* LIGAND DATABASE FILE (OPLS2005)
*
001      83    85    158    243     462
    1     0 S   NP   _N1_     1    28.66252    95.56377   -24.52513
    2     1 S   H    _HN1     2     1.02951    73.90249    20.28920
    3     1 S   H    _H1_     3     1.02829    34.65337  -176.95496
    4     1 S   H    _H2_     4     1.02785   109.78075   -83.87080
    5     1 S   CT   _CA1     5     1.50111   133.22518   123.39306
    6     5 S   HC   _HA1     6     1.09574   105.20221    90.87403
    7     5 S   CO3  _C1_     7     1.53796   112.45153   -29.36756
    8     7 S   O2Z  _O11     8     1.26373   115.00797   -42.71308
    9     7 S   O2Z  _O12     9     1.26242   114.94840   136.43307
   10     5 S   CT   _CB1    10     1.53083   107.42199  -151.14194
   11    10 S   HC   HB11    11     1.09832   109.38923   -49.74802
   12    10 S   HC   HB12    12     1.09814   110.44078    66.86664
   13    10 S   CT   _CG1    13     1.52982   112.59271  -170.73155
   14    13 S   HC   HG11    14     1.09586   110.60437   -65.16878
   15    13 S   HC   HG12    15     1.09670   109.81067    54.05589
   16    13 S   C    _CD1    16     1.51799   112.26856   174.51288
   17    16 S   O    _OE1    17     1.22727   123.30496     5.67105
   18    16 S   N    _N2_    18     1.38643   111.62697  -174.43275
   19    18 S   H    _HN2    19     1.01583   118.95319     1.82370
   20    18 S   CT1  _CA2    20     1.46200   123.43318   177.98617
   21    20 S   HC   _HA2    21     1.09737   109.34920     1.92020
   22    20 S   C    _C2_    22     1.53552   108.81508  -113.57642
   23    22 S   O    _O2_    23     1.23064   122.25109  -149.52945
   24    20 S   CT   _CB2    32     1.53334   111.44540   123.89737
   25    24 S   HC   HB21    33     1.09561   109.90364    55.34302
   26    24 S   HC   HB22    34     1.09428   110.06701   174.57245
   27    22 S   N    _N3_    24     1.38326   113.74199    38.03788
   28    27 S   H    _HN3    25     1.01587   119.56902    -3.49592
   29    24 S   S    _SG2    35     1.82830   111.37902   -65.50813
   30    27 S   CT   _CA3    26     1.45285   123.20555   177.03932
   31    30 S   HC   HA31    27     1.09551   107.52801   -64.08785
   32    30 S   HC   HA32    28     1.09558   107.96083    52.34195
   33    29 S   CT   _C16    36     1.86076   100.05249   171.32602
   34    33 S   HC   _H3_    37     1.09398   103.33886   -48.61338
   35    30 S   CO3  _C3_    29     1.52958   114.09138   174.32999
   36    35 S   O2Z  _O31    30     1.26375   116.07216    -0.50899
   37    35 S   O2Z  _O32    31     1.26431   114.41398   179.54243
   38    33 S   CT   _C13    38     1.54778   108.52878    69.14173
   39    38 S   HC   _H29    39     1.09443   110.99807   130.98234
   40    38 S   HC   _H30    40     1.09619   111.96218    12.73053
   41    33 S   CT   _C18    62     1.58078   113.00565  -162.51565
   42    38 S   CO4  _C10    41     1.52753   112.67474  -108.79281
   43    42 S   O    _O21    42     1.22852   124.03294    12.08671
   44    41 S   CT   _C22    63     1.55372   109.73894    56.28186
   45    44 S   HC   _H44    64     1.09488   112.30399   -67.22896
   46    44 S   HC   _H45    65     1.09643   111.26450   173.88474
   47    44 S   HC   _H46    66     1.09373   111.35095    53.56340
   48    41 S   CT   _C23    67     1.54995   111.45588   -61.55209
   49    48 S   HC   _H47    68     1.09450   112.29757    61.23823
   50    48 S   HC   _H48    69     1.09472   111.64820   -59.89028
   51    48 S   HC   _H49    70     1.09676   110.75051  -179.45535
   52    42 S   CM   _C7_    43     1.48534   116.87710  -171.79321
   53    52 S   CM   _C4_    44     1.34370   123.54943   111.96915
   54    53 S   HC   _H25    45     1.09348   114.50721   174.85136
   55    52 S   CT   _C19    80     1.50215   114.05358   -72.19639
   56    55 S   HC   _H35    81     1.09532   110.52933   -48.81455
   57    55 S   HC   _H36    82     1.09513   112.18112  -168.62187
   58    55 S   HC   _H37    83     1.09467   110.47224    71.25205
   59    53 S   CM   _C6_    46     1.44995   133.72154    -6.98643
   60    59 S   CM   _C5_    47     1.34613   120.33511   172.49214
   61    60 S   HC   _H26    48     1.08312   124.66439    -4.65105
   62    60 S   CT   _C15    49     1.49603   113.80944   172.17662
   63    62 S   HC   _H33    50     1.09617   110.05441  -128.72833
   64    62 S   CT   _C14    51     1.53153   101.94557   -12.77051
   65    64 S   HC   _H31    52     1.09671   111.96379   144.99186
   66    64 S   HC   _H32    53     1.09917   109.49360   -97.36360
   67    62 S   CT   _C21    76     1.52226   112.41728   109.63815
   68    67 S   HC   _H41    77     1.09400   112.33804   -55.58972
   69    67 S   HC   _H42    78     1.09507   110.55436  -176.19317
   70    67 S   HC   _H43    79     1.09567   110.59842    64.49858
   71    59 S   CT   _C17    54     1.50263   129.70290   -15.28761
   72    71 S   CO4  _C11    55     1.50828   117.81216    80.72844
   73    72 S   O    _O22    56     1.22052   126.72160    43.35193
   74    72 S   CM   _C8_    57     1.46605   109.42643  -138.51821
   75    74 S   CM   _C9_    58     1.33547   102.24597     9.64924
   76    74 S   CT   _C20    72     1.47501   124.15193  -171.65781
   77    76 S   HC   _H38    73     1.09407   110.60737   -73.19805
   78    76 S   HC   _H39    74     1.09285   111.67949   165.72245
   79    76 S   HC   _H40    75     1.09483   110.45894    46.68108
   80    75 S   CT   _C12    59     1.50139   128.23310   176.02448
   81    80 S   HC   _H27    60     1.09844   107.80615    52.47479
   82    80 S   HC   _H28    61     1.09969   106.59599   163.04843
   83    71 S   OS   _O23    71     1.43051   113.54939   -39.70480
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  20   8   2   1   1  11   5   4  15   9   3  11   4   3   2   7
   3   2   1   9  13   4   4   2   1   1  14  13   5  11   8  12
   5   4   4   2   1   1   7   9   4   9   8   5   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    80    41    44    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    42    43    52    75    80    81    82    41    44    45    46    47    48    49    50    51  
   38    39    40    42    80    41    44    48  
   36    37  
   37  
    0  
   39    40    42    43    52    53    80    41    44    48    55  
   40    42    43    52    41  
   42    43    52    41  
   44    45    46    47    48    49    50    51    83    42    74    75    80    81    82  
   43    52    53    54    59    55    56    57    58  
   52    53    55  
   45    46    47    48    49    50    51    75    80    81    82  
   46    47    48    80  
   47    48    80  
   48    80  
   49    50    51    75    80    81    82  
   50    51    80  
   51    80  
   80  
   53    54    59    60    71    55    56    57    58  
   54    59    60    61    62    64    71    72    83    55    56    57    58  
   59    60    71    55  
   56    57    58    59  
   57    58  
   58  
    0  
   60    61    62    63    64    65    66    71    72    73    74    75    83    67  
   61    62    63    64    65    66    71    72    83    67    68    69    70  
   62    63    64    71    67  
   63    64    65    66    71    72    83    67    68    69    70  
   64    65    66    71    67    68    69    70  
   65    66    71    72    73    74    75    83    67    68    69    70  
   66    71    72    83    67  
   71    72    83    67  
   68    69    70    71  
   69    70  
   70  
    0  
   72    73    74    75    80    83    76  
   73    74    75    80    83    76    77    78    79  
   74    75    83    76  
   75    80    81    82    83    76    77    78    79  
   80    81    82    83    76    77    78    79  
   77    78    79    80    83  
   78    79  
   79  
    0  
   81    82    83  
   82    83  
   83  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   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  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   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   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   3.5000   0.0660   0.317000   1.9750   1.7500   0.005000000  -0.741685710
   72   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   73   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   74   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   75   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   81   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    42   317.000  1.522
   42    43   570.000  1.229
   42    52   320.000  1.462
   52    53   549.000  1.340
   52    55   317.000  1.510
   53    54   340.000  1.080
   53    59   380.000  1.444
   59    60   549.000  1.340
   59    71   317.000  1.510
   60    61   340.000  1.080
   60    62   317.000  1.510
   62    63   340.000  1.090
   62    64   268.000  1.529
   62    67   268.000  1.529
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    71   268.000  1.529
   71    72   317.000  1.522
   71    83   320.000  1.410
   72    73   570.000  1.229
   72    74   320.000  1.462
   74    75   549.000  1.340
   74    76   317.000  1.510
   75    80   317.000  1.510
   75    83   440.000  1.360
   80    81   340.000  1.090
   80    82   340.000  1.090
   80    41   268.000  1.529
   41    44   268.000  1.529
   41    48   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    47   340.000  1.090
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    51   340.000  1.090
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    42    63.00000  111.10000
   33    41    80    58.35000  112.70000
   33    41    44    58.35000  112.70000
   33    41    48    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    42    43    80.00000  120.40000
   38    42    52    65.00000  118.62400
   40    38    39    33.00000  107.80000
   42    38    39    35.00000  109.50000
   42    38    40    35.00000  109.50000
   42    52    53    65.00000  118.96000
   42    52    55    65.00000  116.34900
   52    42    43    80.00000  123.72100
   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    70.00000  123.01800
   53    59    71    70.00000  124.00000
   59    53    54    35.00000  120.00000
   59    60    61    35.00000  120.00000
   59    60    62    70.00000  124.00000
   59    71    64    70.00000  112.02700
   59    71    72    70.00000  109.06800
   59    71    83    85.00000  110.90400
   60    62    63    35.00000  109.50000
   60    62    64    70.00000  112.02700
   60    62    67    70.00000  112.02700
   62    60    61    35.00000  117.00000
   62    64    65    37.50000  110.70000
   62    64    66    37.50000  110.70000
   62    64    71    58.35000  112.70000
   62    67    68    37.50000  110.70000
   62    67    69    37.50000  110.70000
   62    67    70    37.50000  110.70000
   64    62    63    37.50000  110.70000
   64    71    72    63.00000  111.10000
   64    71    83    50.00000  109.50000
   66    64    65    33.00000  107.80000
   71    59    60    70.00000  124.00000
   71    64    65    37.50000  110.70000
   71    64    66    37.50000  110.70000
   71    72    73    80.00000  120.40000
   71    72    74    65.00000  118.62400
   71    83    75    90.00000  111.18400
   72    74    75    65.00000  118.96000
   72    74    76    65.00000  116.34900
   74    72    73    80.00000  123.72100
   74    75    80    70.00000  124.00000
   74    75    83    80.00000  120.01400
   74    76    77    35.00000  109.50000
   74    76    78    35.00000  109.50000
   74    76    79    35.00000  109.50000
   75    80    81    35.00000  109.50000
   75    80    82    35.00000  109.50000
   75    80    41    70.00000  112.02700
   80    41    44    58.35000  112.70000
   80    41    48    58.35000  112.70000
   82    80    81    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    80    81    37.50000  110.70000
   41    80    82    37.50000  110.70000
   41    44    45    37.50000  110.70000
   41    44    46    37.50000  110.70000
   41    44    47    37.50000  110.70000
   41    48    49    37.50000  110.70000
   41    48    50    37.50000  110.70000
   41    48    51    37.50000  110.70000
   46    44    45    33.00000  107.80000
   47    44    45    33.00000  107.80000
   47    44    46    33.00000  107.80000
   48    41    44    58.35000  112.70000
   50    48    49    33.00000  107.80000
   51    48    49    33.00000  107.80000
   51    48    50    33.00000  107.80000
   83    71    72    90.00000  108.74100
   83    75    80    85.00000  112.85300
   76    74    75    70.00000  124.00000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   67    62    63    37.50000  110.70000
   67    62    64    58.35000  112.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    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
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    41    80   0.44750  1.0 1.0
   29    33    41    80  -0.17800 -1.0 2.0
   29    33    41    80   0.20200  1.0 3.0
   29    33    41    44   0.44750  1.0 1.0
   29    33    41    44  -0.17800 -1.0 2.0
   29    33    41    44   0.20200  1.0 3.0
   29    33    41    48   0.44750  1.0 1.0
   29    33    41    48  -0.17800 -1.0 2.0
   29    33    41    48   0.20200  1.0 3.0
   33    38    42    43   0.30150 -1.0 2.0
   33    38    42    52   0.65300  1.0 1.0
   33    38    42    52  -0.03850 -1.0 2.0
   33    38    42    52   0.33900  1.0 3.0
   33    41    44    45   0.15000  1.0 3.0
   33    41    44    46   0.15000  1.0 3.0
   33    41    44    47   0.15000  1.0 3.0
   33    41    48    49   0.15000  1.0 3.0
   33    41    48    50   0.15000  1.0 3.0
   33    41    48    51   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42  -0.11250  1.0 3.0
   34    33    41    80   0.15000  1.0 3.0
   34    33    41    44   0.15000  1.0 3.0
   34    33    41    48   0.15000  1.0 3.0
   38    33    41    80   0.56750  1.0 1.0
   38    33    41    80  -0.07550 -1.0 2.0
   38    33    41    80   0.20000  1.0 3.0
   38    33    41    44   0.56750  1.0 1.0
   38    33    41    44  -0.07550 -1.0 2.0
   38    33    41    44   0.20000  1.0 3.0
   38    33    41    48   0.56750  1.0 1.0
   38    33    41    48  -0.07550 -1.0 2.0
   38    33    41    48   0.20000  1.0 3.0
   38    42    52    53  -0.33500  1.0 1.0
   38    42    52    53   1.06600 -1.0 2.0
   38    42    52    53  -0.14000  1.0 3.0
   38    42    52    55   0.25700  1.0 1.0
   38    42    52    55   0.66200 -1.0 2.0
   38    42    52    55   0.04450  1.0 3.0
   39    38    42    43   0.00000  1.0 1.0
   39    38    42    52   0.00000  1.0 1.0
   40    38    42    43   0.00000  1.0 1.0
   40    38    42    52   0.00000  1.0 1.0
   42    52    53    54   7.00000 -1.0 2.0
   42    52    53    59   7.00000 -1.0 2.0
   42    52    55    56   0.15000  1.0 3.0
   42    52    55    57   0.15000  1.0 3.0
   42    52    55    58   0.15000  1.0 3.0
   43    42    52    53   1.00000 -1.0 2.0
   43    42    52    55  -0.64400  1.0 1.0
   43    42    52    55   0.26850 -1.0 2.0
   52    53    59    60   0.28850  1.0 1.0
   52    53    59    60   2.61350 -1.0 2.0
   52    53    59    60   0.78400  1.0 3.0
   52    53    59    71  -0.18600  1.0 3.0
   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    60    61   7.00000 -1.0 2.0
   53    59    60    62   7.00000 -1.0 2.0
   53    59    71    64   0.98200  1.0 1.0
   53    59    71    64  -0.11900 -1.0 2.0
   53    59    71    64   0.24250  1.0 3.0
   53    59    71    72  -0.51250  1.0 1.0
   53    59    71    72  -0.88800 -1.0 2.0
   53    59    71    72   0.08850  1.0 3.0
   53    59    71    83   0.39000  1.0 1.0
   53    59    71    83  -0.05800 -1.0 2.0
   53    59    71    83  -0.55150  1.0 3.0
   54    53    59    60  -0.18600  1.0 3.0
   54    53    59    71   0.00000  1.0 1.0
   59    60    62    63   0.00000  1.0 1.0
   59    60   -62    64   0.09850  1.0 1.0
   59    60   -62    64   0.15250 -1.0 2.0
   59    60   -62    64  -0.50650  1.0 3.0
   59    60    62    67   0.09850  1.0 1.0
   59    60    62    67   0.15250 -1.0 2.0
   59    60    62    67  -0.50650  1.0 3.0
   59    71    72    73   0.30150 -1.0 2.0
   59    71    72    74   0.65300  1.0 1.0
   59    71    72    74  -0.03850 -1.0 2.0
   59    71    72    74   0.33900  1.0 3.0
   59    71    83    75  -0.48150  1.0 1.0
   59    71    83    75   0.09250 -1.0 2.0
   59    71    83    75  -0.12850  1.0 3.0
   60    59   -71    64   0.09850  1.0 1.0
   60    59   -71    64   0.15250 -1.0 2.0
   60    59   -71    64  -0.50650  1.0 3.0
   60    59    71    72  -0.51250  1.0 1.0
   60    59    71    72  -0.88800 -1.0 2.0
   60    59    71    72   0.08850  1.0 3.0
   60    59    71    83   0.39000  1.0 1.0
   60    59    71    83  -0.05800 -1.0 2.0
   60    59    71    83  -0.55150  1.0 3.0
   60    62    64    65   0.15000  1.0 3.0
   60    62    64    66   0.15000  1.0 3.0
   60    62   -64    71   0.34400  1.0 1.0
   60    62   -64    71   0.09450 -1.0 2.0
   60    62   -64    71   0.11100  1.0 3.0
   60    62    67    68   0.15000  1.0 3.0
   60    62    67    69   0.15000  1.0 3.0
   60    62    67    70   0.15000  1.0 3.0
   61    60    62    63   0.33100  1.0 3.0
   61    60    62    64   0.00000  1.0 1.0
   61    60    62    67   0.00000  1.0 1.0
   62    64   -71    59   0.34400  1.0 1.0
   62    64   -71    59   0.09450 -1.0 2.0
   62    64   -71    59   0.11100  1.0 3.0
   62    64    71    72  -0.95700  1.0 1.0
   62    64    71    72  -0.18200 -1.0 2.0
   62    64    71    72   0.29450  1.0 3.0
   62    64    71    83   0.62750  1.0 1.0
   62    64    71    83  -0.30950 -1.0 2.0
   62    64    71    83   0.27300  1.0 3.0
   63    62    64    65   0.15000  1.0 3.0
   63    62    64    66   0.15000  1.0 3.0
   63    62    64    71   0.15000  1.0 3.0
   63    62    67    68   0.15000  1.0 3.0
   63    62    67    69   0.15000  1.0 3.0
   63    62    67    70   0.15000  1.0 3.0
   64    62    67    68   0.15000  1.0 3.0
   64    62    67    69   0.15000  1.0 3.0
   64    62    67    70   0.15000  1.0 3.0
   64    71    72    73   0.30150 -1.0 2.0
   64    71    72    74   0.65300  1.0 1.0
   64    71    72    74  -0.03850 -1.0 2.0
   64    71    72    74   0.33900  1.0 3.0
   64    71    83    75  -0.46850  1.0 1.0
   64    71    83    75   0.09300 -1.0 2.0
   64    71    83    75  -0.12850  1.0 3.0
   65    64    71    59   0.15000  1.0 3.0
   65    64    71    72  -0.11250  1.0 3.0
   65    64    71    83   0.23400  1.0 3.0
   66    64    71    59   0.15000  1.0 3.0
   66    64    71    72  -0.11250  1.0 3.0
   66    64    71    83   0.23400  1.0 3.0
   71    59    60    61   7.00000 -1.0 2.0
   71    59   -60    62   7.00000 -1.0 2.0
   71    72   -74    75  -0.33500  1.0 1.0
   71    72   -74    75   1.06600 -1.0 2.0
   71    72   -74    75  -0.14000  1.0 3.0
   71    72    74    76   0.25700  1.0 1.0
   71    72    74    76   0.66200 -1.0 2.0
   71    72    74    76   0.04450  1.0 3.0
   72    71   -83    75  -0.48150  1.0 1.0
   72    71   -83    75   0.09250 -1.0 2.0
   72    71   -83    75  -0.12850  1.0 3.0
   72    74    75    80   7.00000 -1.0 2.0
   72    74   -75    83   7.00000 -1.0 2.0
   72    74    76    77   0.15000  1.0 3.0
   72    74    76    78   0.15000  1.0 3.0
   72    74    76    79   0.15000  1.0 3.0
   73    72    74    75   1.00000 -1.0 2.0
   73    72    74    76  -0.64400  1.0 1.0
   73    72    74    76   0.26850 -1.0 2.0
   74    75    80    81   0.00000  1.0 1.0
   74    75    80    82   0.00000  1.0 1.0
   74    75    80    41   0.09850  1.0 1.0
   74    75    80    41   0.15250 -1.0 2.0
   74    75    80    41  -0.50650  1.0 3.0
   74    75   -83    71  -2.26850  1.0 1.0
   74    75   -83    71   3.39050 -1.0 2.0
   75    74    76    77   0.00000  1.0 1.0
   75    74    76    78   0.00000  1.0 1.0
   75    74    76    79   0.00000  1.0 1.0
   75    80    41    33   0.34400  1.0 1.0
   75    80    41    33   0.09450 -1.0 2.0
   75    80    41    33   0.11100  1.0 3.0
   75    80    41    44   0.34400  1.0 1.0
   75    80    41    44   0.09450 -1.0 2.0
   75    80    41    44   0.11100  1.0 3.0
   75    80    41    48   0.34400  1.0 1.0
   75    80    41    48   0.09450 -1.0 2.0
   75    80    41    48   0.11100  1.0 3.0
   80    75    83    71   2.00000 -1.0 2.0
   80    41    44    45   0.15000  1.0 3.0
   80    41    44    46   0.15000  1.0 3.0
   80    41    44    47   0.15000  1.0 3.0
   80    41    48    49   0.15000  1.0 3.0
   80    41    48    50   0.15000  1.0 3.0
   80    41    48    51   0.15000  1.0 3.0
   81    80    41    33   0.15000  1.0 3.0
   81    80    41    44   0.15000  1.0 3.0
   81    80    41    48   0.15000  1.0 3.0
   82    80    41    33   0.15000  1.0 3.0
   82    80    41    44   0.15000  1.0 3.0
   82    80    41    48   0.15000  1.0 3.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    42  -0.95700  1.0 1.0
   41    33    38    42  -0.18200 -1.0 2.0
   41    33    38    42   0.29450  1.0 3.0
   44    41    48    49   0.15000  1.0 3.0
   44    41    48    50   0.15000  1.0 3.0
   44    41    48    51   0.15000  1.0 3.0
   48    41    44    45   0.15000  1.0 3.0
   48    41    44    46   0.15000  1.0 3.0
   48    41    44    47   0.15000  1.0 3.0
   83    71    72    73   0.30150 -1.0 2.0
   83    71   -72    74   0.65300  1.0 1.0
   83    71   -72    74  -0.03850 -1.0 2.0
   83    71   -72    74   0.33900  1.0 3.0
   83    75    80    81   0.00000  1.0 1.0
   83    75    80    82   0.00000  1.0 1.0
   83    75    80    41   0.09700  1.0 1.0
   83    75    80    41   0.15600 -1.0 2.0
   83    75    80    41  -0.50800  1.0 3.0
   76    74    75    80   7.00000 -1.0 2.0
   76    74    75    83   7.00000 -1.0 2.0
   67    62    64    65   0.15000  1.0 3.0
   67    62    64    66   0.15000  1.0 3.0
   67    62    64    71   0.56750  1.0 1.0
   67    62    64    71  -0.07550 -1.0 2.0
   67    62    64    71   0.20000  1.0 3.0
   55    52    53    54   7.00000 -1.0 2.0
   55    52    53    59   7.00000 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   38    52    42    43  10.50000 -1.0 2.0
   42    55    52    53   1.10000 -1.0 2.0
   59    54    53    52   1.10000 -1.0 2.0
   53    71    59    60   1.10000 -1.0 2.0
   62    61    60    59   1.10000 -1.0 2.0
   71    74    72    73  10.50000 -1.0 2.0
   72    76    74    75   1.10000 -1.0 2.0
   80    83    75    74   1.10000 -1.0 2.0
END
