* LIGAND DATABASE FILE (OPLS2005)
*
001      83    84    151    228     443
    1     0 S   NP   _N1_     1    28.52076    95.15850   -22.37004
    2     1 S   H    _HN1     2     1.02960    82.84609    21.43965
    3     1 S   H    _H1_     3     1.02836    32.20908   160.32362
    4     1 S   H    _H2_     4     1.02778    96.59403   -86.29045
    5     1 S   CT   _CA1     5     1.50120   141.02642   135.21116
    6     5 S   HC   _HA1     6     1.09576   105.22443    73.13710
    7     5 S   CO3  _C1_     7     1.53776   112.40150   -47.05475
    8     7 S   O2Z  _O11     8     1.26357   115.00192   -43.70287
    9     7 S   O2Z  _O12     9     1.26239   114.91746   135.46669
   10     5 S   CT   _CB1    10     1.53095   107.42835  -168.97122
   11    10 S   HC   HB11    11     1.09826   109.29453   -50.96352
   12    10 S   HC   HB12    12     1.09818   110.42894    65.57311
   13    10 S   CT   _CG1    13     1.53016   112.69317  -172.07283
   14    13 S   HC   HG11    14     1.09595   110.45620   -64.48029
   15    13 S   HC   HG12    15     1.09656   109.96050    54.74054
   16    13 S   C    _CD1    16     1.51825   112.32612   175.06640
   17    16 S   O    _OE1    17     1.22719   123.26088    -1.14295
   18    16 S   N    _N2_    18     1.38637   111.64793   179.12374
   19    18 S   H    _HN2    19     1.01581   119.00726     1.28694
   20    18 S   CT1  _CA2    20     1.46157   123.37877   179.27476
   21    20 S   HC   _HA2    21     1.09718   109.47798    -4.14099
   22    20 S   C    _C2_    22     1.53526   108.37068  -119.93053
   23    22 S   O    _O2_    23     1.23041   122.19815  -145.14547
   24    20 S   CT   _CB2    32     1.53299   111.64418   117.99591
   25    24 S   HC   HB21    33     1.09561   109.82013    56.85557
   26    24 S   HC   HB22    34     1.09406   109.87019   175.62628
   27    22 S   N    _N3_    24     1.38471   113.53868    42.05184
   28    27 S   H    _HN3    25     1.01501   118.99278    -0.31837
   29    24 S   S    _SG2    35     1.82762   112.30240   -63.95742
   30    27 S   CT   _CA3    26     1.45443   123.40581   175.46421
   31    30 S   HC   HA31    27     1.09525   109.26228    24.54207
   32    30 S   HC   HA32    28     1.09498   107.13249   141.52138
   33    29 S   CT   _C22    36     1.83061    99.15547   175.34768
   34    33 S   HC   _H3_    37     1.09591   106.98836  -160.79187
   35    33 S   HC   _H4_    38     1.09041   106.10129   -46.85231
   36    30 S   CO3  _C3_    29     1.52900   113.01527   -98.95988
   37    36 S   O2Z  _O31    30     1.26407   115.33369   -46.87810
   38    36 S   O2Z  _O32    31     1.26345   115.02469   134.03046
   39    33 S   CT   _C15    39     1.53647   112.90990    77.22463
   40    39 S   HC   _H34    40     1.09508   112.29807   -44.15464
   41    39 S   CO4  _C9_    41     1.50473   108.36873    76.97765
   42    41 S   O    _O21    42     1.22106   125.93757   -80.89146
   43    41 S   OS   _O23    43     1.36068   109.69246    95.36642
   44    43 S   CT   _C17    44     1.44227   111.12562    14.45418
   45    44 S   HC   _H36    45     1.09409   107.04560  -111.88314
   46    44 S   CT   _C14    46     1.54800   107.57267   128.04633
   47    46 S   HC   _H33    47     1.08376   109.51838  -145.72749
   48    39 S   CT   _C16    61     1.54801   116.48655  -169.79471
   49    48 S   HC   _H35    62     1.10067   105.95430   157.88065
   50    46 S   CM   _C7_    48     1.52513   112.57827    90.53720
   51    46 S   OH   _O24    82     1.43286   110.36296   -33.48644
   52    51 S   HO   _H49    83     0.97264   107.60528   178.35813
   53    50 S   CM   _C5_    49     1.35248   126.71164   102.22327
   54    53 S   HC   _H28    50     1.09051   117.78082   178.65230
   55    50 S   CT   _C20    78     1.51357   115.02579   -77.34168
   56    55 S   HC   _H41    79     1.09451   110.74136   -61.61044
   57    55 S   HC   _H42    80     1.09550   112.42978   178.58114
   58    55 S   HC   _H43    81     1.09419   110.56188    58.97292
   59    53 S   CO4  _C8_    51     1.49888   131.56840    -1.93836
   60    59 S   O    _O20    52     1.22603   121.20485   171.70575
   61    59 S   CM   _C4_    53     1.47190   117.68223    -7.42661
   62    61 S   HC   _H27    54     1.08561   115.38842    90.45946
   63    61 S   CM   _C6_    55     1.34480   121.12159   -77.08813
   64    63 S   CT   _C13    56     1.51123   118.88999   161.20546
   65    64 S   HC   _H31    57     1.09851   111.27298     1.56723
   66    64 S   HC   _H32    58     1.09820   107.61010   115.43069
   67    63 S   CT   _C19    74     1.50571   124.21937   -18.12287
   68    67 S   HC   _H38    75     1.09234   111.60808   110.36080
   69    67 S   HC   _H39    76     1.09421   112.67268   -10.94954
   70    67 S   HC   _H40    77     1.09546   109.74982  -129.70373
   71    64 S   CT   _C18    59     1.54636   115.50105  -122.26762
   72    71 S   HC   _H37    60     1.09560   108.57581   -54.82374
   73    71 S   OS   _O25    63     1.45737   106.47451  -172.30772
   74    73 S   CO4  _C12    64     1.35949   118.31237    86.40999
   75    74 S   O    _O22    65     1.22207   125.95469    -1.20528
   76    74 S   CM   _C11    66     1.48913   109.36468   178.06265
   77    76 S   CM   _C10    67     1.34128   117.41498  -172.46641
   78    77 S   HC   _H29    68     1.08570   120.89427   179.76761
   79    77 S   HC   _H30    69     1.08527   122.50048     0.05595
   80    76 S   CT   _C21    70     1.49783   120.10160     7.43883
   81    80 S   HC   _H44    71     1.09472   110.72329   -61.44769
   82    80 S   HC   _H45    72     1.09498   110.48352    58.99532
   83    80 S   HC   _H46    73     1.09534   111.89267   178.70820
  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   7   5   4   3
  11   5   4   2   1   1  13   7   8   3   9  14   7  14   6  11
   4  11   3   1  10   4   4   2   1   1   6   3  10   3  10  10
   5   4   4   2   1   1   5   2   5   9   3   7   6   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    71    48    49  
   35    39    40    41    48  
   39    40    41    48  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    64    71    72    48    49    73  
   41    42    43    44    71    48    49  
   42    43    44    45    46    71    48    49  
   43    44    48  
   44    45    46    47    50    71    48    49    51  
   45    46    47    50    53    64    71    72    48    49    73    55    51    52  
   46    47    50    71    48    49    51  
   47    50    53    54    59    71    48    49    55    56    57    58    51    52  
   50    53    48    55    51    52  
   49    73    74    51    50    63    64    65    66    71    72  
   73    64    71    72  
   53    54    59    60    61    55    56    57    58    51    52  
   52    53    55  
    0  
   54    59    60    61    62    63    55    56    57    58  
   59    60    61    55  
   56    57    58    59  
   57    58  
   58  
    0  
   60    61    62    63    64    67  
   61    62    63  
   62    63    64    65    66    71    67    68    69    70  
   63    64    67  
   64    65    66    71    72    73    67    68    69    70  
   65    66    71    72    73    74    67    68    69    70  
   66    71    72    73    67  
   71    72    73    67  
   68    69    70    71  
   69    70  
   70  
    0  
   72    73    74    75    76  
   73    74  
   74    75    76    77    80  
   75    76    77    78    79    80    81    82    83  
   76    77    80  
   77    78    79    80    81    82    83  
   78    79    80    81    82    83  
   79    80  
   80  
   81    82    83  
   82    83  
   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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   52   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   53   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   73   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   75   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   76   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   77   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   78   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   79   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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
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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    48   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    48   268.000  1.529
   46    47   340.000  1.090
   46    50   317.000  1.510
   46    51   320.000  1.410
   50    53   549.000  1.340
   50    55   317.000  1.510
   53    54   340.000  1.080
   53    59   320.000  1.462
   59    60   570.000  1.229
   59    61   320.000  1.462
   61    62   340.000  1.080
   61    63   549.000  1.340
   63    64   317.000  1.510
   63    67   317.000  1.510
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    71   268.000  1.529
   71    72   340.000  1.090
   71    48   268.000  1.529
   71    73   320.000  1.410
   48    49   340.000  1.090
   73    74   214.000  1.327
   74    75   570.000  1.229
   74    76   320.000  1.462
   76    77   549.000  1.340
   76    80   317.000  1.510
   77    78   340.000  1.080
   77    79   340.000  1.080
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   51    52   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    48    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    48    44    58.35000  112.70000
   39    48    71    58.35000  112.70000
   39    48    49    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    50.00000  109.50000
   43    44    48    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    50    70.00000  112.02700
   44    46    51    50.00000  109.50000
   44    48    71    58.35000  112.70000
   44    48    49    37.50000  110.70000
   46    44    45    37.50000  110.70000
   46    50    53    70.00000  124.00000
   46    50    55    65.00000  117.92700
   46    51    52    55.00000  108.50000
   50    46    47    35.00000  109.50000
   50    53    54    35.00000  120.00000
   50    53    59    65.00000  118.96000
   50    55    56    35.00000  109.50000
   50    55    57    35.00000  109.50000
   50    55    58    35.00000  109.50000
   53    59    60    80.00000  123.72100
   53    59    61    65.00000  118.65900
   59    53    54    40.00000  117.72500
   59    61    62    40.00000  117.72500
   59    61    63    65.00000  118.96000
   61    59    60    80.00000  123.72100
   61    63    64    70.00000  124.00000
   61    63    67    70.00000  124.00000
   63    61    62    35.00000  120.00000
   63    64    65    35.00000  109.50000
   63    64    66    35.00000  109.50000
   63    64    71    70.00000  112.02700
   63    67    68    35.00000  109.50000
   63    67    69    35.00000  109.50000
   63    67    70    35.00000  109.50000
   64    71    72    37.50000  110.70000
   64    71    48    58.35000  112.70000
   64    71    73    50.00000  109.50000
   66    64    65    33.00000  107.80000
   71    64    65    37.50000  110.70000
   71    64    66    37.50000  110.70000
   71    48    49    37.50000  110.70000
   71    73    74    83.00000  116.90000
   48    39    40    37.50000  110.70000
   48    39    41    63.00000  111.10000
   48    44    45    37.50000  110.70000
   48    44    46    58.35000  112.70000
   48    71    72    37.50000  110.70000
   73    71    72    35.00000  109.50000
   73    71    48    50.00000  109.50000
   73    74    75    83.00000  123.40000
   73    74    76    90.00000  111.29400
   74    76    77    65.00000  118.96000
   74    76    80    65.00000  116.34900
   76    74    75    80.00000  123.72100
   76    77    78    35.00000  120.00000
   76    77    79    35.00000  120.00000
   76    80    81    35.00000  109.50000
   76    80    82    35.00000  109.50000
   76    80    83    35.00000  109.50000
   79    77    78    35.00000  117.00000
   80    76    77    70.00000  124.00000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   67    63    64    65.00000  117.92700
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   55    50    53    70.00000  124.00000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   51    46    47    35.00000  109.50000
   51    46    50    90.00000  110.39200
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    48   0.44750  1.0 1.0
   29    33    39    48  -0.17800 -1.0 2.0
   29    33    39    48   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    48    44   0.56750  1.0 1.0
   33    39    48    44  -0.07550 -1.0 2.0
   33    39    48    44   0.20000  1.0 3.0
   33    39    48    71   0.56750  1.0 1.0
   33    39    48    71  -0.07550 -1.0 2.0
   33    39    48    71   0.20000  1.0 3.0
   33    39    48    49   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    48   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    48   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    48    44   0.15000  1.0 3.0
   40    39    48    71   0.15000  1.0 3.0
   40    39    48    49   0.15000  1.0 3.0
   41    39   -48    44  -0.95700  1.0 1.0
   41    39   -48    44  -0.18200 -1.0 2.0
   41    39   -48    44   0.29450  1.0 3.0
   41    39    48    71  -0.95700  1.0 1.0
   41    39    48    71  -0.18200 -1.0 2.0
   41    39    48    71   0.29450  1.0 3.0
   41    39    48    49  -0.11250  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43    44    46  -0.25900  1.0 1.0
   41    43    44    46  -0.47000 -1.0 2.0
   41    43    44    46   0.11750  1.0 3.0
   41    43   -44    48  -0.25900  1.0 1.0
   41    43   -44    48  -0.47000 -1.0 2.0
   41    43   -44    48   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44    46    47   0.23400  1.0 3.0
   43    44    46    50   0.61850  1.0 1.0
   43    44    46    50  -0.22750 -1.0 2.0
   43    44    46    50   0.15300  1.0 3.0
   43    44    46    51   3.69350  1.0 1.0
   43    44    46    51  -1.82950 -1.0 2.0
   43    44   -48    39   0.62750  1.0 1.0
   43    44   -48    39  -0.30950 -1.0 2.0
   43    44   -48    39   0.27300  1.0 3.0
   43    44    48    71   0.62750  1.0 1.0
   43    44    48    71  -0.30950 -1.0 2.0
   43    44    48    71   0.27300  1.0 3.0
   43    44    48    49   0.23400  1.0 3.0
   44    46    50    53   0.09850  1.0 1.0
   44    46    50    53   0.15250 -1.0 2.0
   44    46    50    53  -0.50650  1.0 3.0
   44    46    50    55   0.46850  1.0 1.0
   44    46    50    55   0.08550 -1.0 2.0
   44    46    50    55   0.09800  1.0 3.0
   44    46    51    52  -0.11600  1.0 1.0
   44    46    51    52  -0.09450 -1.0 2.0
   44    46    51    52   0.21250  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    50   0.15000  1.0 3.0
   45    44    46    51   0.23400  1.0 3.0
   45    44    48    39   0.15000  1.0 3.0
   45    44    48    71   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   46    44    48    39   0.56750  1.0 1.0
   46    44    48    39  -0.07550 -1.0 2.0
   46    44    48    39   0.20000  1.0 3.0
   46    44    48    71   0.56750  1.0 1.0
   46    44    48    71  -0.07550 -1.0 2.0
   46    44    48    71   0.20000  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    50    53    54   7.00000 -1.0 2.0
   46    50    53    59   7.00000 -1.0 2.0
   46    50    55    56   0.34800  1.0 3.0
   46    50    55    57   0.34800  1.0 3.0
   46    50    55    58   0.34800  1.0 3.0
   47    46    50    53   0.00000  1.0 1.0
   47    46    50    55   0.34800  1.0 3.0
   47    46    51    52   0.19450  1.0 3.0
   50    46    51    52  -0.07800  1.0 1.0
   50    46    51    52  -0.21500 -1.0 2.0
   50    46    51    52  -0.03150  1.0 3.0
   50    53    59    60   1.00000 -1.0 2.0
   50    53    59    61  -1.18350  1.0 1.0
   50    53    59    61   1.45950 -1.0 2.0
   53    50    55    56   0.00000  1.0 1.0
   53    50    55    57   0.00000  1.0 1.0
   53    50    55    58   0.00000  1.0 1.0
   53    59    61    62   0.93700 -1.0 2.0
   53    59    61    63  -1.18350  1.0 1.0
   53    59    61    63   1.45950 -1.0 2.0
   54    53    59    60   0.00000  1.0 1.0
   54    53    59    61   0.93700 -1.0 2.0
   59    61    63    64   7.00000 -1.0 2.0
   59    61    63    67   7.00000 -1.0 2.0
   60    59    61    62   0.00000  1.0 1.0
   60    59    61    63   1.00000 -1.0 2.0
   61    63    64    65   0.00000  1.0 1.0
   61    63    64    66   0.00000  1.0 1.0
   61    63    64    71   0.09850  1.0 1.0
   61    63    64    71   0.15250 -1.0 2.0
   61    63    64    71  -0.50650  1.0 3.0
   61    63    67    68   0.00000  1.0 1.0
   61    63    67    69   0.00000  1.0 1.0
   61    63    67    70   0.00000  1.0 1.0
   62    61    63    64   7.00000 -1.0 2.0
   62    61    63    67   7.00000 -1.0 2.0
   63    64    71    72   0.15000  1.0 3.0
   63    64    71    48   0.34400  1.0 1.0
   63    64    71    48   0.09450 -1.0 2.0
   63    64    71    48   0.11100  1.0 3.0
   63    64    71    73   0.61850  1.0 1.0
   63    64    71    73  -0.22750 -1.0 2.0
   63    64    71    73   0.15300  1.0 3.0
   64    63    67    68   0.34800  1.0 3.0
   64    63    67    69   0.34800  1.0 3.0
   64    63    67    70   0.34800  1.0 3.0
   64    71    48    39   0.56750  1.0 1.0
   64    71    48    39  -0.07550 -1.0 2.0
   64    71    48    39   0.20000  1.0 3.0
   64    71    48    44   0.56750  1.0 1.0
   64    71    48    44  -0.07550 -1.0 2.0
   64    71    48    44   0.20000  1.0 3.0
   64    71    48    49   0.15000  1.0 3.0
   64    71    73    74  -0.25900  1.0 1.0
   64    71    73    74  -0.47000 -1.0 2.0
   64    71    73    74   0.11750  1.0 3.0
   65    64    71    72   0.15000  1.0 3.0
   65    64    71    48   0.15000  1.0 3.0
   65    64    71    73   0.23400  1.0 3.0
   66    64    71    72   0.15000  1.0 3.0
   66    64    71    48   0.15000  1.0 3.0
   66    64    71    73   0.23400  1.0 3.0
   71    73    74    75   3.00000 -1.0 2.0
   71    73    74    76   2.00000 -1.0 2.0
   72    71    48    39   0.15000  1.0 3.0
   72    71    48    44   0.15000  1.0 3.0
   72    71    48    49   0.15000  1.0 3.0
   72    71    73    74   0.08050  1.0 3.0
   48    39    41    42   0.30150 -1.0 2.0
   48    39   -41    43   0.36750  1.0 3.0
   48    44    46    47   0.15000  1.0 3.0
   48    44    46    50   0.34400  1.0 1.0
   48    44    46    50   0.09450 -1.0 2.0
   48    44    46    50   0.11100  1.0 3.0
   48    44    46    51   0.86500  1.0 1.0
   48    44    46    51  -0.17500 -1.0 2.0
   48    44    46    51   0.20800  1.0 3.0
   48    71    73    74  -0.25900  1.0 1.0
   48    71    73    74  -0.47000 -1.0 2.0
   48    71    73    74   0.11750  1.0 3.0
   73    71    48    39   0.62750  1.0 1.0
   73    71    48    39  -0.30950 -1.0 2.0
   73    71    48    39   0.27300  1.0 3.0
   73    71    48    44   0.62750  1.0 1.0
   73    71    48    44  -0.30950 -1.0 2.0
   73    71    48    44   0.27300  1.0 3.0
   73    71    48    49   0.23400  1.0 3.0
   73    74    76    77  -0.56150  1.0 1.0
   73    74    76    77   2.19150 -1.0 2.0
   73    74    76    80  -0.15000  1.0 1.0
   73    74    76    80   0.89550 -1.0 2.0
   73    74    76    80  -0.06900  1.0 3.0
   74    76    77    78   7.00000 -1.0 2.0
   74    76    77    79   7.00000 -1.0 2.0
   74    76    80    81   0.15000  1.0 3.0
   74    76    80    82   0.15000  1.0 3.0
   74    76    80    83   0.15000  1.0 3.0
   75    74    76    77   1.00000 -1.0 2.0
   75    74    76    80  -0.64400  1.0 1.0
   75    74    76    80   0.26850 -1.0 2.0
   77    76    80    81   0.00000  1.0 1.0
   77    76    80    82   0.00000  1.0 1.0
   77    76    80    83   0.00000  1.0 1.0
   80    76    77    78   7.00000 -1.0 2.0
   80    76    77    79   7.00000 -1.0 2.0
   67    63    64    65   0.34800  1.0 3.0
   67    63    64    66   0.34800  1.0 3.0
   67    63    64    71   0.46850  1.0 1.0
   67    63    64    71   0.08550 -1.0 2.0
   67    63    64    71   0.09800  1.0 3.0
   55    50    53    54   7.00000 -1.0 2.0
   55    50    53    59   7.00000 -1.0 2.0
   51    46    50    53   0.67800  1.0 1.0
   51    46    50    53   0.47050 -1.0 2.0
   51    46    50    53  -0.62500  1.0 3.0
   51    46    50    55   0.18000  1.0 1.0
   51    46    50    55   0.16450 -1.0 2.0
   51    46    50    55   0.04450  1.0 3.0
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
   38    30    36    37  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   46    55    50    53   1.10000 -1.0 2.0
   59    54    53    50   1.10000 -1.0 2.0
   53    61    59    60  10.50000 -1.0 2.0
   59    62    61    63   1.10000 -1.0 2.0
   64    67    63    61   1.10000 -1.0 2.0
   73    76    74    75  10.50000 -1.0 2.0
   74    80    76    77  15.00000 -1.0 2.0
   78    79    77    76  15.00000 -1.0 2.0
END
