    64    66    67    68    69  
   53    54    55    56    59    66    67    68  
   54    55    56    57    58    59    60    61    66    67    68  
   55    56    57    58    59    67  
   56    57    58    59    67  
   57    58    59    60    61    62    63    64    66    67    68  
   58    59    60    61    67  
   59    60    61    67  
   60    61    62    63    64    65    66    67    68    69  
   61    62    63    64    66    67    68  
   62    63    64    65    66    67    68    69  
   63    64    65    66    67  
   64    65    66    67  
   65    66    67    68    69    70    71    72  
   66    67    69  
   67    68    69    70    71    72    73  
   68    69    70    71    72  
   69  
   70    71    72    73    74    75  
   71    72    73  
   72    73  
   73    74    75    76    78  
   74    75    76    77    81    78    79    80    85  
   75    76    78  
   76    77    81    82    83    84    78    79    80    85    86  
   77    81    82    83    84    78    79    80    85  
   81    82    83    84    78  
   79    80    85    86    81  
   80    85    86  
   85    86  
   82    83    84  
   83    84  
   84  
    0  
   86  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   44   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   51   3.5000   0.0660   0.444400   1.9750   1.7500   0.005000000  -0.741685710
   52   2.4200   0.0150   0.030000   1.6450   1.4500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   56   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   59   3.2500   0.1700  -0.100000   2.2900   2.0360   0.003973653   1.685851020
   60   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   61   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   64   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   67   3.5000   0.0660  -0.014400   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   69   3.5000   0.0660   0.259000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   71   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   72   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   73   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   76   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   77   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   78   3.5000   0.0660   0.145000   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   85   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   86   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    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    42   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   340.000  1.090
   42    43   340.000  1.090
   42    44   317.000  1.522
   42    46   268.000  1.529
   44    45   570.000  1.229
   44    50   214.000  1.327
   50    51   320.000  1.410
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    67   268.000  1.529
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    59   367.000  1.471
   59    60   434.000  1.010
   59    61   367.000  1.471
   59    67   367.000  1.471
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   317.000  1.510
   64    65   340.000  1.080
   64    66   549.000  1.340
   66    67   317.000  1.510
   66    69   317.000  1.510
   67    68   340.000  1.090
   69    70   340.000  1.090
   69    71   340.000  1.090
   69    72   320.000  1.410
   72    73   214.000  1.327
   73    74   570.000  1.229
   73    75   320.000  1.462
   75    76   549.000  1.340
   75    78   317.000  1.510
   76    77   340.000  1.080
   76    81   317.000  1.510
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    85   320.000  1.410
   85    86   553.000  0.945
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    42    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    37.50000  110.70000
   33    42    43    37.50000  110.70000
   33    42    44    63.00000  111.10000
   33    42    46    58.35000  112.70000
   38    33    34    37.50000  110.70000
   40    38    39    33.00000  107.80000
   41    38    39    33.00000  107.80000
   41    38    40    33.00000  107.80000
   42    33    34    37.50000  110.70000
   42    33    38    58.35000  112.70000
   42    44    45    80.00000  120.40000
   42    44    50    81.00000  111.40000
   42    46    47    37.50000  110.70000
   42    46    48    37.50000  110.70000
   42    46    49    37.50000  110.70000
   44    42    43    35.00000  109.50000
   44    50    51    83.00000  116.90000
   50    44    45    83.00000  123.40000
   50    51    52    35.00000  109.50000
   50    51    53    50.00000  109.50000
   50    51    67    50.00000  109.50000
   51    53    54    37.50000  110.70000
   51    53    55    37.50000  110.70000
   51    53    56    58.35000  112.70000
   51    67    59    80.00000  111.20000
   51    67    66    70.00000  112.02700
   51    67    68    37.50000  110.70000
   53    51    52    37.50000  110.70000
   53    56    57    37.50000  110.70000
   53    56    58    37.50000  110.70000
   53    56    59    80.00000  111.20000
   55    53    54    33.00000  107.80000
   56    53    54    37.50000  110.70000
   56    53    55    37.50000  110.70000
   56    59    60    35.00000  109.50000
   56    59    61    75.00000  113.01200
   56    59    67    75.00000  113.01200
   58    56    57    33.00000  107.80000
   59    56    57    35.00000  109.50000
   59    56    58    35.00000  109.50000
   59    61    62    35.00000  109.50000
   59    61    63    35.00000  109.50000
   59    61    64    75.00000  110.06800
   59    67    66    75.00000  110.06800
   59    67    68    35.00000  109.50000
   61    59    60    35.00000  109.50000
   61    64    65    35.00000  117.00000
   61    64    66    70.00000  124.00000
   63    61    62    33.00000  107.80000
   64    61    62    35.00000  109.50000
   64    61    63    35.00000  109.50000
   64    66    67    70.00000  124.00000
   64    66    69    70.00000  124.00000
   66    64    65    35.00000  120.00000
   66    67    68    35.00000  109.50000
   66    69    70    35.00000  109.50000
   66    69    71    35.00000  109.50000
   66    69    72    85.00000  110.90400
   67    51    52    37.50000  110.70000
   67    51    53    58.35000  112.70000
   67    59    60    35.00000  109.50000
   67    59    61    75.00000  113.01200
   69    66    67    65.00000  117.92700
   69    72    73    83.00000  116.90000
   71    69    70    33.00000  107.80000
   72    69    70    35.00000  109.50000
   72    69    71    35.00000  109.50000
   72    73    74    83.00000  123.40000
   72    73    75    90.00000  111.29400
   73    75    76    65.00000  118.96000
   73    75    78    65.00000  116.34900
   75    73    74    80.00000  123.72100
   75    76    77    35.00000  120.00000
   75    76    81    70.00000  124.00000
   75    78    79    35.00000  109.50000
   75    78    80    35.00000  109.50000
   75    78    85    90.00000  110.39200
   76    81    82    35.00000  109.50000
   76    81    83    35.00000  109.50000
   76    81    84    35.00000  109.50000
   81    76    77    35.00000  117.00000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   78    75    76    70.00000  124.00000
   78    85    86    55.00000  108.50000
   80    78    79    33.00000  107.80000
   85    78    79    35.00000  109.50000
   85    78    80    35.00000  109.50000
   46    42    43    37.50000  110.70000
   46    42    44    63.00000  111.10000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  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    42   0.01700  1.0 1.0
   24    29    33    42  -0.23550 -1.0 2.0
   24    29    33    42   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.15000  1.0 3.0
   29    33    42    43   0.15000  1.0 3.0
   29    33    42    44   0.56750  1.0 1.0
   29    33    42    44  -0.07550 -1.0 2.0
   29    33    42    44   0.20000  1.0 3.0
   29    33    42    46   0.44750  1.0 1.0
   29    33    42    46  -0.17800 -1.0 2.0
   29    33    42    46   0.20200  1.0 3.0
   33    42    44    45   0.30150 -1.0 2.0
   33    42    44    50   0.36750  1.0 3.0
   33    42    46    47   0.15000  1.0 3.0
   33    42    46    48   0.15000  1.0 3.0
   33    42    46    49   0.15000  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    41   0.15000  1.0 3.0
   34    33    42    43   0.15000  1.0 3.0
   34    33    42    44  -0.11250  1.0 3.0
   34    33    42    46   0.15000  1.0 3.0
   38    33    42    43   0.15000  1.0 3.0
   38    33    42    44  -0.95700  1.0 1.0
   38    33    42    44  -0.18200 -1.0 2.0
   38    33    42    44   0.29450  1.0 3.0
   38    33    42    46   0.56750  1.0 1.0
   38    33    42    46  -0.07550 -1.0 2.0
   38    33    42    46   0.20000  1.0 3.0
   42    33    38    39   0.15000  1.0 3.0
   42    33    38    40   0.15000  1.0 3.0
   42    33    38    41   0.15000  1.0 3.0
   42    44    50    51   1.63150  1.0 1.0
   42    44    50    51   2.92000 -1.0 2.0
   43    42    44    45   0.00000  1.0 1.0
   43    42    44    50   0.00000  1.0 1.0
   43    42    46    47   0.15000  1.0 3.0
   43    42    46    48   0.15000  1.0 3.0
   43    42    46    49   0.15000  1.0 3.0
   44    42    46    47  -0.11250  1.0 3.0
   44    42    46    48  -0.11250  1.0 3.0
   44    42    46    49  -0.11250  1.0 3.0
   44    50    51    52   0.08050  1.0 3.0
   44    50    51    53  -0.25900  1.0 1.0
   44    50    51    53  -0.47000 -1.0 2.0
   44    50    51    53   0.11750  1.0 3.0
   44    50    51    67  -0.25900  1.0 1.0
   44    50    51    67  -0.47000 -1.0 2.0
   44    50    51    67   0.11750  1.0 3.0
   45    44    50    51   3.00000 -1.0 2.0
   50    51    53    54   0.23400  1.0 3.0
   50    51    53    55   0.23400  1.0 3.0
   50    51    53    56   0.62750  1.0 1.0
   50    51    53    56  -0.30950 -1.0 2.0
   50    51    53    56   0.27300  1.0 3.0
   50    51    67    59   1.69300  1.0 1.0
   50    51    67    59  -0.48450 -1.0 2.0
   50    51    67    66   0.61850  1.0 1.0
   50    51    67    66  -0.22750 -1.0 2.0
   50    51    67    66   0.15300  1.0 3.0
   50    51    67    68   0.23400  1.0 3.0
   51    53    56    57   0.15000  1.0 3.0
   51    53    56    58   0.15000  1.0 3.0
   51    53   -56    59   1.36600  1.0 1.0
   51    53   -56    59  -0.11450 -1.0 2.0
   51    53   -56    59   0.24250  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    55   0.15000  1.0 3.0
   52    51    53    56   0.15000  1.0 3.0
   52    51    67    59   0.19200  1.0 3.0
   52    51    67    66   0.15000  1.0 3.0
   52    51    67    68   0.15000  1.0 3.0
   53    51   -67    59   1.36600  1.0 1.0
   53    51   -67    59  -0.11450 -1.0 2.0
   53    51   -67    59   0.24250  1.0 3.0
   53    51    67    66   0.34400  1.0 1.0
   53    51    67    66   0.09450 -1.0 2.0
   53    51    67    66   0.11100  1.0 3.0
   53    51    67    68   0.15000  1.0 3.0
   53    56    59    60   0.17350  1.0 3.0
   53    56    59    61   0.47100  1.0 1.0
   53    56   -59    67   0.47100  1.0 1.0
   54    53    56    57   0.15000  1.0 3.0
   54    53    56    58   0.15000  1.0 3.0
   54    53    56    59   0.19200  1.0 3.0
   55    53    56    57   0.15000  1.0 3.0
   55    53    56    58   0.15000  1.0 3.0
   55    53    56    59   0.19200  1.0 3.0
   56    59    61    62   0.15000  1.0 3.0
   56    59    61    63   0.15000  1.0 3.0
   56    59    61    64   0.08000 -1.0 2.0
   56    59   -67    51   0.47100  1.0 1.0
   56    59    67    66   0.08000 -1.0 2.0
   56    59    67    68   0.15000  1.0 3.0
   57    56    59    60   0.13050  1.0 3.0
   57    56    59    61   0.15000  1.0 3.0
   57    56    59    67   0.15000  1.0 3.0
   58    56    59    60   0.13050  1.0 3.0
   58    56    59    61   0.15000  1.0 3.0
   58    56    59    67   0.15000  1.0 3.0
   59    61    64    65   0.00000  1.0 1.0
   59    61   -64    66   0.80850  1.0 1.0
   59    61   -64    66  -0.47300 -1.0 2.0
   59    61   -64    66  -0.52300  1.0 3.0
   60    59    61    62   0.13050  1.0 3.0
   60    59    61    63   0.13050  1.0 3.0
   60    59    61    64   0.17350  1.0 3.0
   60    59    67    51   0.17350  1.0 3.0
   60    59    67    66   0.17350  1.0 3.0
   60    59    67    68   0.13050  1.0 3.0
   61    59    67    51   0.47100  1.0 1.0
   61    59   -67    66   0.08000 -1.0 2.0
   61    59    67    68   0.15000  1.0 3.0
   61    64   -66    67   7.00000 -1.0 2.0
   61    64    66    69   7.00000 -1.0 2.0
   62    61    64    65   0.33100  1.0 3.0
   62    61    64    66   0.00000  1.0 1.0
   63    61    64    65   0.33100  1.0 3.0
   63    61    64    66   0.00000  1.0 1.0
   64    66    67    51   0.09850  1.0 1.0
   64    66    67    51   0.15250 -1.0 2.0
   64    66    67    51  -0.50650  1.0 3.0
   64    66   -67    59   0.80850  1.0 1.0
   64    66   -67    59  -0.47300 -1.0 2.0
   64    66   -67    59  -0.52300  1.0 3.0
   64    66    67    68   0.00000  1.0 1.0
   64    66    69    70   0.00000  1.0 1.0
   64    66    69    71   0.00000  1.0 1.0
   64    66    69    72   0.39000  1.0 1.0
   64    66    69    72  -0.05800 -1.0 2.0
   64    66    69    72  -0.55150  1.0 3.0
   65    64    66    67   7.00000 -1.0 2.0
   65    64    66    69   7.00000 -1.0 2.0
   66    69    72    73  -0.82050  1.0 1.0
   66    69    72    73   0.00600 -1.0 2.0
   66    69    72    73   0.04400  1.0 3.0
   67    51    53    54   0.15000  1.0 3.0
   67    51    53    55   0.15000  1.0 3.0
   67    51   -53    56   0.56750  1.0 1.0
   67    51   -53    56  -0.07550 -1.0 2.0
   67    51   -53    56   0.20000  1.0 3.0
   67    59    61    62   0.15000  1.0 3.0
   67    59    61    63   0.15000  1.0 3.0
   67    59   -61    64   0.08000 -1.0 2.0
   67    66    69    70   0.34800  1.0 3.0
   67    66    69    71   0.34800  1.0 3.0
   67    66    69    72   0.09700  1.0 1.0
   67    66    69    72   0.15600 -1.0 2.0
   67    66    69    72  -0.50800  1.0 3.0
   69    66    67    51   0.46850  1.0 1.0
   69    66    67    51   0.08550 -1.0 2.0
   69    66    67    51   0.09800  1.0 3.0
   69    66    67    59   0.52100  1.0 1.0
   69    66    67    59  -0.20350 -1.0 2.0
   69    66    67    59   0.29750  1.0 3.0
   69    66    67    68   0.34800  1.0 3.0
   69    72    73    74   3.00000 -1.0 2.0
   69    72    73    75   2.00000 -1.0 2.0
   70    69    72    73   0.08050  1.0 3.0
   71    69    72    73   0.08050  1.0 3.0
   72    73    75    76  -0.56150  1.0 1.0
   72    73    75    76   2.19150 -1.0 2.0
   72    73    75    78  -0.15000  1.0 1.0
   72    73    75    78   0.89550 -1.0 2.0
   72    73    75    78  -0.06900  1.0 3.0
   73    75    76    77   7.00000 -1.0 2.0
   73    75    76    81   7.00000 -1.0 2.0
   73    75    78    79   0.15000  1.0 3.0
   73    75    78    80   0.15000  1.0 3.0
   73    75    78    85   0.09700  1.0 1.0
   73    75    78    85   0.15600 -1.0 2.0
   73    75    78    85  -0.50800  1.0 3.0
   74    73    75    76   1.00000 -1.0 2.0
   74    73    75    78  -0.64400  1.0 1.0
   74    73    75    78   0.26850 -1.0 2.0
   75    76    81    82   0.00000  1.0 1.0
   75    76    81    83   0.00000  1.0 1.0
   75    76    81    84   0.00000  1.0 1.0
   75    78    85    86  -0.07800  1.0 1.0
   75    78    85    86  -0.21500 -1.0 2.0
   75    78    85    86  -0.03150  1.0 3.0
   76    75    78    79   0.00000  1.0 1.0
   76    75    78    80   0.00000  1.0 1.0
   76    75    78    85   0.67800  1.0 1.0
   76    75    78    85   0.47050 -1.0 2.0
   76    75    78    85  -0.62500  1.0 3.0
   77    76    81    82   0.33100  1.0 3.0
   77    76    81    83   0.33100  1.0 3.0
   77    76    81    84   0.33100  1.0 3.0
   78    75    76    77   7.00000 -1.0 2.0
   78    75    76    81   7.00000 -1.0 2.0
   79    78    85    86   0.19450  1.0 3.0
   80    78    85    86   0.19450  1.0 3.0
   46    42    44    45   0.30150 -1.0 2.0
   46    42    44    50   0.36750  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
   36    30    35    37  10.50000 -1.0 2.0
   42    50    44    45  10.50000 -1.0 2.0
   61    65    64    66   1.10000 -1.0 2.0
   67    69    66    64   1.10000 -1.0 2.0
   72    75    73    74  10.50000 -1.0 2.0
   73    78    75    76  15.00000 -1.0 2.0
   81    77    76    75  15.00000 -1.0 2.0
END
