* LIGAND DATABASE FILE (OPLS2005)
*
001      84    83    147    211     428
    1     0 S   NP   _N1_     1    28.70111    93.89000   -20.80213
    2     1 S   H    _HN1     2     1.02021    80.79135    54.05974
    3     1 S   H    _H1_     3     1.02135    35.66841  -164.51685
    4     1 S   H    _H2_     4     1.02099    98.13354   -53.74085
    5     1 S   CT   _CA1     5     1.47350   143.09843   165.65738
    6     5 S   HC   _HA1     6     1.06017   107.45539    47.03433
    7     5 S   CO3  _C1_     7     1.53829   109.33942   -68.17175
    8     7 S   O2Z  _O11     8     1.25154   118.46701   -27.32737
    9     7 S   O2Z  _O12     9     1.24898   117.24946   152.26555
   10     5 S   CT   _CB1    10     1.54281   111.03918   167.74439
   11    10 S   HC   HB11    11     1.08929   109.26512   -44.52311
   12    10 S   HC   HB12    12     1.08772   109.34450    72.20433
   13    10 S   CT   _CG1    13     1.53934   112.63786  -165.89722
   14    13 S   HC   HG11    14     1.10479   110.04768   -59.32622
   15    13 S   HC   HG12    15     1.10493   110.13804    57.98761
   16    13 S   C    _CD1    16     1.52596   114.68728   179.10606
   17    16 S   O    _OE1    17     1.22981   121.36416   -16.08130
   18    16 S   N    _N2_    18     1.34107   114.77312   162.49582
   19    18 S   H    _HN2    19     1.04690   118.93088     8.54893
   20    18 S   CT1  _CA2    20     1.46273   126.87342  -171.30195
   21    20 S   HC   _HA2    21     1.08486   106.38580   -11.13132
   22    20 S   C    _C2_    22     1.53997   112.59386  -130.33753
   23    22 S   O    _O2_    23     1.23045   119.06879  -169.67318
   24    20 S   CTL  _CB2    32     1.54652   109.47347   105.30358
   25    24 S   HC   HB21    33     1.08733   110.25787    59.09630
   26    24 S   HC   HB22    34     1.08755   109.66015   178.71931
   27    22 S   N    _N3_    24     1.34342   118.95001    10.51681
   28    27 S   H    _HN3    25     1.03492   120.06118     5.01325
   29    24 S   S    _SG2    35     1.81666   112.43212   -61.28423
   30    27 S   CT   _CA3    26     1.46098   124.52763  -172.12613
   31    30 S   HC   HA31    27     1.12298   109.15732    14.27908
   32    30 S   HC   HA32    28     1.12301   109.23063   127.78828
   33    29 S   S    _S1_    36     2.05327   101.37996   179.97202
   34    30 S   CO3  _C3_    29     1.53166   113.47286  -109.01667
   35    34 S   O2Z  _O31    30     1.24973   119.17393     1.13160
   36    34 S   O2Z  _O32    31     1.25025   116.29664   179.33884
   37    33 S   CTL  _C8_    37     1.80940   101.75688    90.01238
   38    37 S   HC   _H11    38     1.09510   107.32252   -37.87336
   39    37 S   HC   _H12    39     1.09535   107.60960    77.68068
   40    37 S   CT1  _C7_    40     1.53097   113.74309  -159.99588
   41    40 S   HC   _H4_    41     1.09686   108.56206  -176.37728
   42    40 S   CO4  _C9_    42     1.52978   112.64560   -59.47613
   43    42 S   O    _O34    43     1.23366   120.61151   123.44948
   44    40 S   N    _N4_    48     1.43863   111.64146    67.90392
   45    44 S   H    _H10    49     1.01820   118.07067   -89.78613
   46    42 S   CT   _C10    44     1.50739   119.23431   -58.45380
   47    46 S   HC   _H13    45     1.09369   109.51110    89.96486
   48    46 S   HC   _H14    46     1.09232   109.87839  -151.01855
   49    46 S   HC   _H15    47     1.09337   110.00047   -28.90888
   50    44 S   C    _C6_    50     1.39112   122.87568    87.63157
   51    50 S   O    _O33    51     1.22889   124.60228    -0.00000
   52    50 S   CT1  _C5_    52     1.52239   112.27708   178.04365
   53    52 S   HC   _H3_    53     1.09578   109.50666    31.94339
   54    52 S   CT   _C4_    54     1.52099   110.97035   -89.85915
   55    54 S   HC   _H7_    55     1.09676   111.17905   -58.56024
   56    54 S   HC   _H8_    56     1.09504   111.23964    61.30430
   57    54 S   HC   _H9_    57     1.09541   110.86620  -178.31472
   58    52 S   N    _N5_    58     1.43898   107.98734   147.86235
   59    58 S   H    _H16    59     1.01809   118.05183    94.89021
   60    58 S   C    _C11    60     1.39021   122.82825   -87.71394
   61    60 S   O    _O35    61     1.22921   124.69851     0.02798
   62    60 S   CT1  _C12    62     1.52354   112.25910   178.04065
   63    62 S   HC   _H5_    63     1.09558   109.50328    31.94655
   64    62 S   CT   _C13    64     1.52091   110.91489   -89.84463
   65    64 S   HC   _H17    65     1.09562   111.25266   -58.58789
   66    64 S   HC   _H18    66     1.09540   111.25848    61.32567
   67    64 S   HC   _H19    67     1.09604   110.79958  -178.30603
   68    62 S   N    _N6_    68     1.43903   107.99821   147.85112
   69    68 S   H    _H20    69     1.01868   117.98369    95.11816
   70    68 S   C    _C14    70     1.38931   122.85176   -87.70181
   71    70 S   O    _O36    71     1.22939   124.59150     0.01978
   72    70 S   CT1  _C15    72     1.52761   112.42937   178.85534
   73    72 S   HC   _H6_    73     1.09681   107.54090     1.14791
   74    72 S   CT   _C16    74     1.52976   113.38713  -119.04123
   75    74 S   HC   _H21    75     1.09467   110.60163   179.95577
   76    74 S   HC   _H22    76     1.09598   109.98133   -61.40530
   77    72 S   NT   _N7_    79     1.44169   108.89389   115.09621
   78    77 S   H    _H24    80     1.02423   110.02782   160.02922
   79    74 S   SH   _S2_    77     1.82292   113.75611    59.06170
   80    79 S   HS   _H23    78     1.33876    95.79070   179.97202
   81    77 S   CT   _C17    81     1.46229   111.50881   -79.54464
   82    81 S   HC   _H25    82     1.09410   110.09977    58.65374
   83    81 S   HC   _H26    83     1.09318   110.22614   -61.36523
   84    81 S   HC   _H27    84     1.09307   110.21552   178.66279
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   6   3   2   7   4   5   5   4   3
   7   2   1   1  10   5   4  12   6   8   5   8   3   3   2   1
   1  10   4  10   7   6   3   2   1   7   3  10   4  10   7   6
   3   2   1   7   3  10   4  12   7   7   4   3   6   4   1   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    42    44  
   35    36  
   36  
    0  
   38    39    40    41    42    43    46    44    45    50  
   39    40    41    42    44  
   40    41    42    44  
   41    42    43    46    47    48    49    44    45    50    51    52  
   42    43    46    44    45    50  
   43    46    47    48    49    44    45    50  
   46    47    48    49    44  
   45    50    51    52    53    54    58    46  
   50    51    52  
   47    48    49  
   48    49  
   49  
    0  
   51    52    53    54    55    56    57    58    59    60  
   52    53    54    58  
   53    54    55    56    57    58    59    60    61    62  
   54    55    56    57    58    59    60  
   55    56    57    58    59    60  
   56    57    58  
   57    58  
   58  
   59    60    61    62    63    64    68  
   60    61    62  
   61    62    63    64    65    66    67    68    69    70  
   62    63    64    68  
   63    64    65    66    67    68    69    70    71    72  
   64    65    66    67    68    69    70  
   65    66    67    68    69    70  
   66    67    68  
   67    68  
   68  
   69    70    71    72    73    74    77  
   70    71    72  
   71    72    73    74    75    76    79    77    78    81  
   72    73    74    77  
   73    74    75    76    79    80    77    78    81    82    83    84  
   74    75    76    79    77    78    81  
   75    76    79    80    77    78    81  
   76    79    80    77  
   79    80    77  
   78    81    82    83    84    79  
   81    82    83    84  
   80  
    0  
   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   0.097500   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  -0.217500   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   3.6000   0.3550  -0.217500   2.0300   1.8000   0.025682759  -1.666211680
   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   0.097500   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   42   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   44   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   45   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   46   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   52   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   59   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   60   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   62   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   64   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   69   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   70   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   71   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   72   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660   0.060000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   3.3000   0.1700  -0.702500   1.8650   1.6500   0.051222218  -2.220205820
   78   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.6000   0.4250  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   80   0.5000   0.0300   0.155000   0.9960   0.8600   0.030040813  -0.651083722
   81   3.5000   0.0660   0.020000   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    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   166.000  2.038
   33    37   222.000  1.810
   37    38   340.000  1.090
   37    39   340.000  1.090
   37    40   268.000  1.529
   40    41   340.000  1.090
   40    42   255.000  1.522
   40    44   337.000  1.449
   42    43   570.000  1.229
   42    46   317.000  1.522
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
   44    45   434.000  1.010
   44    50   490.000  1.335
   50    51   570.000  1.229
   50    52   317.000  1.522
   52    53   340.000  1.090
   52    54   268.000  1.529
   52    58   337.000  1.449
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   58    59   434.000  1.010
   58    60   490.000  1.335
   60    61   570.000  1.229
   60    62   317.000  1.522
   62    63   340.000  1.090
   62    64   268.000  1.529
   62    68   337.000  1.449
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   68    69   434.000  1.010
   68    70   490.000  1.335
   70    71   570.000  1.229
   70    72   317.000  1.522
   72    73   340.000  1.090
   72    74   268.000  1.529
   72    77   305.000  1.457
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    79   222.000  1.810
   79    80   274.000  1.336
   77    78   434.000  1.010
   77    81   382.000  1.448
   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    50.00000  114.70000
   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    68.00000  103.70000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    68.00000  103.70000
   33    37    38    35.00000  109.50000
   33    37    39    35.00000  109.50000
   33    37    40    50.00000  114.70000
   37    40    41    37.50000  110.70000
   37    40    42    70.00000  110.61500
   37    40    44    80.00000  109.70000
   39    37    38    33.00000  107.80000
   40    37    38    37.50000  110.70000
   40    37    39    37.50000  110.70000
   40    42    43    75.00000  123.42600
   40    42    46    65.00000  117.09000
   40    44    45    38.00000  118.40000
   40    44    50    50.00000  121.90000
   42    40    41    45.00000  110.09800
   42    46    47    35.00000  109.50000
   42    46    48    35.00000  109.50000
   42    46    49    35.00000  109.50000
   46    42    43    80.00000  120.40000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
   44    40    41    35.00000  109.50000
   44    40    42    80.00000  110.29000
   44    50    51    80.00000  122.90000
   44    50    52    70.00000  116.60000
   50    44    45    35.00000  119.80000
   50    52    53    35.00000  109.50000
   50    52    54    63.00000  111.10000
   50    52    58    63.00000  110.10000
   52    50    51    80.00000  120.40000
   52    54    55    37.50000  110.70000
   52    54    56    37.50000  110.70000
   52    54    57    37.50000  110.70000
   52    58    59    38.00000  118.40000
   52    58    60    50.00000  121.90000
   54    52    53    37.50000  110.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   58    52    53    35.00000  109.50000
   58    52    54    80.00000  109.70000
   58    60    61    80.00000  122.90000
   58    60    62    70.00000  116.60000
   60    58    59    35.00000  119.80000
   60    62    63    35.00000  109.50000
   60    62    64    63.00000  111.10000
   60    62    68    63.00000  110.10000
   62    60    61    80.00000  120.40000
   62    64    65    37.50000  110.70000
   62    64    66    37.50000  110.70000
   62    64    67    37.50000  110.70000
   62    68    69    38.00000  118.40000
   62    68    70    50.00000  121.90000
   64    62    63    37.50000  110.70000
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   68    62    63    35.00000  109.50000
   68    62    64    80.00000  109.70000
   68    70    71    80.00000  122.90000
   68    70    72    70.00000  116.60000
   70    68    69    35.00000  119.80000
   70    72    73    35.00000  109.50000
   70    72    74    63.00000  111.10000
   70    72    77    75.00000  111.54000
   72    70    71    80.00000  120.40000
   72    74    75    37.50000  110.70000
   72    74    76    37.50000  110.70000
   72    74    79    50.00000  108.60000
   72    77    78    50.00000  111.55300
   72    77    81    51.80000  107.20000
   74    72    73    37.50000  110.70000
   74    79    80    44.00000   96.00000
   76    74    75    33.00000  107.80000
   79    74    75    35.00000  109.50000
   79    74    76    35.00000  109.50000
   77    72    73    50.00000  109.55000
   77    72    74    80.00000  111.22000
   77    81    82    35.00000  109.50000
   77    81    83    35.00000  109.50000
   77    81    84    35.00000  109.50000
   81    77    78    35.00000  109.50000
   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   0.97050  1.0 1.0
   20    24    29    33  -0.41800 -1.0 2.0
   20    24    29    33   0.46750  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   0.22600  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  -3.70700 -1.0 2.0
   24    29    33    37   0.85250  1.0 3.0
   25    24    29    33   0.27900  1.0 3.0
   26    24    29    33   0.27900  1.0 3.0
   29    33    37    38   0.27900  1.0 3.0
   29    33    37    39   0.27900  1.0 3.0
   29    33    37    40   0.97050  1.0 1.0
   29    33    37    40  -0.41800 -1.0 2.0
   29    33    37    40   0.46750  1.0 3.0
   33    37    40    41   0.22600  1.0 3.0
   33    37    40    42  -2.17200  1.0 1.0
   33    37    40    42  -0.85700 -1.0 2.0
   33    37    40    44   0.71400  1.0 1.0
   33    37    40    44   0.04300 -1.0 2.0
   33    37    40    44   0.01450  1.0 3.0
   37    40    42    43   0.00000  1.0 1.0
   37    40    42    46   0.60050  1.0 1.0
   37    40    42    46   0.05600 -1.0 2.0
   37    40    42    46   0.26150  1.0 3.0
   37    40    44    45   0.00000  1.0 1.0
   37    40    44    50   0.25950  1.0 1.0
   37    40    44    50   0.43850 -1.0 2.0
   37    40    44    50   2.61650  1.0 3.0
   38    37    40    41   0.15000  1.0 3.0
   38    37    40    42  -0.03800  1.0 3.0
   38    37    40    44   0.23200  1.0 3.0
   39    37    40    41   0.15000  1.0 3.0
   39    37    40    42  -0.03800  1.0 3.0
   39    37    40    44   0.23200  1.0 3.0
   40    42    46    47   0.00000  1.0 1.0
   40    42    46    48   0.00000  1.0 1.0
   40    42    46    49   0.00000  1.0 1.0
   40    44    50    51   3.04450 -1.0 2.0
   40    44    50    52   1.15000  1.0 1.0
   40    44    50    52   3.04450 -1.0 2.0
   41    40    42    43   0.00000  1.0 1.0
   41    40    42    46   0.00000  1.0 1.0
   41    40    44    45   0.00000  1.0 1.0
   41    40    44    50   0.00000  1.0 1.0
   42    40    44    45   0.00000  1.0 1.0
   42    40    44    50  -0.29800  1.0 1.0
   42    40    44    50   0.13950 -1.0 2.0
   42    40    44    50  -2.45650  1.0 3.0
   43    42    46    47   0.00000  1.0 1.0
   43    42    46    48   0.00000  1.0 1.0
   43    42    46    49   0.00000  1.0 1.0
   44    40    42    43   0.00000  1.0 1.0
   44    40    42    46   0.65300  1.0 1.0
   44    40    42    46  -0.03850 -1.0 2.0
   44    40    42    46   0.33900  1.0 3.0
   44    50    52    53   0.00000  1.0 1.0
   44    50    52    54   0.93250  1.0 1.0
   44    50    52    54   0.04450 -1.0 2.0
   44    50    52    54   0.17550  1.0 3.0
   44    50    52    58   0.37150  1.0 1.0
   44    50    52    58   1.25400 -1.0 2.0
   44    50    52    58  -0.40250  1.0 3.0
   45    44    50    51   2.45000 -1.0 2.0
   45    44    50    52   2.45000 -1.0 2.0
   50    52    54    55  -0.03800  1.0 3.0
   50    52    54    56  -0.03800  1.0 3.0
   50    52    54    57  -0.03800  1.0 3.0
   50    52    58    59   0.00000  1.0 1.0
   50    52    58    60  -0.29800  1.0 1.0
   50    52    58    60   0.13950 -1.0 2.0
   50    52    58    60  -2.45650  1.0 3.0
   51    50    52    53   0.00000  1.0 1.0
   51    50    52    54   0.00000  1.0 1.0
   51    50    52    58   0.00000  1.0 1.0
   52    58    60    61   3.04450 -1.0 2.0
   52    58    60    62   1.15000  1.0 1.0
   52    58    60    62   3.04450 -1.0 2.0
   53    52    54    55   0.15000  1.0 3.0
   53    52    54    56   0.15000  1.0 3.0
   53    52    54    57   0.15000  1.0 3.0
   53    52    58    59   0.00000  1.0 1.0
   53    52    58    60   0.00000  1.0 1.0
   54    52    58    59   0.00000  1.0 1.0
   54    52    58    60   0.25950  1.0 1.0
   54    52    58    60   0.43850 -1.0 2.0
   54    52    58    60   2.61650  1.0 3.0
   58    52    54    55   0.23200  1.0 3.0
   58    52    54    56   0.23200  1.0 3.0
   58    52    54    57   0.23200  1.0 3.0
   58    60    62    63   0.00000  1.0 1.0
   58    60    62    64   0.93250  1.0 1.0
   58    60    62    64   0.04450 -1.0 2.0
   58    60    62    64   0.17550  1.0 3.0
   58    60    62    68   0.37150  1.0 1.0
   58    60    62    68   1.25400 -1.0 2.0
   58    60    62    68  -0.40250  1.0 3.0
   59    58    60    61   2.45000 -1.0 2.0
   59    58    60    62   2.45000 -1.0 2.0
   60    62    64    65  -0.03800  1.0 3.0
   60    62    64    66  -0.03800  1.0 3.0
   60    62    64    67  -0.03800  1.0 3.0
   60    62    68    69   0.00000  1.0 1.0
   60    62    68    70  -0.29800  1.0 1.0
   60    62    68    70   0.13950 -1.0 2.0
   60    62    68    70  -2.45650  1.0 3.0
   61    60    62    63   0.00000  1.0 1.0
   61    60    62    64   0.00000  1.0 1.0
   61    60    62    68   0.00000  1.0 1.0
   62    68    70    71   3.04450 -1.0 2.0
   62    68    70    72   1.15000  1.0 1.0
   62    68    70    72   3.04450 -1.0 2.0
   63    62    64    65   0.15000  1.0 3.0
   63    62    64    66   0.15000  1.0 3.0
   63    62    64    67   0.15000  1.0 3.0
   63    62    68    69   0.00000  1.0 1.0
   63    62    68    70   0.00000  1.0 1.0
   64    62    68    69   0.00000  1.0 1.0
   64    62    68    70   0.25950  1.0 1.0
   64    62    68    70   0.43850 -1.0 2.0
   64    62    68    70   2.61650  1.0 3.0
   68    62    64    65   0.23200  1.0 3.0
   68    62    64    66   0.23200  1.0 3.0
   68    62    64    67   0.23200  1.0 3.0
   68    70    72    73   0.00000  1.0 1.0
   68    70    72    74   0.93250  1.0 1.0
   68    70    72    74   0.04450 -1.0 2.0
   68    70    72    74   0.17550  1.0 3.0
   68    70    72    77   0.00000  1.0 1.0
   69    68    70    71   2.45000 -1.0 2.0
   69    68    70    72   2.45000 -1.0 2.0
   70    72    74    75  -0.03800  1.0 3.0
   70    72    74    76  -0.03800  1.0 3.0
   70    72    74    79  -2.17200  1.0 1.0
   70    72    74    79  -0.85700 -1.0 2.0
   70    72    77    78   0.21900  1.0 1.0
   70    72    77    78  -0.24900 -1.0 2.0
   70    72    77    78   0.15200  1.0 3.0
   70    72    77    81  -1.76800  1.0 1.0
   70    72    77    81   1.02600 -1.0 2.0
   70    72    77    81   0.19700  1.0 3.0
   71    70    72    73   0.00000  1.0 1.0
   71    70    72    74   0.00000  1.0 1.0
   71    70    72    77   0.30150 -1.0 2.0
   72    74    79    80  -0.37950  1.0 1.0
   72    74    79    80  -0.14100 -1.0 2.0
   72    74    79    80   0.30150  1.0 3.0
   72    77    81    82   0.28000  1.0 3.0
   72    77    81    83   0.28000  1.0 3.0
   72    77    81    84   0.28000  1.0 3.0
   73    72    74    75   0.15000  1.0 3.0
   73    72    74    76   0.15000  1.0 3.0
   73    72    74    79   0.22600  1.0 3.0
   73    72    77    78   0.20000  1.0 3.0
   73    72    77    81   0.28000  1.0 3.0
   74    72    77    78  -0.05950  1.0 1.0
   74    72    77    78   0.08850 -1.0 2.0
   74    72    77    78   0.11750  1.0 3.0
   74    72    77    81   0.23450  1.0 1.0
   74    72    77    81   0.02050 -1.0 2.0
   74    72    77    81   0.25250  1.0 3.0
   75    74    79    80   0.22550  1.0 3.0
   76    74    79    80   0.22550  1.0 3.0
   77    72    74    75   0.15000  1.0 3.0
   77    72    74    76   0.15000  1.0 3.0
   77    72    74    79   0.56750  1.0 1.0
   77    72    74    79  -0.07550 -1.0 2.0
   77    72    74    79   0.20000  1.0 3.0
   78    77    81    82   0.20000  1.0 3.0
   78    77    81    83   0.20000  1.0 3.0
   78    77    81    84   0.20000  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
   40    46    42    43  10.50000 -1.0 2.0
   45    50    44    40   1.00000 -1.0 2.0
   44    52    50    51  10.50000 -1.0 2.0
   59    60    58    52   1.00000 -1.0 2.0
   58    62    60    61  10.50000 -1.0 2.0
   69    70    68    62   1.00000 -1.0 2.0
   68    72    70    71  10.50000 -1.0 2.0
END
