* LIGAND DATABASE FILE (OPLS2005)
*
001      84    86    156    244     467
    1     0 S   NP   _N1_     1    28.84017    94.24165   -22.30574
    2     1 S   H    _HN1     2     1.02785    99.16413  -107.61269
    3     1 S   H    _H1_     3     1.02949    85.77485     0.33043
    4     1 S   H    _H2_     4     1.02828    27.64080   141.14557
    5     1 S   CT   _CA1     5     1.50123   136.50136   115.80212
    6     5 S   HC   _HA1     6     1.09569   105.18891    71.42379
    7     5 S   CO3  _C1_     7     1.53761   112.48187   -48.81828
    8     7 S   O2Z  _O11     8     1.26380   114.98493   -41.27923
    9     7 S   O2Z  _O12     9     1.26233   114.99324   137.87233
   10     5 S   CT   _CB1    10     1.53091   107.42743  -170.53677
   11    10 S   HC   HB11    11     1.09833   109.38172   -49.15294
   12    10 S   HC   HB12    12     1.09812   110.44382    67.46848
   13    10 S   CT   _CG1    13     1.52995   112.62118  -170.10743
   14    13 S   HC   HG11    14     1.09595   110.64986   -66.23795
   15    13 S   HC   HG12    15     1.09670   109.75756    52.98482
   16    13 S   C    _CD1    16     1.51836   112.20226   173.49193
   17    16 S   O    _OE1    17     1.22726   123.27442     9.07487
   18    16 S   N    _N2_    18     1.38616   111.66079  -171.33682
   19    18 S   H    _HN2    19     1.01588   118.89261     1.98426
   20    18 S   CT1  _CA2    20     1.46291   123.49844   178.03278
   21    20 S   HC   _HA2    21     1.09731   109.44957    -1.53315
   22    20 S   C    _C2_    22     1.53475   108.48308  -117.03523
   23    22 S   O    _O2_    23     1.23041   122.32112  -148.12478
   24    20 S   CT   _CB2    32     1.53266   111.24691   120.62383
   25    24 S   HC   HB21    33     1.09560   109.65607    54.34082
   26    24 S   HC   HB22    34     1.09498   110.81783   173.52885
   27    22 S   N    _N3_    24     1.38340   113.58898    39.34566
   28    27 S   H    _HN3    25     1.01607   119.53513    -3.45746
   29    24 S   S    _SG2    35     1.82796   111.23109   -66.87141
   30    27 S   CT   _CA3    26     1.45285   123.21826   177.07638
   31    30 S   HC   HA31    27     1.09549   107.50865   -64.51153
   32    30 S   HC   HA32    28     1.09556   107.98651    51.92698
   33    29 S   CT   _C19    36     1.85744    99.92945   166.59671
   34    33 S   HC   _H3_    37     1.09920   104.33998     4.36269
   35    30 S   CO3  _C3_    29     1.52960   114.07173   173.91018
   36    35 S   O2Z  _O31    30     1.26380   116.05110    -1.12379
   37    35 S   O2Z  _O32    31     1.26427   114.41647   178.94687
   38    33 S   CT   _C14    38     1.54638   108.22304   113.92561
   39    38 S   HC   _H37    39     1.10018   108.58997   -47.78082
   40    38 S   HC   _H38    40     1.09660   107.89824  -158.82716
   41    33 S   CT   _C21    63     1.59131   113.00242  -109.33036
   42    38 S   CT   _C12    41     1.53632   119.80067    75.49562
   43    42 S   HC   _H33    42     1.09660   109.08959   -65.64416
   44    42 S   HC   _H34    43     1.09744   108.39888   179.23179
   45    41 S   CO   _C20    64     1.56644   111.68153  -173.16706
   46    45 S   HC   _H45    65     1.09652   110.29071   -28.76660
   47    41 S   OH   _O25    72     1.46203   102.57281    75.39913
   48    47 S   HO   _H50    73     0.97229   107.99622   -61.15115
   49    42 S   CM   _C5_    44     1.50343   113.65618    58.91415
   50    45 S   OS   _O23    66     1.41763   115.47448    97.27389
   51    45 S   OH   _O24    70     1.43483   108.89593  -144.04395
   52    51 S   HO   _H49    71     0.97138   106.85277   154.89738
   53    49 S   CM   _C4_    45     1.34950   120.62034  -127.48047
   54    53 S   HC   _H28    46     1.08854   119.22681    -6.49087
   55    49 S   CT   _C13    67     1.50303   116.20457    46.12123
   56    55 S   HC   _H35    68     1.09398   114.18109    13.98265
   57    55 S   HC   _H36    69     1.09691   108.57915   130.57002
   58    53 S   CT   _C16    47     1.50083   123.95349   161.93919
   59    58 S   HC   _H41    48     1.09631   111.54777    20.35473
   60    58 S   CT   _C17    49     1.53301   113.01567  -105.77872
   61    60 S   HC   _H42    50     1.10202   109.98657   -52.11088
   62    60 S   CM   _C6_    51     1.49961    96.46811  -160.74297
   63    60 S   CT   _C18    58     1.55671   116.56334    70.64003
   64    63 S   HC   _H43    59     1.09212   110.28846    58.54507
   65    62 S   CO4  _C7_    52     1.48722   106.89073    33.54825
   66    65 S   O    _O20    53     1.21707   127.26620   163.41973
   67    62 S   CM   _C8_    55     1.33516   132.32654  -143.19241
   68    67 S   HC   _H29    56     1.08280   121.94315    -1.42120
   69    67 S   HC   _H30    57     1.08568   121.40402   178.24275
   70    63 S   CT   _C15    60     1.55754   111.76564   -69.72488
   71    70 S   HC   _H39    61     1.10034   106.86370  -113.80539
   72    70 S   HC   _H40    62     1.09032   108.44524    -3.80658
   73    63 S   OS   _O26    74     1.45897   105.31191   175.94445
   74    58 S   OS   _O22    54     1.43694   110.46278   137.64333
   75    73 S   CO4  _C11    75     1.35878   118.37083  -155.51883
   76    75 S   O    _O21    76     1.22131   126.16774     2.85362
   77    75 S   CM   _C10    77     1.48950   109.26091  -176.79448
   78    77 S   CM   _C9_    78     1.34129   117.44967   175.10871
   79    78 S   HC   _H31    79     1.08570   120.85087  -179.50981
   80    78 S   HC   _H32    80     1.08518   122.50390     0.02798
   81    77 S   CT   _C22    81     1.49786   120.08825    -4.62652
   82    81 S   HC   _H46    82     1.09485   110.54203   -60.08385
   83    81 S   HC   _H47    83     1.09479   110.59846    60.32688
   84    81 S   HC   _H48    84     1.09526   111.91441  -179.77100
  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
  19   8   2   1   1  12   6   5  16  10   4   3  14   6   7   1
  10   7   3   1  12   5   3   1   1  12   6  15   8  10  11   5
   5   2   3   1   1   4   2   1   5   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    70    41    45    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    43    44    49    63    70    71    72    41    45    46    50    51    47    48  
   38    39    40    42    70    41    45    47  
   36    37  
   37  
    0  
   39    40    42    43    44    49    53    70    41    45    55    47  
   40    42    43    44    49    41  
   42    43    44    49    41  
   45    46    50    55    51    52    47    48    73    42    60    63    64    70    71    72  
   43    44    49    53    54    58    50    55    56    57  
   44    49    53    55  
   49    53    55  
   46    50    55    56    57    51    52    47    48    49    63    70    71    72  
   50    55    51    52    47    70  
   48    50    51    63    70    71    72  
   70  
   53    54    58    59    60    74    50    55    56    57  
   55    56    57    51    52    53    70  
   52    55    70  
    0  
   54    58    59    60    61    62    65    74    63    55    56    57  
   58    59    60    74    55  
   56    57    58  
   57  
    0  
   59    60    61    62    65    66    74    67    63    64    70    73  
   60    61    62    65    74    63  
   61    62    65    66    74    67    68    69    63    64    70    71    72    73    75  
   62    65    74    67    63    64    70    73  
   65    66    74    67    68    69    63    64    70    73  
   64    70    71    72    73    75    76    77    65    67    74  
   70    71    72    73    75  
   66    74    67    68    69  
   74    67  
   68    69    74  
   69  
    0  
   71    72    73    75  
   72    73  
   73  
   75    76    77    78    81  
    0  
   76    77    78    79    80    81    82    83    84  
   77    78    81  
   78    79    80    81    82    83    84  
   79    80    81    82    83    84  
   80    81  
   81  
   82    83    84  
   83    84  
   84  
    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  -0.120000   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   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5000   0.0660   0.264700   1.9750   1.7500   0.005000000  -0.741685710
   46   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   47   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   48   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   49   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   51   3.1200   0.1700  -0.582700   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  -0.184000   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   0.209000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   60   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   65   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   67   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   78   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   79   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   80   2.4200   0.0300   0.115000   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
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    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    42   268.000  1.529
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    49   317.000  1.510
   49    53   549.000  1.340
   49    55   317.000  1.510
   53    54   340.000  1.080
   53    58   317.000  1.510
   58    59   340.000  1.090
   58    60   268.000  1.529
   58    74   320.000  1.410
   60    61   340.000  1.090
   60    62   317.000  1.510
   60    63   268.000  1.529
   62    65   320.000  1.462
   62    67   549.000  1.340
   65    66   570.000  1.229
   65    74   214.000  1.327
   67    68   340.000  1.080
   67    69   340.000  1.080
   63    64   340.000  1.090
   63    70   268.000  1.529
   63    73   320.000  1.410
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    41   268.000  1.529
   41    45   250.000  1.527
   41    47   320.000  1.410
   45    46   340.000  1.090
   45    50   320.000  1.380
   45    51   380.000  1.407
   50    55   320.000  1.410
   55    56   340.000  1.090
   55    57   340.000  1.090
   51    52   553.000  0.945
   47    48   553.000  0.945
   73    75   214.000  1.327
   75    76   570.000  1.229
   75    77   320.000  1.462
   77    78   549.000  1.340
   77    81   317.000  1.510
   78    79   340.000  1.080
   78    80   340.000  1.080
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   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    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    42    58.35000  112.70000
   33    41    70    58.35000  112.70000
   33    41    45    75.00000  109.43000
   33    41    47    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    42    43    37.50000  110.70000
   38    42    44    37.50000  110.70000
   38    42    49    70.00000  112.02700
   40    38    39    33.00000  107.80000
   42    38    39    37.50000  110.70000
   42    38    40    37.50000  110.70000
   42    49    53    70.00000  124.00000
   42    49    55    65.00000  117.92700
   44    42    43    33.00000  107.80000
   49    42    43    35.00000  109.50000
   49    42    44    35.00000  109.50000
   49    53    54    35.00000  120.00000
   49    53    58    70.00000  124.00000
   49    55    50    85.00000  110.90400
   49    55    56    35.00000  109.50000
   49    55    57    35.00000  109.50000
   53    58    59    35.00000  109.50000
   53    58    60    70.00000  112.02700
   53    58    74    85.00000  110.90400
   58    53    54    35.00000  117.00000
   58    60    61    37.50000  110.70000
   58    60    62    70.00000  112.02700
   58    60    63    58.35000  112.70000
   58    74    65    83.00000  116.90000
   60    58    59    37.50000  110.70000
   60    62    65    65.00000  116.34900
   60    62    67    70.00000  124.00000
   60    63    64    37.50000  110.70000
   60    63    70    58.35000  112.70000
   60    63    73    50.00000  109.50000
   62    60    61    35.00000  109.50000
   62    65    66    80.00000  123.72100
   62    65    74    90.00000  111.29400
   62    67    68    35.00000  120.00000
   62    67    69    35.00000  120.00000
   74    58    59    35.00000  109.50000
   74    58    60    50.00000  109.50000
   74    65    66    83.00000  123.40000
   67    62    65    65.00000  118.96000
   69    67    68    35.00000  117.00000
   63    60    61    37.50000  110.70000
   63    60    62    70.00000  112.02700
   63    70    71    37.50000  110.70000
   63    70    72    37.50000  110.70000
   63    70    41    58.35000  112.70000
   63    73    75    83.00000  116.90000
   70    63    64    37.50000  110.70000
   70    41    45    75.00000  109.43000
   70    41    47    50.00000  109.50000
   72    70    71    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    70    71    37.50000  110.70000
   41    70    72    37.50000  110.70000
   41    45    46    45.00000  112.01100
   41    45    50    90.00000  108.56700
   41    45    51    90.00000  110.19100
   41    47    48    55.00000  108.50000
   45    50    55    60.00000  109.50000
   45    51    52    70.00000  107.92000
   50    45    46    35.00000  109.50000
   50    55    56    35.00000  109.50000
   50    55    57    35.00000  109.50000
   55    49    53    70.00000  124.00000
   57    55    56    33.00000  107.80000
   51    45    46    60.00000  108.02500
   51    45    50   110.00000  112.08000
   47    41    45    90.00000  111.58700
   73    63    64    35.00000  109.50000
   73    63    70    50.00000  109.50000
   73    75    76    83.00000  123.40000
   73    75    77    90.00000  111.29400
   75    77    78    65.00000  118.96000
   75    77    81    65.00000  116.34900
   77    75    76    80.00000  123.72100
   77    78    79    35.00000  120.00000
   77    78    80    35.00000  120.00000
   77    81    82    35.00000  109.50000
   77    81    83    35.00000  109.50000
   77    81    84    35.00000  109.50000
   80    78    79    35.00000  117.00000
   81    77    78    70.00000  124.00000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    41    70   0.44750  1.0 1.0
   29    33    41    70  -0.17800 -1.0 2.0
   29    33    41    70   0.20200  1.0 3.0
   29    33    41    45   0.44750  1.0 1.0
   29    33    41    45  -0.17800 -1.0 2.0
   29    33    41    45   0.20200  1.0 3.0
   29    33    41    47   0.56750  1.0 1.0
   29    33    41    47  -0.07550 -1.0 2.0
   29    33    41    47   0.20000  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    44   0.15000  1.0 3.0
   33    38    42    49   0.34400  1.0 1.0
   33    38    42    49   0.09450 -1.0 2.0
   33    38    42    49   0.11100  1.0 3.0
   33    41    45    46   0.15000  1.0 3.0
   33    41    45    50   0.62750  1.0 1.0
   33    41    45    50  -0.30950 -1.0 2.0
   33    41    45    50   0.27300  1.0 3.0
   33    41    45    51   0.86500  1.0 1.0
   33    41    45    51  -0.17500 -1.0 2.0
   33    41    45    51   0.20800  1.0 3.0
   33    41    47    48  -0.11600  1.0 1.0
   33    41    47    48  -0.09450 -1.0 2.0
   33    41    47    48   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    41    70   0.15000  1.0 3.0
   34    33    41    45   0.15000  1.0 3.0
   34    33    41    47   0.23400  1.0 3.0
   38    33    41    70   0.56750  1.0 1.0
   38    33    41    70  -0.07550 -1.0 2.0
   38    33    41    70   0.20000  1.0 3.0
   38    33    41    45   3.97050  1.0 1.0
   38    33    41    47   0.86500  1.0 1.0
   38    33    41    47  -0.17500 -1.0 2.0
   38    33    41    47   0.20800  1.0 3.0
   38    42    49    53   0.09850  1.0 1.0
   38    42    49    53   0.15250 -1.0 2.0
   38    42    49    53  -0.50650  1.0 3.0
   38    42    49    55   0.46850  1.0 1.0
   38    42    49    55   0.08550 -1.0 2.0
   38    42    49    55   0.09800  1.0 3.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    44   0.15000  1.0 3.0
   39    38    42    49   0.15000  1.0 3.0
   40    38    42    43   0.15000  1.0 3.0
   40    38    42    44   0.15000  1.0 3.0
   40    38    42    49   0.15000  1.0 3.0
   42    49    53    54   7.00000 -1.0 2.0
   42    49    53    58   7.00000 -1.0 2.0
   42    49    55    50   0.09700  1.0 1.0
   42    49    55    50   0.15600 -1.0 2.0
   42    49    55    50  -0.50800  1.0 3.0
   42    49    55    56   0.34800  1.0 3.0
   42    49    55    57   0.34800  1.0 3.0
   43    42    49    53   0.00000  1.0 1.0
   43    42    49    55   0.34800  1.0 3.0
   44    42    49    53   0.00000  1.0 1.0
   44    42    49    55   0.34800  1.0 3.0
   49    53    58    59   0.00000  1.0 1.0
   49    53    58    60   0.09850  1.0 1.0
   49    53    58    60   0.15250 -1.0 2.0
   49    53    58    60  -0.50650  1.0 3.0
   49    53    58    74   0.39000  1.0 1.0
   49    53    58    74  -0.05800 -1.0 2.0
   49    53    58    74  -0.55150  1.0 3.0
   53    49    55    50   0.39000  1.0 1.0
   53    49    55    50  -0.05800 -1.0 2.0
   53    49    55    50  -0.55150  1.0 3.0
   53    49    55    56   0.00000  1.0 1.0
   53    49    55    57   0.00000  1.0 1.0
   53    58    60    61   0.15000  1.0 3.0
   53    58    60    62   0.31000  1.0 1.0
   53    58    60    62   0.14700 -1.0 2.0
   53    58    60    62   0.07550  1.0 3.0
   53    58    60    63   0.34400  1.0 1.0
   53    58    60    63   0.09450 -1.0 2.0
   53    58    60    63   0.11100  1.0 3.0
   53    58    74    65  -0.82050  1.0 1.0
   53    58    74    65   0.00600 -1.0 2.0
   53    58    74    65   0.04400  1.0 3.0
   54    53    58    59   0.33100  1.0 3.0
   54    53    58    60   0.00000  1.0 1.0
   54    53    58    74   0.00000  1.0 1.0
   58    60   -62    65   0.09700  1.0 1.0
   58    60   -62    65   0.15600 -1.0 2.0
   58    60   -62    65  -0.50800  1.0 3.0
   58    60    62    67   0.09850  1.0 1.0
   58    60    62    67   0.15250 -1.0 2.0
   58    60    62    67  -0.50650  1.0 3.0
   58    60    63    64   0.15000  1.0 3.0
   58    60    63    70   0.56750  1.0 1.0
   58    60    63    70  -0.07550 -1.0 2.0
   58    60    63    70   0.20000  1.0 3.0
   58    60    63    73   0.62750  1.0 1.0
   58    60    63    73  -0.30950 -1.0 2.0
   58    60    63    73   0.27300  1.0 3.0
   59    58    60    61   0.15000  1.0 3.0
   59    58    60    62   0.15000  1.0 3.0
   59    58    60    63   0.15000  1.0 3.0
   59    58    74    65   0.08050  1.0 3.0
   60    58   -74    65  -0.25900  1.0 1.0
   60    58   -74    65  -0.47000 -1.0 2.0
   60    58   -74    65   0.11750  1.0 3.0
   60    62    65    66  -0.64400  1.0 1.0
   60    62    65    66   0.26850 -1.0 2.0
   60    62   -65    74  -0.15000  1.0 1.0
   60    62   -65    74   0.89550 -1.0 2.0
   60    62   -65    74  -0.06900  1.0 3.0
   60    62    67    68   7.00000 -1.0 2.0
   60    62    67    69   7.00000 -1.0 2.0
   60    63    70    71   0.15000  1.0 3.0
   60    63    70    72   0.15000  1.0 3.0
   60    63    70    41   0.56750  1.0 1.0
   60    63    70    41  -0.07550 -1.0 2.0
   60    63    70    41   0.20000  1.0 3.0
   60    63    73    75  -0.25900  1.0 1.0
   60    63    73    75  -0.47000 -1.0 2.0
   60    63    73    75   0.11750  1.0 3.0
   61    60    62    65   0.15000  1.0 3.0
   61    60    62    67   0.00000  1.0 1.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    70   0.15000  1.0 3.0
   61    60    63    73   0.23400  1.0 3.0
   62    60    63    64   0.15000  1.0 3.0
   62    60    63    70   0.34400  1.0 1.0
   62    60    63    70   0.09450 -1.0 2.0
   62    60    63    70   0.11100  1.0 3.0
   62    60    63    73   0.61850  1.0 1.0
   62    60    63    73  -0.22750 -1.0 2.0
   62    60    63    73   0.15300  1.0 3.0
   62    65   -74    58   2.00000 -1.0 2.0
   65    62    67    68   7.00000 -1.0 2.0
   65    62    67    69   7.00000 -1.0 2.0
   66    65    74    58   3.00000 -1.0 2.0
   74    58    60    61   0.23400  1.0 3.0
   74    58   -60    62   0.61850  1.0 1.0
   74    58   -60    62  -0.22750 -1.0 2.0
   74    58   -60    62   0.15300  1.0 3.0
   74    58    60    63   0.62750  1.0 1.0
   74    58    60    63  -0.30950 -1.0 2.0
   74    58    60    63   0.27300  1.0 3.0
   67    62    65    66   1.00000 -1.0 2.0
   67    62    65    74  -0.56150  1.0 1.0
   67    62    65    74   2.19150 -1.0 2.0
   63    60    62    65   0.09700  1.0 1.0
   63    60    62    65   0.15600 -1.0 2.0
   63    60    62    65  -0.50800  1.0 3.0
   63    60    62    67   0.09850  1.0 1.0
   63    60    62    67   0.15250 -1.0 2.0
   63    60    62    67  -0.50650  1.0 3.0
   63    70    41    33   0.56750  1.0 1.0
   63    70    41    33  -0.07550 -1.0 2.0
   63    70    41    33   0.20000  1.0 3.0
   63    70    41    45   3.97050  1.0 1.0
   63    70    41    47   0.86500  1.0 1.0
   63    70    41    47  -0.17500 -1.0 2.0
   63    70    41    47   0.20800  1.0 3.0
   63    73    75    76   3.00000 -1.0 2.0
   63    73    75    77   2.00000 -1.0 2.0
   64    63    70    71   0.15000  1.0 3.0
   64    63    70    72   0.15000  1.0 3.0
   64    63    70    41   0.15000  1.0 3.0
   64    63    73    75   0.08050  1.0 3.0
   70    63    73    75  -0.25900  1.0 1.0
   70    63    73    75  -0.47000 -1.0 2.0
   70    63    73    75   0.11750  1.0 3.0
   70    41    45    46   0.15000  1.0 3.0
   70    41    45    50   0.62750  1.0 1.0
   70    41    45    50  -0.30950 -1.0 2.0
   70    41    45    50   0.27300  1.0 3.0
   70    41    45    51   0.86500  1.0 1.0
   70    41    45    51  -0.17500 -1.0 2.0
   70    41    45    51   0.20800  1.0 3.0
   70    41    47    48  -0.11600  1.0 1.0
   70    41    47    48  -0.09450 -1.0 2.0
   70    41    47    48   0.21250  1.0 3.0
   71    70    41    33   0.15000  1.0 3.0
   71    70    41    45   0.15000  1.0 3.0
   71    70    41    47   0.23400  1.0 3.0
   72    70    41    33   0.15000  1.0 3.0
   72    70    41    45   0.15000  1.0 3.0
   72    70    41    47   0.23400  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    42   0.56750  1.0 1.0
   41    33    38    42  -0.07550 -1.0 2.0
   41    33    38    42   0.20000  1.0 3.0
   41    45    50    55   0.06250  1.0 1.0
   41    45    50    55  -0.01100 -1.0 2.0
   41    45    50    55   0.28050  1.0 3.0
   41    45    51    52  -0.11600  1.0 1.0
   41    45    51    52  -0.09450 -1.0 2.0
   41    45    51    52   0.21250  1.0 3.0
   45    41    47    48  -0.11600  1.0 1.0
   45    41    47    48  -0.09450 -1.0 2.0
   45    41    47    48   0.21250  1.0 3.0
   45    50    55    49  -0.77900  1.0 1.0
   45    50    55    49  -0.36900 -1.0 2.0
   45    50    55    49   0.40400  1.0 3.0
   45    50    55    56   0.37050  1.0 3.0
   45    50    55    57   0.37050  1.0 3.0
   46    45    50    55   0.37050  1.0 3.0
   46    45    51    52   0.19450  1.0 3.0
   50    45    51    52  -0.50000  1.0 1.0
   50    45    51    52  -0.73950 -1.0 2.0
   50    45    51    52   0.17150  1.0 3.0
   55    49    53    54   7.00000 -1.0 2.0
   55    49    53    58   7.00000 -1.0 2.0
   51    45    50    55  -0.70900  1.0 1.0
   51    45    50    55  -1.18000 -1.0 2.0
   51    45    50    55   0.91650  1.0 3.0
   47    41    45    46   0.23400  1.0 3.0
   47    41    45    50   3.69350  1.0 1.0
   47    41    45    50  -1.82950 -1.0 2.0
   47    41    45    51   3.75450  1.0 1.0
   73    63    70    71   0.23400  1.0 3.0
   73    63    70    72   0.23400  1.0 3.0
   73    63    70    41   0.62750  1.0 1.0
   73    63    70    41  -0.30950 -1.0 2.0
   73    63    70    41   0.27300  1.0 3.0
   73    75    77    78  -0.56150  1.0 1.0
   73    75    77    78   2.19150 -1.0 2.0
   73    75    77    81  -0.15000  1.0 1.0
   73    75    77    81   0.89550 -1.0 2.0
   73    75    77    81  -0.06900  1.0 3.0
   75    77    78    79   7.00000 -1.0 2.0
   75    77    78    80   7.00000 -1.0 2.0
   75    77    81    82   0.15000  1.0 3.0
   75    77    81    83   0.15000  1.0 3.0
   75    77    81    84   0.15000  1.0 3.0
   76    75    77    78   1.00000 -1.0 2.0
   76    75    77    81  -0.64400  1.0 1.0
   76    75    77    81   0.26850 -1.0 2.0
   78    77    81    82   0.00000  1.0 1.0
   78    77    81    83   0.00000  1.0 1.0
   78    77    81    84   0.00000  1.0 1.0
   81    77    78    79   7.00000 -1.0 2.0
   81    77    78    80   7.00000 -1.0 2.0
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
   37    30    35    36  10.50000 -1.0 2.0
   42    55    49    53   1.10000 -1.0 2.0
   58    54    53    49   1.10000 -1.0 2.0
   60    65    62    67   1.10000 -1.0 2.0
   62    74    65    66  10.50000 -1.0 2.0
   68    69    67    62   1.10000 -1.0 2.0
   73    77    75    76  10.50000 -1.0 2.0
   75    81    77    78  15.00000 -1.0 2.0
   79    80    78    77  15.00000 -1.0 2.0
END
