* LIGAND DATABASE FILE (OPLS2005)
*
001      82    84    154    247     466
    1     0 S   NP   _N1_     1    29.08416    95.19126   -19.24668
    2     1 S   H    _HN1     2     1.02832    38.44188   148.62012
    3     1 S   H    _H1_     3     1.02772    79.35383   -73.53025
    4     1 S   H    _H2_     4     1.02962    92.88721    34.64007
    5     1 S   CT   _CA1     5     1.50202   147.57937   171.33360
    6     5 S   HC   _HA1     6     1.09574   105.13238    44.32209
    7     5 S   CO3  _C1_     7     1.53818   112.49280   -75.61487
    8     7 S   O2Z  _O11     8     1.26368   114.97850   -37.05107
    9     7 S   O2Z  _O12     9     1.26240   114.99172   141.87236
   10     5 S   CT   _CB1    10     1.53092   107.34660   162.21295
   11    10 S   HC   HB11    11     1.09814   109.23548   -49.18629
   12    10 S   HC   HB12    12     1.09825   110.39874    67.35701
   13    10 S   CT   _CG1    13     1.52984   112.80158  -170.34748
   14    13 S   HC   HG11    14     1.09574   110.30721   -64.92704
   15    13 S   HC   HG12    15     1.09645   110.11449    54.20635
   16    13 S   C    _CD1    16     1.51883   112.33023   174.22257
   17    16 S   O    _OE1    17     1.22712   123.26298    -9.43524
   18    16 S   N    _N2_    18     1.38556   111.59921   171.41997
   19    18 S   H    _HN2    19     1.01591   118.93269     0.37325
   20    18 S   CT1  _CA2    20     1.46248   123.62459  -179.14088
   21    20 S   HC   _HA2    21     1.09726   109.42859   -13.06039
   22    20 S   C    _C2_    22     1.53486   108.23742  -128.67566
   23    22 S   O    _O2_    23     1.23019   122.28469  -146.87043
   24    20 S   CT   _CB2    32     1.53470   111.19058   109.27804
   25    24 S   HC   HB21    33     1.09369   109.34467    53.69365
   26    24 S   HC   HB22    34     1.09510   110.64647   171.61224
   27    22 S   N    _N3_    24     1.38525   113.38506    40.58643
   28    27 S   H    _HN3    25     1.01528   118.85666    -0.72900
   29    24 S   S    _SG2    35     1.83114   111.56270   -69.94418
   30    27 S   CT   _CA3    26     1.45450   123.53120   175.18688
   31    30 S   HC   HA31    27     1.09518   109.31609    22.75070
   32    30 S   HC   HA32    28     1.09498   107.09862   139.76513
   33    29 S   CT   _C11    36     1.89722   102.11698   135.88470
   34    30 S   CO3  _C3_    29     1.52916   113.07393  -100.78568
   35    34 S   O2Z  _O31    30     1.26407   115.39163   -44.58697
   36    34 S   O2Z  _O32    31     1.26353   114.99417   136.34070
   37    33 S   CT   _C7_    37     1.57240   107.55237   -69.85231
   38    37 S   HC   _H4_    38     1.09721   110.78066    39.03348
   39    33 S   CT   _C12    78     1.54779   106.98631    56.99125
   40    39 S   HC   _H15    79     1.09638   110.66016    48.55211
   41    39 S   HC   _H16    80     1.09359   111.83987   -71.58754
   42    37 S   CT   _C8_    39     1.54920   103.54593   -76.74884
   43    42 S   HC   _H5_    40     1.09857   108.19720    87.93363
   44    39 S   OH   _O34    81     1.42355   112.51416   167.36674
   45    44 S   HO   _H17    82     0.97164   107.14448  -179.31443
   46    42 S   CM   _C4_    41     1.49283   113.33889  -154.86130
   47    46 S   HC   _H13    42     1.08581   118.43924  -173.80318
   48    42 S   CT   _C9_    71     1.54079   106.88870   -29.27500
   49    48 S   HC   _H6_    72     1.09736   112.53118  -115.48917
   50    46 S   CM   _C5_    43     1.33405   121.70433     1.63147
   51    50 S   HC   _H14    44     1.08093   123.21520  -173.44055
   52    33 S   CT   _C10    73     1.58182   112.79141  -179.84423
   53    52 S   OM   _O35    74     1.32282   113.42769   -46.25936
   54    52 S   HC   _H7_    75     1.10069   105.33665  -175.87327
   55    48 S   OH   _O36    76     1.42927   107.89457   127.20795
   56    55 S   HO   _H18    77     0.97451   105.65496  -145.16576
   57    50 S   OS   _O33    45     1.36298   125.54041     4.05801
   58    37 S   CO   _C6_    46     1.54911   117.24818   160.06486
   59    58 S   HC   _H3_    47     1.09622   110.85736    49.05896
   60    58 S   OS1  _O37    48     1.43563   107.27427   -70.35457
   61    60 S   CO1  _C13    49     1.43355   113.70775   174.24548
   62    61 S   HC   _H8_    50     1.09745   108.70648    56.49853
   63    61 S   CT   _C14    51     1.53425   106.94750   175.23256
   64    63 S   HC   _H9_    52     1.09696   109.90285    52.90827
   65    63 S   CT   _C15    53     1.53066   111.30669   174.82926
   66    65 S   HC   _H10    54     1.09667   110.23516    73.75930
   67    63 S   OH5  _O42    69     1.42961   110.06712   -63.77812
   68    67 S   HO   _H24    70     0.97232   108.16438   -59.08206
   69    65 S   CT   _C16    55     1.53166   111.34947   -48.93863
   70    69 S   HC   _H11    56     1.09705   109.07363   -71.32076
   71    65 S   OH5  _O41    67     1.42950   109.63251  -170.36914
   72    71 S   HO   _H23    68     0.97239   108.14017    60.56096
   73    69 S   CT   _C17    57     1.53193   110.60350    49.90671
   74    73 S   HC   _H12    58     1.09832   110.95967    64.05347
   75    69 S   OH5  _O40    65     1.42593   109.69054   171.81189
   76    75 S   HO   _H22    66     0.97256   108.21197   -57.93351
   77    61 S   OS1  _O38    59     1.42766   111.34345   -64.87365
   78    73 S   CT   _C18    60     1.52973   111.56654  -175.04698
   79    78 S   HC   _H19    61     1.09509   110.98437    70.04352
   80    78 S   HC   _H20    62     1.09391   111.61640   -52.40619
   81    78 S   OH5  _O39    63     1.42505   109.01100  -171.30173
   82    81 S   HO   _H21    64     0.97236   107.03165  -176.58150
  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  13   5   4   3
  20   2   1   1  21  10  10   4   3  16   8   2   1   9   4   8
   5   5   2   5   2   1   1   1   4   6   2   8  13   6  12   7
  13   7   4   1  12   7   3   1   9   6   3   1   4   4   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    52    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    58    48    52    53    54    39    40    41    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    43    46    57    58    59    60    48    49    52    53    54    55    39    40    41    44    45  
   35    36  
   36  
    0  
   38    42    43    46    47    50    57    58    59    60    61    48    49    52    53    54    55    39    40    41    44  
   42    43    46    57    58    59    60    48    52    39  
   40    41    44    45    42    48    52    53    54    58  
   41    44    45    52  
   44    45    52  
   43    46    47    50    51    57    58    59    60    48    49    52    53    54    55    56  
   46    47    50    58    48    49    52    55  
   45    52  
    0  
   47    50    51    57    58    48    49    52    55  
   50    51    57    48  
   49    52    53    54    55    56    50    58  
   52    53    54    55    56  
   51    57    58    59    60  
   57    58  
   53    54    55    56    58  
   54    55  
   55  
   56  
    0  
   58    59    60    61  
   59    60    61    62    63    77  
   60    61  
   61    62    63    64    65    73    77    67  
   62    63    64    65    66    69    73    74    77    78    71    67    68  
   63    64    65    73    77    67  
   64    65    66    69    70    73    77    75    71    72    67    68  
   65    66    69    77    71    67    68  
   66    69    70    73    74    77    78    75    76    71    72    67    68  
   69    70    73    75    71    72    67  
   68    69    71    77  
    0  
   70    73    74    77    78    79    80    81    75    76    71    72  
   73    74    77    78    75    76    71  
   72    73    75  
    0  
   74    77    78    79    80    81    82    75    76  
   77    78    79    80    81    75  
   76    77    78  
    0  
   78    79    80    81  
   79    80    81    82  
   80    81    82  
   81    82  
   82  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.205000   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  -0.030000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   53   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   54   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   56   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   57   2.8500   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   58   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   60   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   69   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   72   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   73   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   77   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   82   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    52   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    42   268.000  1.529
   37    58   250.000  1.527
   42    43   340.000  1.090
   42    46   317.000  1.510
   42    48   268.000  1.529
   46    47   340.000  1.080
   46    50   549.000  1.340
   50    51   340.000  1.080
   50    57   440.000  1.360
   57    58   320.000  1.380
   58    59   340.000  1.090
   58    60   320.000  1.380
   60    61   370.000  1.399
   61    62   360.000  1.097
   61    63   255.000  1.525
   61    77   370.000  1.399
   63    64   340.000  1.090
   63    65   268.000  1.529
   63    67   355.000  1.421
   65    66   340.000  1.090
   65    69   268.000  1.529
   65    71   355.000  1.421
   69    70   340.000  1.090
   69    73   268.000  1.529
   69    75   355.000  1.421
   73    74   340.000  1.090
   73    77   335.000  1.422
   73    78   268.000  1.529
   78    79   340.000  1.090
   78    80   340.000  1.090
   78    81   355.000  1.421
   81    82   580.000  0.967
   75    76   580.000  0.967
   71    72   580.000  0.967
   67    68   580.000  0.967
   48    49   340.000  1.090
   48    52   268.000  1.529
   48    55   320.000  1.410
   52    53   570.000  1.307
   52    54   340.000  1.090
   55    56   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    44   320.000  1.410
   44    45   553.000  0.945
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  111.63000
   29    33    52    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    42    58.35000  112.70000
   33    37    58    75.00000  109.43000
   33    52    48    58.35000  112.70000
   33    52    53    50.00000  109.50000
   33    52    54    37.50000  110.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    44    50.00000  109.50000
   37    42    43    37.50000  110.70000
   37    42    46    70.00000  112.02700
   37    42    48    58.35000  112.70000
   37    58    57    90.00000  108.56700
   37    58    59    45.00000  112.01100
   37    58    60    90.00000  108.56700
   42    37    38    37.50000  110.70000
   42    46    47    35.00000  117.00000
   42    46    50    70.00000  124.00000
   42    48    49    37.50000  110.70000
   42    48    52    58.35000  112.70000
   42    48    55    50.00000  109.50000
   46    42    43    35.00000  109.50000
   46    50    51    35.00000  120.00000
   46    50    57    80.00000  120.01400
   50    46    47    35.00000  120.00000
   50    57    58    85.00000  113.97000
   57    50    51    55.00000  109.52600
   57    58    59    35.00000  109.50000
   57    58    60    92.60000  111.55000
   58    37    38    45.00000  108.72000
   58    37    42    75.00000  109.43000
   58    60    61    90.00000  112.10700
   60    58    59    35.00000  109.50000
   60    61    62    60.00000  105.75400
   60    61    63    90.00000  109.70700
   60    61    77   110.00000  113.16000
   61    63    64    45.00000  109.54000
   61    63    65    70.00000  111.10000
   61    63    67    90.00000  109.42000
   61    77    73    90.00000  112.10700
   63    61    62    45.00000  111.65000
   63    65    66    37.50000  110.70000
   63    65    69    58.35000  112.70000
   63    65    71    90.00000  111.45300
   63    67    68    65.00000  108.53500
   65    63    64    37.50000  110.70000
   65    69    70    37.50000  110.70000
   65    69    73    58.35000  112.70000
   65    69    75    90.00000  111.45300
   65    71    72    65.00000  108.53500
   69    65    66    37.50000  110.70000
   69    73    74    37.50000  110.70000
   69    73    77    95.00000  107.88500
   69    73    78    58.35000  112.70000
   69    75    76    65.00000  108.53500
   73    69    70    37.50000  110.70000
   73    78    79    37.50000  110.70000
   73    78    80    37.50000  110.70000
   73    78    81    90.00000  111.45300
   77    61    62    60.00000  105.75400
   77    61    63    90.00000  109.70700
   77    73    74    55.00000  108.98800
   78    73    74    37.50000  110.70000
   78    73    77    95.00000  107.88500
   78    81    82    65.00000  108.53500
   80    78    79    33.00000  107.80000
   81    78    79    60.00000  109.39000
   81    78    80    60.00000  109.39000
   75    69    70    60.00000  109.39000
   75    69    73    90.00000  111.45300
   71    65    66    60.00000  109.39000
   71    65    69    90.00000  111.45300
   67    63    64    60.00000  109.39000
   67    63    65    90.00000  111.45300
   48    42    43    37.50000  110.70000
   48    42    46    70.00000  112.02700
   48    52    53    50.00000  109.50000
   48    52    54    37.50000  110.70000
   48    55    56    55.00000  108.50000
   52    33    37    58.35000  112.70000
   52    48    49    37.50000  110.70000
   54    52    53    45.00000  125.66300
   55    48    49    35.00000  109.50000
   55    48    52    50.00000  109.50000
   39    33    37    58.35000  112.70000
   39    33    52    58.35000  112.70000
   39    44    45    55.00000  108.50000
   41    39    40    33.00000  107.80000
   44    39    40    35.00000  109.50000
   44    39    41    35.00000  109.50000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    52   0.01700  1.0 1.0
   24    29    33    52  -0.23550 -1.0 2.0
   24    29    33    52   0.21350  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    37    38   0.15000  1.0 3.0
   29    33    37    42   0.44750  1.0 1.0
   29    33    37    42  -0.17800 -1.0 2.0
   29    33    37    42   0.20200  1.0 3.0
   29    33    37    58   0.44750  1.0 1.0
   29    33    37    58  -0.17800 -1.0 2.0
   29    33    37    58   0.20200  1.0 3.0
   29    33    52    48   0.44750  1.0 1.0
   29    33    52    48  -0.17800 -1.0 2.0
   29    33    52    48   0.20200  1.0 3.0
   29    33    52    53   0.56750  1.0 1.0
   29    33    52    53  -0.07550 -1.0 2.0
   29    33    52    53   0.20000  1.0 3.0
   29    33    52    54   0.15000  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    44   0.56750  1.0 1.0
   29    33    39    44  -0.07550 -1.0 2.0
   29    33    39    44   0.20000  1.0 3.0
   33    37    42    43   0.15000  1.0 3.0
   33    37    42    46   0.34400  1.0 1.0
   33    37    42    46   0.09450 -1.0 2.0
   33    37    42    46   0.11100  1.0 3.0
   33    37   -42    48   0.56750  1.0 1.0
   33    37   -42    48  -0.07550 -1.0 2.0
   33    37   -42    48   0.20000  1.0 3.0
   33    37    58    57   0.62750  1.0 1.0
   33    37    58    57  -0.30950 -1.0 2.0
   33    37    58    57   0.27300  1.0 3.0
   33    37    58    59   0.15000  1.0 3.0
   33    37    58    60   0.62750  1.0 1.0
   33    37    58    60  -0.30950 -1.0 2.0
   33    37    58    60   0.27300  1.0 3.0
   33    39    44    45  -0.11600  1.0 1.0
   33    39    44    45  -0.09450 -1.0 2.0
   33    39    44    45   0.21250  1.0 3.0
   37    33   -52    48   0.56750  1.0 1.0
   37    33   -52    48  -0.07550 -1.0 2.0
   37    33   -52    48   0.20000  1.0 3.0
   37    33    52    53   0.62750  1.0 1.0
   37    33    52    53  -0.30950 -1.0 2.0
   37    33    52    53   0.27300  1.0 3.0
   37    33    52    54   0.15000  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    44   0.86500  1.0 1.0
   37    33    39    44  -0.17500 -1.0 2.0
   37    33    39    44   0.20800  1.0 3.0
   37    42    46    47   0.00000  1.0 1.0
   37    42    46    50   0.09850  1.0 1.0
   37    42    46    50   0.15250 -1.0 2.0
   37    42    46    50  -0.50650  1.0 3.0
   37    42    48    49   0.15000  1.0 3.0
   37    42   -48    52   0.56750  1.0 1.0
   37    42   -48    52  -0.07550 -1.0 2.0
   37    42   -48    52   0.20000  1.0 3.0
   37    42    48    55   0.86500  1.0 1.0
   37    42    48    55  -0.17500 -1.0 2.0
   37    42    48    55   0.20800  1.0 3.0
   37    58    60    61   0.06250  1.0 1.0
   37    58    60    61  -0.01100 -1.0 2.0
   37    58    60    61   0.28050  1.0 3.0
   38    37    42    43   0.15000  1.0 3.0
   38    37    42    46   0.15000  1.0 3.0
   38    37    42    48   0.15000  1.0 3.0
   38    37    58    57   0.23400  1.0 3.0
   38    37    58    59   0.15000  1.0 3.0
   38    37    58    60   0.23400  1.0 3.0
   42    37    58    57   0.62750  1.0 1.0
   42    37    58    57  -0.30950 -1.0 2.0
   42    37    58    57   0.27300  1.0 3.0
   42    37    58    59   0.15000  1.0 3.0
   42    37    58    60   0.62750  1.0 1.0
   42    37    58    60  -0.30950 -1.0 2.0
   42    37    58    60   0.27300  1.0 3.0
   42    46    50    51   7.00000 -1.0 2.0
   42    46   -50    57   7.00000 -1.0 2.0
   42    48   -52    33   0.56750  1.0 1.0
   42    48   -52    33  -0.07550 -1.0 2.0
   42    48   -52    33   0.20000  1.0 3.0
   42    48    52    53   0.62750  1.0 1.0
   42    48    52    53  -0.30950 -1.0 2.0
   42    48    52    53   0.27300  1.0 3.0
   42    48    52    54   0.15000  1.0 3.0
   42    48    55    56  -0.11600  1.0 1.0
   42    48    55    56  -0.09450 -1.0 2.0
   42    48    55    56   0.21250  1.0 3.0
   43    42    46    47   0.33100  1.0 3.0
   43    42    46    50   0.00000  1.0 1.0
   43    42    48    49   0.15000  1.0 3.0
   43    42    48    52   0.15000  1.0 3.0
   43    42    48    55   0.23400  1.0 3.0
   46    42    48    49   0.15000  1.0 3.0
   46    42    48    52   0.34400  1.0 1.0
   46    42    48    52   0.09450 -1.0 2.0
   46    42    48    52   0.11100  1.0 3.0
   46    42    48    55   1.05650  1.0 1.0
   46    42    48    55   0.15600 -1.0 2.0
   46    42    48    55   0.53150  1.0 3.0
   46    50    57    58  -2.26850  1.0 1.0
   46    50    57    58   3.39050 -1.0 2.0
   47    46    50    51   7.00000 -1.0 2.0
   47    46    50    57   7.00000 -1.0 2.0
   50    57   -58    37  -0.46850  1.0 1.0
   50    57   -58    37   0.09300 -1.0 2.0
   50    57   -58    37  -0.12850  1.0 3.0
   50    57    58    59   0.08050  1.0 3.0
   50    57    58    60  -0.48150  1.0 1.0
   50    57    58    60   0.09250 -1.0 2.0
   50    57    58    60  -0.12850  1.0 3.0
   51    50    57    58   0.50000 -1.0 2.0
   57    58    60    61  -0.53350  1.0 1.0
   57    58    60    61  -0.78350 -1.0 2.0
   57    58    60    61   0.33750  1.0 3.0
   58    37    42    43   0.15000  1.0 3.0
   58    37   -42    46   0.34400  1.0 1.0
   58    37   -42    46   0.09450 -1.0 2.0
   58    37   -42    46   0.11100  1.0 3.0
   58    37    42    48   3.97050  1.0 1.0
   58    60    61    62   0.37050  1.0 3.0
   58    60    61    63   0.06250  1.0 1.0
   58    60    61    63  -0.01100 -1.0 2.0
   58    60    61    63   0.28050  1.0 3.0
   58    60    61    77  -0.12700  1.0 1.0
   58    60    61    77  -1.16200 -1.0 2.0
   58    60    61    77   0.58800  1.0 3.0
   59    58    60    61   0.37050  1.0 3.0
   60    61    63    64   0.23400  1.0 3.0
   60    61    63    65   0.62750  1.0 1.0
   60    61    63    65  -0.30950 -1.0 2.0
   60    61    63    65   0.27300  1.0 3.0
   60    61    63    67   1.51850  1.0 1.0
   60    61    77    73  -0.70400  1.0 1.0
   60    61    77    73  -0.90350 -1.0 2.0
   61    63    65    66   0.15000  1.0 3.0
   61    63    65    69   0.56750  1.0 1.0
   61    63    65    69  -0.07550 -1.0 2.0
   61    63    65    69   0.20000  1.0 3.0
   61    63    65    71  -0.47750  1.0 1.0
   61    63    67    68   0.29150  1.0 1.0
   61    63    67    68  -0.28350 -1.0 2.0
   61    63    67    68   0.43600  1.0 3.0
   62    61    63    64   0.15000  1.0 3.0
   62    61    63    65   0.15000  1.0 3.0
   62    61    63    67   0.23400  1.0 3.0
   62    61    77    73   0.37050  1.0 3.0
   63    61    77    73   0.06250  1.0 1.0
   63    61    77    73  -0.01100 -1.0 2.0
   63    61    77    73   0.28050  1.0 3.0
   63    65    69    70   0.15000  1.0 3.0
   63    65   -69    73   0.56750  1.0 1.0
   63    65   -69    73  -0.07550 -1.0 2.0
   63    65   -69    73   0.20000  1.0 3.0
   63    65    69    75  -0.47750  1.0 1.0
   63    65    71    72   0.29150  1.0 1.0
   63    65    71    72  -0.28350 -1.0 2.0
   63    65    71    72   0.43600  1.0 3.0
   64    63    65    66   0.15000  1.0 3.0
   64    63    65    69   0.15000  1.0 3.0
   64    63    65    71   0.23400  1.0 3.0
   64    63    67    68   0.19450  1.0 3.0
   65    63    67    68   0.29150  1.0 1.0
   65    63    67    68  -0.28350 -1.0 2.0
   65    63    67    68   0.43600  1.0 3.0
   65    69    73    74   0.15000  1.0 3.0
   65    69    73    77   0.62750  1.0 1.0
   65    69    73    77  -0.30950 -1.0 2.0
   65    69    73    77   0.27300  1.0 3.0
   65    69    73    78   0.56750  1.0 1.0
   65    69    73    78  -0.07550 -1.0 2.0
   65    69    73    78   0.20000  1.0 3.0
   65    69    75    76   0.29150  1.0 1.0
   65    69    75    76  -0.28350 -1.0 2.0
   65    69    75    76   0.43600  1.0 3.0
   66    65    69    70   0.15000  1.0 3.0
   66    65    69    73   0.15000  1.0 3.0
   66    65    69    75   0.23400  1.0 3.0
   66    65    71    72   0.19450  1.0 3.0
   69    65    71    72   0.29150  1.0 1.0
   69    65    71    72  -0.28350 -1.0 2.0
   69    65    71    72   0.43600  1.0 3.0
   69    73   -77    61   0.06250  1.0 1.0
   69    73   -77    61  -0.01100 -1.0 2.0
   69    73   -77    61   0.28050  1.0 3.0
   69    73    78    79   0.15000  1.0 3.0
   69    73    78    80   0.15000  1.0 3.0
   69    73    78    81  -0.47750  1.0 1.0
   70    69    73    74   0.15000  1.0 3.0
   70    69    73    77   0.23400  1.0 3.0
   70    69    73    78   0.15000  1.0 3.0
   70    69    75    76   0.19450  1.0 3.0
   73    69    75    76   0.29150  1.0 1.0
   73    69    75    76  -0.28350 -1.0 2.0
   73    69    75    76   0.43600  1.0 3.0
   73    78    81    82   0.29150  1.0 1.0
   73    78    81    82  -0.28350 -1.0 2.0
   73    78    81    82   0.43600  1.0 3.0
   74    73    77    61   0.37050  1.0 3.0
   74    73    78    79   0.15000  1.0 3.0
   74    73    78    80   0.15000  1.0 3.0
   74    73    78    81   0.23400  1.0 3.0
   77    61    63    64   0.23400  1.0 3.0
   77    61   -63    65   0.62750  1.0 1.0
   77    61   -63    65  -0.30950 -1.0 2.0
   77    61   -63    65   0.27300  1.0 3.0
   77    61    63    67   1.51850  1.0 1.0
   77    73    78    79   0.23400  1.0 3.0
   77    73    78    80   0.23400  1.0 3.0
   77    73    78    81   1.51850  1.0 1.0
   78    73    77    61   0.06250  1.0 1.0
   78    73    77    61  -0.01100 -1.0 2.0
   78    73    77    61   0.28050  1.0 3.0
   79    78    81    82   0.19450  1.0 3.0
   80    78    81    82   0.19450  1.0 3.0
   75    69    73    74   0.23400  1.0 3.0
   75    69    73    77   1.51850  1.0 1.0
   75    69    73    78  -0.47750  1.0 1.0
   71    65    69    70   0.23400  1.0 3.0
   71    65    69    73  -0.47750  1.0 1.0
   71    65    69    75   3.77950  1.0 1.0
   67    63    65    66   0.23400  1.0 3.0
   67    63    65    69  -0.47750  1.0 1.0
   67    63    65    71   3.77950  1.0 1.0
   48    42    46    47   0.00000  1.0 1.0
   48    42    46    50   0.09850  1.0 1.0
   48    42    46    50   0.15250 -1.0 2.0
   48    42    46    50  -0.50650  1.0 3.0
   49    48    52    33   0.15000  1.0 3.0
   49    48    52    53   0.23400  1.0 3.0
   49    48    52    54   0.15000  1.0 3.0
   49    48    55    56   0.19450  1.0 3.0
   52    33    37    38   0.15000  1.0 3.0
   52    33   -37    42   0.56750  1.0 1.0
   52    33   -37    42  -0.07550 -1.0 2.0
   52    33   -37    42   0.20000  1.0 3.0
   52    33    37    58   3.97050  1.0 1.0
   52    33    39    40   0.15000  1.0 3.0
   52    33    39    41   0.15000  1.0 3.0
   52    33    39    44   0.86500  1.0 1.0
   52    33    39    44  -0.17500 -1.0 2.0
   52    33    39    44   0.20800  1.0 3.0
   52    48    55    56  -0.11600  1.0 1.0
   52    48    55    56  -0.09450 -1.0 2.0
   52    48    55    56   0.21250  1.0 3.0
   55    48    52    33   0.86500  1.0 1.0
   55    48    52    33  -0.17500 -1.0 2.0
   55    48    52    33   0.20800  1.0 3.0
   55    48    52    53   3.69350  1.0 1.0
   55    48    52    53  -1.82950 -1.0 2.0
   55    48    52    54   0.23400  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    42   0.56750  1.0 1.0
   39    33    37    42  -0.07550 -1.0 2.0
   39    33    37    42   0.20000  1.0 3.0
   39    33    37    58   3.97050  1.0 1.0
   39    33    52    48   0.56750  1.0 1.0
   39    33    52    48  -0.07550 -1.0 2.0
   39    33    52    48   0.20000  1.0 3.0
   39    33    52    53   0.62750  1.0 1.0
   39    33    52    53  -0.30950 -1.0 2.0
   39    33    52    53   0.27300  1.0 3.0
   39    33    52    54   0.15000  1.0 3.0
   40    39    44    45   0.19450  1.0 3.0
   41    39    44    45   0.19450  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
   35    30    34    36  10.50000 -1.0 2.0
   42    47    46    50   1.10000 -1.0 2.0
   57    51    50    46   1.10000 -1.0 2.0
END
