* LIGAND DATABASE FILE (OPLS2005)
*
001      84    84    151    224     440
    1     0 S   NP   _N1_     1    28.84023    97.37884   -21.25850
    2     1 S   H    _HN1     2     1.02787    91.33382   -94.10633
    3     1 S   H    _H1_     3     1.02949    68.63335    15.12265
    4     1 S   H    _H2_     4     1.02828    49.66648   153.35670
    5     1 S   CT   _CA1     5     1.50107   154.52368   107.96423
    6     5 S   HC   _HA1     6     1.09572   105.19806    94.71251
    7     5 S   CO3  _C1_     7     1.53791   112.47509   -25.53916
    8     7 S   O2Z  _O11     8     1.26373   115.00925   -42.45032
    9     7 S   O2Z  _O12     9     1.26240   114.94851   136.70909
   10     5 S   CT   _CB1    10     1.53080   107.42516  -147.28837
   11    10 S   HC   HB11    11     1.09833   109.38857   -49.61626
   12    10 S   HC   HB12    12     1.09812   110.44412    67.00124
   13    10 S   CT   _CG1    13     1.52987   112.59239  -170.58226
   14    13 S   HC   HG11    14     1.09581   110.64000   -65.52781
   15    13 S   HC   HG12    15     1.09671   109.77412    53.69841
   16    13 S   C    _CD1    16     1.51800   112.22985   174.17863
   17    16 S   O    _OE1    17     1.22733   123.26728     7.25837
   18    16 S   N    _N2_    18     1.38626   111.63319  -172.78996
   19    18 S   H    _HN2    19     1.01577   119.03365     1.67771
   20    18 S   CT1  _CA2    20     1.46313   123.52957   177.87026
   21    20 S   HC   _HA2    21     1.09744   109.23504     5.34111
   22    20 S   C    _C2_    22     1.53680   109.07886  -110.06187
   23    22 S   O    _O2_    23     1.23059   122.28826  -152.40561
   24    20 S   CT   _CB2    32     1.53507   111.25175   127.20266
   25    24 S   HC   HB21    33     1.09327   109.32961    55.70418
   26    24 S   HC   HB22    34     1.09440   109.94855   174.68570
   27    22 S   N    _N3_    24     1.38349   113.90226    35.27294
   28    27 S   H    _HN3    25     1.01545   119.55914    -3.59880
   29    24 S   S    _SG2    35     1.83242   110.70790   -65.83809
   30    27 S   CT   _CA3    26     1.45270   123.23503   177.04653
   31    30 S   HC   HA31    27     1.09549   107.54487   -63.96475
   32    30 S   HC   HA32    28     1.09556   107.95795    52.48053
   33    29 S   CT   _C19    36     1.89088   102.11099   169.11412
   34    30 S   CO3  _C3_    29     1.52956   114.06447   174.46438
   35    34 S   O2Z  _O31    30     1.26380   116.08240    -0.09891
   36    34 S   O2Z  _O32    31     1.26429   114.41400   179.94405
   37    33 S   CM   _C18    37     1.53576   105.32571   172.21538
   38    37 S   HC   _H22    38     1.09136   115.99694    10.08214
   39    33 S   CM   _C21    76     1.51314   106.65999    54.66285
   40    39 S   HC   _H26    77     1.09343   115.96287    64.38813
   41    33 S   CT   _C20    81     1.53803   107.23763   -73.04819
   42    41 S   HC   _H23    82     1.09356   113.31937    57.51555
   43    41 S   HC   _H24    83     1.09593   111.63281   178.14491
   44    41 S   HC   _H25    84     1.09800   111.43421   -62.87160
   45    37 S   CM   _C17    39     1.34681   130.08754  -171.06935
   46    45 S   HC   _H21    40     1.08630   115.65127  -180.00000
   47    39 S   CMA  _C22    78     1.51200   126.61037  -121.71331
   48    47 S   OM   _O33    79     1.26252   119.24987  -139.39087
   49    47 S   OM   _O34    80     1.26087   122.48880    42.79847
   50    45 S   CM   _C16    41     1.44859   127.36946    -1.08318
   51    50 S   HC   _H20    42     1.08699   114.71487    -3.75932
   52    50 S   CM   _C15    43     1.35105   128.51584   176.83622
   53    52 S   CM   _C14    44     1.46203   124.25337    -0.74230
   54    53 S   HC   _H19    45     1.08662   116.78102    -0.57743
   55    52 S   CT   _C23    72     1.51191   118.35258   179.70459
   56    55 S   HC   _H27    73     1.09558   110.70478  -119.31475
   57    55 S   HC   _H28    74     1.09558   110.72317   119.67978
   58    55 S   HC   _H29    75     1.09587   112.43963     0.18238
   59    53 S   CM   _C13    46     1.34493   126.31534   179.37756
   60    59 S   HC   _H18    47     1.08572   121.30592    -1.14398
   61    59 S   CM   _C6_    48     1.46198   123.43681  -179.24801
   62    61 S   CM   _C5_    49     1.35599   121.78402   -68.22145
   63    62 S   CT   _C10    50     1.51298   122.54310   176.69115
   64    63 S   HC   _H10    51     1.09760   108.19831   109.20323
   65    63 S   HC   _H11    52     1.09695   109.74533  -134.52374
   66    62 S   CT   _C4_    68     1.51061   124.76904    -4.21357
   67    66 S   HC   _H3_    69     1.09486   110.04530   110.44548
   68    66 S   HC   _H4_    70     1.09290   113.73899   -11.07974
   69    66 S   HC   _H5_    71     1.09571   109.97909  -130.32114
   70    63 S   CT   _C9_    53     1.52274   114.42653   -12.68652
   71    70 S   HC   _H8_    54     1.09617   109.50783   164.56833
   72    70 S   HC   _H9_    55     1.09609   110.03184   -78.70238
   73    70 S   CT   _C8_    56     1.52010   110.31259    43.39478
   74    73 S   HC   _H6_    57     1.09903   108.43481    61.45276
   75    73 S   HC   _H7_    58     1.09739   109.35677   176.82664
   76    61 S   CT   _C7_    59     1.54336   115.54871   111.41300
   77    76 S   CT   _C11    60     1.54579   109.19869   -71.87519
   78    77 S   HC   _H12    61     1.09614   111.09740  -174.79444
   79    77 S   HC   _H13    62     1.09622   111.60067    65.82992
   80    77 S   HC   _H14    63     1.09549   111.89667   -54.39393
   81    76 S   CT   _C12    64     1.54672   112.38038    48.17471
   82    81 S   HC   _H15    65     1.09656   110.95022   174.09200
   83    81 S   HC   _H16    66     1.09625   111.23476    54.28336
   84    81 S   HC   _H17    67     1.09578   112.11232   -66.58423
  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  11   5   4   3
  14   2   1   1  13   5   9   4   5   2   1   1   6   3   2   1
   1   9   3   9  10   4   4   2   1   1   9   3  21  14  13   6
   5   5   2   1   1   8   5   4  11   4   3   8   7   3   2   1
   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    45    39    40    47    41    42    43    44  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    45    46    50    39    40    47    48    49    41    42    43    44  
   35    36  
   36  
    0  
   38    45    46    50    51    52    39    40    47    41    42    43    44  
   45    46    50    39    41  
   40    47    48    49    41    42    43    44    45  
   47    48    49    41  
   42    43    44    45    47  
   43    44  
   44  
    0  
   46    50    51    52    53    55  
   50    51    52  
   48    49  
   49  
    0  
   51    52    53    54    59    55    56    57    58  
   52    53    55  
   53    54    59    60    61    55    56    57    58  
   54    59    60    61    62    76    55    56    57    58  
   59    60    61    55  
   56    57    58    59  
   57    58  
   58  
    0  
   60    61    62    63    73    76    77    81    66  
   61    62    76  
   62    63    64    65    70    73    74    75    76    77    78    79    80    81    82    83    84    66    67    68    69  
   63    64    65    70    71    72    73    76    77    81    66    67    68    69  
   64    65    70    71    72    73    74    75    76    66    67    68    69  
   65    70    71    72    73    66  
   70    71    72    73    66  
   67    68    69    70    76  
   68    69  
   69  
    0  
   71    72    73    74    75    76    77    81  
   72    73    74    75    76  
   73    74    75    76  
   74    75    76    77    78    79    80    81    82    83    84  
   75    76    77    81  
   76    77    81  
   77    78    79    80    81    82    83    84  
   78    79    80    81    82    83    84  
   79    80    81  
   80    81  
   81  
   82    83    84  
   83    84  
   84  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   48   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   49   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   60   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   62   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   77   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   317.000  1.510
   33    39   317.000  1.510
   33    41   268.000  1.529
   37    38   340.000  1.080
   37    45   549.000  1.340
   45    46   340.000  1.080
   45    50   380.000  1.444
   50    51   340.000  1.080
   50    52   549.000  1.340
   52    53   380.000  1.444
   52    55   317.000  1.510
   53    54   340.000  1.080
   53    59   549.000  1.340
   59    60   340.000  1.080
   59    61   380.000  1.444
   61    62   549.000  1.340
   61    76   317.000  1.510
   62    63   317.000  1.510
   62    66   317.000  1.510
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    70   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   268.000  1.529
   76    77   268.000  1.529
   76    81   268.000  1.529
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   66    67   340.000  1.090
   66    68   340.000  1.090
   66    69   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   39    40   340.000  1.080
   39    47   465.000  1.376
   47    48   745.000  1.250
   47    49   745.000  1.250
   41    42   340.000  1.090
   41    43   340.000  1.090
   41    44   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    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  112.20000
   29    33    39    75.00000  112.20000
   29    33    41    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    45    70.00000  124.00000
   33    39    40    35.00000  117.00000
   33    39    47    70.00000  124.00000
   33    41    42    37.50000  110.70000
   33    41    43    37.50000  110.70000
   33    41    44    37.50000  110.70000
   37    45    46    35.00000  120.00000
   37    45    50    70.00000  123.01800
   45    37    38    35.00000  120.00000
   45    50    51    35.00000  120.00000
   45    50    52    70.00000  123.01800
   50    45    46    35.00000  120.00000
   50    52    53    70.00000  123.01800
   50    52    55    70.00000  124.00000
   52    50    51    35.00000  120.00000
   52    53    54    35.00000  120.00000
   52    53    59    70.00000  123.01800
   52    55    56    35.00000  109.50000
   52    55    57    35.00000  109.50000
   52    55    58    35.00000  109.50000
   53    59    60    35.00000  120.00000
   53    59    61    70.00000  123.01800
   59    53    54    35.00000  120.00000
   59    61    62    70.00000  123.01800
   59    61    76    70.00000  124.00000
   61    59    60    35.00000  120.00000
   61    62    63    70.00000  124.00000
   61    62    66    70.00000  124.00000
   61    76    73    70.00000  112.02700
   61    76    77    70.00000  112.02700
   61    76    81    70.00000  112.02700
   62    63    64    35.00000  109.50000
   62    63    65    35.00000  109.50000
   62    63    70    70.00000  112.02700
   62    66    67    35.00000  109.50000
   62    66    68    35.00000  109.50000
   62    66    69    35.00000  109.50000
   63    70    71    37.50000  110.70000
   63    70    72    37.50000  110.70000
   63    70    73    58.35000  112.70000
   65    63    64    33.00000  107.80000
   70    63    64    37.50000  110.70000
   70    63    65    37.50000  110.70000
   70    73    74    37.50000  110.70000
   70    73    75    37.50000  110.70000
   70    73    76    58.35000  112.70000
   72    70    71    33.00000  107.80000
   73    70    71    37.50000  110.70000
   73    70    72    37.50000  110.70000
   73    76    77    58.35000  112.70000
   73    76    81    58.35000  112.70000
   75    73    74    33.00000  107.80000
   76    61    62    70.00000  124.00000
   76    73    74    37.50000  110.70000
   76    73    75    37.50000  110.70000
   76    77    78    37.50000  110.70000
   76    77    79    37.50000  110.70000
   76    77    80    37.50000  110.70000
   76    81    82    37.50000  110.70000
   76    81    83    37.50000  110.70000
   76    81    84    37.50000  110.70000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   81    76    77    58.35000  112.70000
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   66    62    63    65.00000  117.92700
   68    66    67    33.00000  107.80000
   69    66    67    33.00000  107.80000
   69    66    68    33.00000  107.80000
   55    52    53    70.00000  124.00000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   39    33    37    70.00000  110.12100
   39    47    48    65.00000  137.10300
   39    47    49    65.00000  137.10300
   47    39    40    40.00000  120.50800
   49    47    48    65.00000  121.00000
   41    33    37    70.00000  112.02700
   41    33    39    70.00000  112.02700
   43    41    42    33.00000  107.80000
   44    41    42    33.00000  107.80000
   44    41    43    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    45   0.42700  1.0 1.0
   29    33    37    45  -0.70350 -1.0 2.0
   29    33    37    45  -0.43150  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    47   0.42700  1.0 1.0
   29    33    39    47  -0.70350 -1.0 2.0
   29    33    39    47  -0.43150  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   29    33    41    44   0.15000  1.0 3.0
   33    37    45    46   7.00000 -1.0 2.0
   33    37    45    50   7.00000 -1.0 2.0
   33    39    47    48   7.00000 -1.0 2.0
   33    39    47    49   7.00000 -1.0 2.0
   37    33    39    40   0.00000  1.0 1.0
   37    33    39    47  -0.28300  1.0 1.0
   37    33    39    47   0.26700 -1.0 2.0
   37    33    39    47  -0.63300  1.0 3.0
   37    33    41    42   0.15000  1.0 3.0
   37    33    41    43   0.15000  1.0 3.0
   37    33    41    44   0.15000  1.0 3.0
   37    45    50    51  -0.18600  1.0 3.0
   37    45    50    52   0.28850  1.0 1.0
   37    45    50    52   2.61350 -1.0 2.0
   37    45    50    52   0.78400  1.0 3.0
   38    37    45    46   7.00000 -1.0 2.0
   38    37    45    50   7.00000 -1.0 2.0
   45    50    52    53   7.00000 -1.0 2.0
   45    50    52    55   7.00000 -1.0 2.0
   46    45    50    51   0.00000  1.0 1.0
   46    45    50    52  -0.18600  1.0 3.0
   50    52    53    54  -0.18600  1.0 3.0
   50    52    53    59   0.28850  1.0 1.0
   50    52    53    59   2.61350 -1.0 2.0
   50    52    53    59   0.78400  1.0 3.0
   50    52    55    56   0.00000  1.0 1.0
   50    52    55    57   0.00000  1.0 1.0
   50    52    55    58   0.00000  1.0 1.0
   51    50    52    53   7.00000 -1.0 2.0
   51    50    52    55   7.00000 -1.0 2.0
   52    53    59    60   7.00000 -1.0 2.0
   52    53    59    61   7.00000 -1.0 2.0
   53    52    55    56   0.00000  1.0 1.0
   53    52    55    57   0.00000  1.0 1.0
   53    52    55    58   0.00000  1.0 1.0
   53    59    61    62   0.28850  1.0 1.0
   53    59    61    62   2.61350 -1.0 2.0
   53    59    61    62   0.78400  1.0 3.0
   53    59    61    76  -0.18600  1.0 3.0
   54    53    59    60   7.00000 -1.0 2.0
   54    53    59    61   7.00000 -1.0 2.0
   59    61    62    63   7.00000 -1.0 2.0
   59    61    62    66   7.00000 -1.0 2.0
   59    61    76    73   0.98200  1.0 1.0
   59    61    76    73  -0.11900 -1.0 2.0
   59    61    76    73   0.24250  1.0 3.0
   59    61    76    77   0.98200  1.0 1.0
   59    61    76    77  -0.11900 -1.0 2.0
   59    61    76    77   0.24250  1.0 3.0
   59    61    76    81   0.98200  1.0 1.0
   59    61    76    81  -0.11900 -1.0 2.0
   59    61    76    81   0.24250  1.0 3.0
   60    59    61    62  -0.18600  1.0 3.0
   60    59    61    76   0.00000  1.0 1.0
   61    62    63    64   0.00000  1.0 1.0
   61    62    63    65   0.00000  1.0 1.0
   61    62    63    70   0.09850  1.0 1.0
   61    62    63    70   0.15250 -1.0 2.0
   61    62    63    70  -0.50650  1.0 3.0
   61    62    66    67   0.00000  1.0 1.0
   61    62    66    68   0.00000  1.0 1.0
   61    62    66    69   0.00000  1.0 1.0
   61    76    77    78   0.15000  1.0 3.0
   61    76    77    79   0.15000  1.0 3.0
   61    76    77    80   0.15000  1.0 3.0
   61    76    81    82   0.15000  1.0 3.0
   61    76    81    83   0.15000  1.0 3.0
   61    76    81    84   0.15000  1.0 3.0
   62    61    76    73   0.09850  1.0 1.0
   62    61    76    73   0.15250 -1.0 2.0
   62    61    76    73  -0.50650  1.0 3.0
   62    61    76    77   0.09850  1.0 1.0
   62    61    76    77   0.15250 -1.0 2.0
   62    61    76    77  -0.50650  1.0 3.0
   62    61    76    81   0.09850  1.0 1.0
   62    61    76    81   0.15250 -1.0 2.0
   62    61    76    81  -0.50650  1.0 3.0
   62    63    70    71   0.15000  1.0 3.0
   62    63    70    72   0.15000  1.0 3.0
   62    63   -70    73   0.34400  1.0 1.0
   62    63   -70    73   0.09450 -1.0 2.0
   62    63   -70    73   0.11100  1.0 3.0
   63    62    66    67   0.34800  1.0 3.0
   63    62    66    68   0.34800  1.0 3.0
   63    62    66    69   0.34800  1.0 3.0
   63    70    73    74   0.15000  1.0 3.0
   63    70    73    75   0.15000  1.0 3.0
   63    70    73    76   0.56750  1.0 1.0
   63    70    73    76  -0.07550 -1.0 2.0
   63    70    73    76   0.20000  1.0 3.0
   64    63    70    71   0.15000  1.0 3.0
   64    63    70    72   0.15000  1.0 3.0
   64    63    70    73   0.15000  1.0 3.0
   65    63    70    71   0.15000  1.0 3.0
   65    63    70    72   0.15000  1.0 3.0
   65    63    70    73   0.15000  1.0 3.0
   70    73   -76    61   0.34400  1.0 1.0
   70    73   -76    61   0.09450 -1.0 2.0
   70    73   -76    61   0.11100  1.0 3.0
   70    73    76    77   0.56750  1.0 1.0
   70    73    76    77  -0.07550 -1.0 2.0
   70    73    76    77   0.20000  1.0 3.0
   70    73    76    81   0.56750  1.0 1.0
   70    73    76    81  -0.07550 -1.0 2.0
   70    73    76    81   0.20000  1.0 3.0
   71    70    73    74   0.15000  1.0 3.0
   71    70    73    75   0.15000  1.0 3.0
   71    70    73    76   0.15000  1.0 3.0
   72    70    73    74   0.15000  1.0 3.0
   72    70    73    75   0.15000  1.0 3.0
   72    70    73    76   0.15000  1.0 3.0
   73    76    77    78   0.15000  1.0 3.0
   73    76    77    79   0.15000  1.0 3.0
   73    76    77    80   0.15000  1.0 3.0
   73    76    81    82   0.15000  1.0 3.0
   73    76    81    83   0.15000  1.0 3.0
   73    76    81    84   0.15000  1.0 3.0
   74    73    76    61   0.15000  1.0 3.0
   74    73    76    77   0.15000  1.0 3.0
   74    73    76    81   0.15000  1.0 3.0
   75    73    76    61   0.15000  1.0 3.0
   75    73    76    77   0.15000  1.0 3.0
   75    73    76    81   0.15000  1.0 3.0
   76    61   -62    63   7.00000 -1.0 2.0
   76    61    62    66   7.00000 -1.0 2.0
   77    76    81    82   0.15000  1.0 3.0
   77    76    81    83   0.15000  1.0 3.0
   77    76    81    84   0.15000  1.0 3.0
   81    76    77    78   0.15000  1.0 3.0
   81    76    77    79   0.15000  1.0 3.0
   81    76    77    80   0.15000  1.0 3.0
   66    62    63    64   0.34800  1.0 3.0
   66    62    63    65   0.34800  1.0 3.0
   66    62    63    70   0.46850  1.0 1.0
   66    62    63    70   0.08550 -1.0 2.0
   66    62    63    70   0.09800  1.0 3.0
   55    52    53    54   0.00000  1.0 1.0
   55    52    53    59  -0.18600  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    45  -0.28300  1.0 1.0
   39    33    37    45   0.26700 -1.0 2.0
   39    33    37    45  -0.63300  1.0 3.0
   39    33    41    42   0.15000  1.0 3.0
   39    33    41    43   0.15000  1.0 3.0
   39    33    41    44   0.15000  1.0 3.0
   40    39    47    48   7.00000 -1.0 2.0
   40    39    47    49   7.00000 -1.0 2.0
   41    33    37    38   0.00000  1.0 1.0
   41    33    37    45   0.09850  1.0 1.0
   41    33    37    45   0.15250 -1.0 2.0
   41    33    37    45  -0.50650  1.0 3.0
   41    33    39    40   0.00000  1.0 1.0
   41    33    39    47   0.09850  1.0 1.0
   41    33    39    47   0.15250 -1.0 2.0
   41    33    39    47  -0.50650  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
   33    38    37    45  15.00000 -1.0 2.0
   50    46    45    37  15.00000 -1.0 2.0
   45    51    50    52  15.00000 -1.0 2.0
   53    55    52    50  15.00000 -1.0 2.0
   52    54    53    59  15.00000 -1.0 2.0
   61    60    59    53  15.00000 -1.0 2.0
   59    76    61    62   1.10000 -1.0 2.0
   63    66    62    61   1.10000 -1.0 2.0
   33    40    39    47  15.00000 -1.0 2.0
   48    49    47    39  15.00000 -1.0 2.0
END
