* LIGAND DATABASE FILE (OPLS2005)
*
001      85    84    150    217     438
    1     0 S   NP   _N1_     1    28.70111    93.89000   -20.80213
    2     1 S   H    _HN1     2     1.02100    33.17707   175.74195
    3     1 S   H    _H1_     3     1.02150    93.05631   -63.96866
    4     1 S   H    _H2_     4     1.02105    87.32578    44.65611
    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    _S2_    36     2.05400   101.33427   -59.97836
   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  _C16    37     1.80853   101.74098   -90.05839
   38    37 S   HC   _H22    38     1.09481   107.34550    57.31974
   39    37 S   HC   _H23    39     1.09530   107.62533   -57.72439
   40    37 S   CT1  _C15    40     1.53131   114.10309   180.00000
   41    40 S   HC   _H6_    41     1.09641   109.35258   178.05348
   42    40 S   C    _C14    42     1.52138   113.70424   -60.96658
   43    42 S   O    _O36    43     1.22891   122.77002    88.33683
   44    40 S   NP   _N7_    79     1.49181   109.54946    63.40054
   45    44 S   H    _H24    80     1.02730   108.89815    55.03039
   46    44 S   H    _H25    81     1.02774   108.86408   -60.22585
   47    42 S   N    _N6_    44     1.38677   112.40966   -91.97549
   48    47 S   H    _H21    45     1.01659   118.83241     0.31775
   49    44 S   CT   _C17    82     1.48516   114.04634   177.44273
   50    49 S   HC   _H26    83     1.09107   107.87002    57.77267
   51    49 S   HC   _H27    84     1.09160   107.81924   177.82327
   52    49 S   HC   _H28    85     1.09261   107.81108   -62.21850
   53    47 S   CT1  _C12    46     1.44312   122.30055  -179.70926
   54    53 S   HC   _H5_    47     1.09510   106.81376    30.04649
   55    53 S   C    _C11    48     1.52303   108.00057   -87.68722
   56    55 S   O    _O35    49     1.22879   123.09521   -34.09155
   57    53 S   CT   _C13    75     1.52116   111.33921   150.31967
   58    57 S   HC   _H18    76     1.09540   111.24930    61.72244
   59    57 S   HC   _H19    77     1.09507   111.27946  -178.34436
   60    57 S   HC   _H20    78     1.09519   110.80240   -58.00724
   61    55 S   N    _N5_    50     1.38772   112.05450   147.85784
   62    61 S   H    _H17    51     1.01533   119.52377    -4.56716
   63    61 S   CT1  _C5_    52     1.44504   122.62331   178.02513
   64    63 S   HC   _H3_    53     1.09520   106.82207    30.02798
   65    63 S   C    _C6_    54     1.52297   108.00137   -87.69561
   66    65 S   O    _O33    55     1.22917   123.05631   -34.02993
   67    63 S   CT   _C4_    71     1.52173   111.29730   150.29340
   68    67 S   HC   _H7_    72     1.09570   111.20639    61.74298
   69    67 S   HC   _H8_    73     1.09516   111.21640  -178.38917
   70    67 S   HC   _H9_    74     1.09533   110.84909   -58.01317
   71    65 S   N    _N4_    56     1.38752   112.08573   147.85940
   72    71 S   H    _H10    57     1.01562   119.47898    -4.48886
   73    71 S   CT1  _C7_    58     1.44408   122.66916   177.99435
   74    73 S   HC   _H4_    59     1.09723   105.41126   -29.92814
   75    73 S   CO4  _C9_    60     1.52896   112.25979  -144.77059
   76    75 S   O    _O34    61     1.23420   120.64877    -3.50861
   77    73 S   CT   _C8_    66     1.53064   111.59409    87.68175
   78    77 S   HC   _H11    67     1.09525   110.20329   -52.65925
   79    77 S   HC   _H12    68     1.09594   110.17312  -171.22826
   80    75 S   CT   _C10    62     1.50815   119.21156   174.49861
   81    80 S   HC   _H14    63     1.09378   109.44831    90.02745
   82    80 S   HC   _H15    64     1.09359   109.91613  -151.02160
   83    80 S   HC   _H16    65     1.09230   110.02322   -28.86759
   84    77 S   SH   _S1_    69     1.82346   113.74791    67.89912
   85    84 S   HS   _H13    70     1.33930    95.76978   179.97202
  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  11   5   4  13   7  11   4   7   5   4  10   4
   3   2   1   1  10   7  11   4   4   2   1   1  10   4  10   7
  11   4   4   2   1   1  10   4  12   7   9   5   5   3   2   3
   2   1   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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    47    44    45    46    49  
   39    40    41    42    44  
   40    41    42    44  
   41    42    43    47    48    53    44    45    46    49    50    51    52  
   42    43    47    44    45    46    49  
   43    47    48    53    54    55    57    44    45    46    49  
   47    48    53    44  
   45    46    49    50    51    52    47  
   46    49    50    51    52  
   49    50    51    52  
   48    53    54    55    56    61    57    58    59    60  
   53    54    55    57  
   50    51    52  
   51    52  
   52  
    0  
   54    55    56    61    62    63    57    58    59    60  
   55    56    61    57    58    59    60  
   56    61    62    63    64    65    67    57    58    59    60  
   61    62    63    57  
   58    59    60    61  
   59    60  
   60  
    0  
   62    63    64    65    66    71    67    68    69    70  
   63    64    65    67  
   64    65    66    71    72    73    67    68    69    70  
   65    66    71    67    68    69    70  
   66    71    72    73    74    75    77    67    68    69    70  
   71    72    73    67  
   68    69    70    71  
   69    70  
   70  
    0  
   72    73    74    75    76    80    77    78    79    84  
   73    74    75    77  
   74    75    76    80    81    82    83    77    78    79    84    85  
   75    76    80    77    78    79    84  
   76    80    81    82    83    77    78    79    84  
   80    81    82    83    77  
   78    79    84    85    80  
   79    84    85  
   84    85  
   81    82    83  
   82    83  
   83  
    0  
   85  
    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   1.6450   1.4500   0.008598240   0.268726247
   39   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   40   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   42   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   44   3.2500   0.1700  -0.032500   2.1950   1.9500   0.003973653   1.685851020
   45   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
   46   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   48   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   49   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   53   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   55   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   57   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   62   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   63   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   65   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   66   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   67   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   72   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   73   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.5000   0.0660   0.060000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   3.6000   0.4250  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   85   0.5000   0.0300   0.155000   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   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   317.000  1.522
   40    44   367.000  1.471
   42    43   570.000  1.229
   42    47   490.000  1.335
   47    48   434.000  1.010
   47    53   337.000  1.449
   53    54   340.000  1.090
   53    55   317.000  1.522
   53    57   268.000  1.529
   55    56   570.000  1.229
   55    61   490.000  1.335
   61    62   434.000  1.010
   61    63   337.000  1.449
   63    64   340.000  1.090
   63    65   317.000  1.522
   63    67   268.000  1.529
   65    66   570.000  1.229
   65    71   490.000  1.335
   71    72   434.000  1.010
   71    73   337.000  1.449
   73    74   340.000  1.090
   73    75   255.000  1.522
   73    77   268.000  1.529
   75    76   570.000  1.229
   75    80   317.000  1.522
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    83   340.000  1.090
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    84   222.000  1.810
   84    85   274.000  1.336
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   44    45   434.000  1.010
   44    46   434.000  1.010
   44    49   367.000  1.471
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   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    63.00000  111.10000
   37    40    44    80.00000  111.20000
   39    37    38    33.00000  107.80000
   40    37    38    37.50000  110.70000
   40    37    39    37.50000  110.70000
   40    42    43    80.00000  120.40000
   40    42    47    70.00000  116.60000
   40    44    45    35.00000  109.50000
   40    44    46    35.00000  109.50000
   40    44    49    75.00000  113.01200
   42    40    41    35.00000  109.50000
   42    47    48    35.00000  119.80000
   42    47    53    50.00000  121.90000
   47    42    43    80.00000  122.90000
   47    53    54    35.00000  109.50000
   47    53    55    63.00000  110.10000
   47    53    57    80.00000  109.70000
   53    47    48    38.00000  118.40000
   53    55    56    80.00000  120.40000
   53    55    61    70.00000  116.60000
   53    57    58    37.50000  110.70000
   53    57    59    37.50000  110.70000
   53    57    60    37.50000  110.70000
   55    53    54    35.00000  109.50000
   55    61    62    35.00000  119.80000
   55    61    63    50.00000  121.90000
   61    55    56    80.00000  122.90000
   61    63    64    35.00000  109.50000
   61    63    65    63.00000  110.10000
   61    63    67    80.00000  109.70000
   63    61    62    38.00000  118.40000
   63    65    66    80.00000  120.40000
   63    65    71    70.00000  116.60000
   63    67    68    37.50000  110.70000
   63    67    69    37.50000  110.70000
   63    67    70    37.50000  110.70000
   65    63    64    35.00000  109.50000
   65    71    72    35.00000  119.80000
   65    71    73    50.00000  121.90000
   71    65    66    80.00000  122.90000
   71    73    74    35.00000  109.50000
   71    73    75    80.00000  110.29000
   71    73    77    80.00000  109.70000
   73    71    72    38.00000  118.40000
   73    75    76    75.00000  123.42600
   73    75    80    65.00000  117.09000
   73    77    78    37.50000  110.70000
   73    77    79    37.50000  110.70000
   73    77    84    50.00000  108.60000
   75    73    74    45.00000  110.09800
   75    80    81    35.00000  109.50000
   75    80    82    35.00000  109.50000
   75    80    83    35.00000  109.50000
   80    75    76    80.00000  120.40000
   82    80    81    33.00000  107.80000
   83    80    81    33.00000  107.80000
   83    80    82    33.00000  107.80000
   77    73    74    37.50000  110.70000
   77    73    75    70.00000  110.61500
   77    84    85    44.00000   96.00000
   79    77    78    33.00000  107.80000
   84    77    78    35.00000  109.50000
   84    77    79    35.00000  109.50000
   67    63    64    37.50000  110.70000
   67    63    65    63.00000  111.10000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   57    53    54    37.50000  110.70000
   57    53    55    63.00000  111.10000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   44    40    41    35.00000  109.50000
   44    40    42    80.00000  111.20000
   44    49    50    35.00000  109.50000
   44    49    51    35.00000  109.50000
   44    49    52    35.00000  109.50000
   46    44    45    35.00000  109.50000
   49    44    45    35.00000  109.50000
   49    44    46    35.00000  109.50000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    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   0.56750  1.0 1.0
   33    37    40    44  -0.07550 -1.0 2.0
   33    37    40    44   0.20000  1.0 3.0
   37    40    42    43   0.00000  1.0 1.0
   37    40    42    47   0.93250  1.0 1.0
   37    40    42    47   0.04450 -1.0 2.0
   37    40    42    47   0.17550  1.0 3.0
   37    40    44    45   0.17350  1.0 3.0
   37    40    44    46   0.17350  1.0 3.0
   37    40    44    49   0.47100  1.0 1.0
   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    47    48   2.45000 -1.0 2.0
   40    42    47    53   1.15000  1.0 1.0
   40    42    47    53   3.04450 -1.0 2.0
   40    44    49    50   0.15000  1.0 3.0
   40    44    49    51   0.15000  1.0 3.0
   40    44    49    52   0.15000  1.0 3.0
   41    40    42    43   0.00000  1.0 1.0
   41    40    42    47   0.00000  1.0 1.0
   41    40    44    45   0.13050  1.0 3.0
   41    40    44    46   0.13050  1.0 3.0
   41    40    44    49   0.15000  1.0 3.0
   42    40    44    45   0.17350  1.0 3.0
   42    40    44    46   0.17350  1.0 3.0
   42    40    44    49   0.47100  1.0 1.0
   42    47    53    54   0.00000  1.0 1.0
   42    47    53    55  -0.29800  1.0 1.0
   42    47    53    55   0.13950 -1.0 2.0
   42    47    53    55  -2.45650  1.0 3.0
   42    47    53    57   0.25950  1.0 1.0
   42    47    53    57   0.43850 -1.0 2.0
   42    47    53    57   2.61650  1.0 3.0
   43    42    47    48   2.45000 -1.0 2.0
   43    42    47    53   3.04450 -1.0 2.0
   47    53    55    56   0.00000  1.0 1.0
   47    53    55    61   0.37150  1.0 1.0
   47    53    55    61   1.25400 -1.0 2.0
   47    53    55    61  -0.40250  1.0 3.0
   47    53    57    58   0.23200  1.0 3.0
   47    53    57    59   0.23200  1.0 3.0
   47    53    57    60   0.23200  1.0 3.0
   48    47    53    54   0.00000  1.0 1.0
   48    47    53    55   0.00000  1.0 1.0
   48    47    53    57   0.00000  1.0 1.0
   53    55    61    62   2.45000 -1.0 2.0
   53    55    61    63   1.15000  1.0 1.0
   53    55    61    63   3.04450 -1.0 2.0
   54    53    55    56   0.00000  1.0 1.0
   54    53    55    61   0.00000  1.0 1.0
   54    53    57    58   0.15000  1.0 3.0
   54    53    57    59   0.15000  1.0 3.0
   54    53    57    60   0.15000  1.0 3.0
   55    53    57    58  -0.03800  1.0 3.0
   55    53    57    59  -0.03800  1.0 3.0
   55    53    57    60  -0.03800  1.0 3.0
   55    61    63    64   0.00000  1.0 1.0
   55    61    63    65  -0.29800  1.0 1.0
   55    61    63    65   0.13950 -1.0 2.0
   55    61    63    65  -2.45650  1.0 3.0
   55    61    63    67   0.25950  1.0 1.0
   55    61    63    67   0.43850 -1.0 2.0
   55    61    63    67   2.61650  1.0 3.0
   56    55    61    62   2.45000 -1.0 2.0
   56    55    61    63   3.04450 -1.0 2.0
   61    63    65    66   0.00000  1.0 1.0
   61    63    65    71   0.37150  1.0 1.0
   61    63    65    71   1.25400 -1.0 2.0
   61    63    65    71  -0.40250  1.0 3.0
   61    63    67    68   0.23200  1.0 3.0
   61    63    67    69   0.23200  1.0 3.0
   61    63    67    70   0.23200  1.0 3.0
   62    61    63    64   0.00000  1.0 1.0
   62    61    63    65   0.00000  1.0 1.0
   62    61    63    67   0.00000  1.0 1.0
   63    65    71    72   2.45000 -1.0 2.0
   63    65    71    73   1.15000  1.0 1.0
   63    65    71    73   3.04450 -1.0 2.0
   64    63    65    66   0.00000  1.0 1.0
   64    63    65    71   0.00000  1.0 1.0
   64    63    67    68   0.15000  1.0 3.0
   64    63    67    69   0.15000  1.0 3.0
   64    63    67    70   0.15000  1.0 3.0
   65    63    67    68  -0.03800  1.0 3.0
   65    63    67    69  -0.03800  1.0 3.0
   65    63    67    70  -0.03800  1.0 3.0
   65    71    73    74   0.00000  1.0 1.0
   65    71    73    75  -0.29800  1.0 1.0
   65    71    73    75   0.13950 -1.0 2.0
   65    71    73    75  -2.45650  1.0 3.0
   65    71    73    77   0.25950  1.0 1.0
   65    71    73    77   0.43850 -1.0 2.0
   65    71    73    77   2.61650  1.0 3.0
   66    65    71    72   2.45000 -1.0 2.0
   66    65    71    73   3.04450 -1.0 2.0
   71    73    75    76   0.00000  1.0 1.0
   71    73    75    80   0.65300  1.0 1.0
   71    73    75    80  -0.03850 -1.0 2.0
   71    73    75    80   0.33900  1.0 3.0
   71    73    77    78   0.23200  1.0 3.0
   71    73    77    79   0.23200  1.0 3.0
   71    73    77    84   0.71400  1.0 1.0
   71    73    77    84   0.04300 -1.0 2.0
   71    73    77    84   0.01450  1.0 3.0
   72    71    73    74   0.00000  1.0 1.0
   72    71    73    75   0.00000  1.0 1.0
   72    71    73    77   0.00000  1.0 1.0
   73    75    80    81   0.00000  1.0 1.0
   73    75    80    82   0.00000  1.0 1.0
   73    75    80    83   0.00000  1.0 1.0
   73    77    84    85  -0.37950  1.0 1.0
   73    77    84    85  -0.14100 -1.0 2.0
   73    77    84    85   0.30150  1.0 3.0
   74    73    75    76   0.00000  1.0 1.0
   74    73    75    80   0.00000  1.0 1.0
   74    73    77    78   0.15000  1.0 3.0
   74    73    77    79   0.15000  1.0 3.0
   74    73    77    84   0.22600  1.0 3.0
   75    73    77    78  -0.03800  1.0 3.0
   75    73    77    79  -0.03800  1.0 3.0
   75    73    77    84  -2.17200  1.0 1.0
   75    73    77    84  -0.85700 -1.0 2.0
   76    75    80    81   0.00000  1.0 1.0
   76    75    80    82   0.00000  1.0 1.0
   76    75    80    83   0.00000  1.0 1.0
   77    73    75    76   0.00000  1.0 1.0
   77    73    75    80   0.60050  1.0 1.0
   77    73    75    80   0.05600 -1.0 2.0
   77    73    75    80   0.26150  1.0 3.0
   78    77    84    85   0.22550  1.0 3.0
   79    77    84    85   0.22550  1.0 3.0
   67    63    65    66   0.00000  1.0 1.0
   67    63    65    71   0.93250  1.0 1.0
   67    63    65    71   0.04450 -1.0 2.0
   67    63    65    71   0.17550  1.0 3.0
   57    53    55    56   0.00000  1.0 1.0
   57    53    55    61   0.93250  1.0 1.0
   57    53    55    61   0.04450 -1.0 2.0
   57    53    55    61   0.17550  1.0 3.0
   44    40    42    43   0.00000  1.0 1.0
   44    40    42    47   0.37150  1.0 1.0
   44    40    42    47   1.25400 -1.0 2.0
   44    40    42    47  -0.40250  1.0 3.0
   45    44    49    50   0.13050  1.0 3.0
   45    44    49    51   0.13050  1.0 3.0
   45    44    49    52   0.13050  1.0 3.0
   46    44    49    50   0.13050  1.0 3.0
   46    44    49    51   0.13050  1.0 3.0
   46    44    49    52   0.13050  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    47    42    43  10.50000 -1.0 2.0
   48    42    47    53   1.00000 -1.0 2.0
   53    61    55    56  10.50000 -1.0 2.0
   62    55    61    63   1.00000 -1.0 2.0
   63    71    65    66  10.50000 -1.0 2.0
   72    65    71    73   1.00000 -1.0 2.0
   73    80    75    76  10.50000 -1.0 2.0
END
