* LIGAND DATABASE FILE (OPLS2005)
*
001      83    84    148    225     433
    1     0 S   NP   _N1_     1    28.53491    95.99851   -23.50135
    2     1 S   H    _HN1     2     1.02785   103.30351   -93.48547
    3     1 S   H    _H1_     3     1.02951    75.84784    12.43337
    4     1 S   H    _H2_     4     1.02828    35.26669   164.24134
    5     1 S   CT   _CA1     5     1.50121   138.77689   117.34520
    6     5 S   HC   _HA1     6     1.09575   105.18964    86.01669
    7     5 S   CO3  _C1_     7     1.53782   112.45021   -34.19871
    8     7 S   O2Z  _O11     8     1.26371   115.00448   -42.73633
    9     7 S   O2Z  _O12     9     1.26242   114.94089   136.36229
   10     5 S   CT   _CB1    10     1.53076   107.40956  -156.02400
   11    10 S   HC   HB11    11     1.09834   109.34194   -49.85275
   12    10 S   HC   HB12    12     1.09813   110.45930    66.74356
   13    10 S   CT   _CG1    13     1.52992   112.62155  -170.83970
   14    13 S   HC   HG11    14     1.09583   110.62410   -65.95344
   15    13 S   HC   HG12    15     1.09671   109.79656    53.28464
   16    13 S   C    _CD1    16     1.51803   112.20955   173.70649
   17    16 S   O    _OE1    17     1.22736   123.27537     6.72567
   18    16 S   N    _N2_    18     1.38640   111.67665  -173.29188
   19    18 S   H    _HN2    19     1.01581   118.97240     1.43094
   20    18 S   CT1  _CA2    20     1.46232   123.41106   177.57287
   21    20 S   HC   _HA2    21     1.09738   109.36774     3.10715
   22    20 S   C    _C2_    22     1.53563   108.53812  -112.36977
   23    22 S   O    _O2_    23     1.23046   122.34101  -147.66859
   24    20 S   CT   _CB2    32     1.53416   111.55745   125.11174
   25    24 S   HC   HB21    33     1.09477   109.59389    56.92491
   26    24 S   HC   HB22    34     1.09430   109.76728   175.79150
   27    22 S   N    _N3_    24     1.38356   113.69517    39.78109
   28    27 S   H    _HN3    25     1.01576   119.58103    -3.32408
   29    24 S   S    _SG2    35     1.83259   111.03283   -64.29462
   30    27 S   CT   _CA3    26     1.45281   123.19923   177.16248
   31    30 S   HC   HA31    27     1.09549   107.51287   -64.53792
   32    30 S   HC   HA32    28     1.09557   107.98203    51.90030
   33    29 S   CT   _C16    36     1.87493   101.43403   175.89792
   34    30 S   CO3  _C3_    29     1.52959   114.08433   173.88772
   35    34 S   O2Z  _O31    30     1.26375   116.07076    -0.79598
   36    34 S   O2Z  _O32    31     1.26430   114.41091   179.26698
   37    33 S   CM   _C10    37     1.49400   107.99666    61.38855
   38    37 S   HC   _H30    38     1.09382   114.22049    57.00661
   39    33 S   CT   _C23    55     1.56470   108.31445  -177.13358
   40    39 S   HC   _H47    56     1.09896   108.66437    61.58770
   41    37 S   CMA  _C11    39     1.35032   129.17367  -123.32969
   42    41 S   OM   _O21    40     1.26678   123.61537   179.73459
   43    39 S   CT   _C21    57     1.54526   113.07307  -177.88826
   44    43 S   HC   _H44    58     1.09750   110.20067    72.12567
   45    43 S   HC   _H45    59     1.09359   111.35299   -45.44224
   46    39 S   OS   _O26    71     1.45426   109.16576   -58.90949
   47    41 S   CA   _C6_    41     1.52167   115.06371    -0.46939
   48    43 S   CM   _C13    60     1.50642   111.99642  -168.85191
   49    48 S   HC   _H31    61     1.08913   114.50859   -85.06680
   50    46 S   CO4  _C15    72     1.36473   118.55234   128.20640
   51    50 S   O    _O23    73     1.22331   126.03575     0.56023
   52    47 S   CA   _C7_    42     1.41487   122.26321     3.93408
   53    48 S   CM   _C14    62     1.34652   127.08160    95.61886
   54    50 S   CT   _C22    74     1.51888   109.20777  -179.43214
   55    54 S   HC   _H46    75     1.09713   107.75620   -45.53559
   56    52 S   CA   _C9_    43     1.41459   120.60175   179.58599
   57    33 S   CO4  _C12    53     1.52158   106.52803   -60.92646
   58    57 S   O    _O22    54     1.23129   121.25684   -54.83656
   59    53 S   CT   _C17    63     1.50485   120.57976   178.82098
   60    59 S   HC   _H32    64     1.09494   110.28394   119.11615
   61    59 S   HC   _H33    65     1.09494   110.20999  -121.05404
   62    59 S   HC   _H34    66     1.09513   112.38039    -0.99426
   63    53 S   CT   _C18    67     1.50301   124.82392    -2.11267
   64    63 S   HC   _H35    68     1.09477   110.10496   114.69230
   65    63 S   HC   _H36    69     1.09262   113.43419    -6.35329
   66    63 S   HC   _H37    70     1.09536   110.05548  -125.94757
   67    54 S   CT   _C19    76     1.52445   109.90229    74.08248
   68    67 S   HC   _H38    77     1.09572   111.23749    58.94494
   69    67 S   HC   _H39    78     1.09529   111.04846   -60.62692
   70    67 S   HC   _H40    79     1.09488   110.94323   179.50862
   71    54 S   CT   _C20    80     1.52658   110.79435  -163.03970
   72    71 S   HC   _H41    81     1.09572   111.46018   -63.01857
   73    71 S   HC   _H42    82     1.09499   110.81227   176.60552
   74    71 S   HC   _H43    83     1.09553   110.80671    56.75323
   75    56 S   CA   _C5_    44     1.39037   121.30445     0.10468
   76    75 S   HA   _H29    45     1.08627   120.68717   179.91844
   77    56 S   OH   _O25    51     1.37144   123.95392   179.79347
   78    77 S   HO   _H49    52     0.97328   109.03102     1.28694
   79    75 S   CA   _C4_    46     1.38290   119.38719     0.03956
   80    79 S   HA   _H28    47     1.08672   119.78199   179.89913
   81    47 S   CA   _C8_    48     1.42367   121.69114  -176.31363
   82    81 S   OH   _O24    49     1.37514   123.48068     0.52152
   83    82 S   HO   _H48    50     0.97531   107.49840    -1.15318
  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
  17   2   1   1  12   5  15   7   8   3  10   5   4   8  11  10
   3  11   4  10   8   9   8   9   4   1   7   3   2   1   3   2
   1   1   7   3   2   1   3   2   1   1   7   4   2   1   4   2
   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    57    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    41    52    57    58    39    40    43    46  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    41    42    47    52    56    57    58    39    40    43    44    45    48    46    50  
   35    36  
   36  
    0  
   38    41    42    47    52    81    57    58    39    40    43    46  
   41    42    47    57    39  
   40    43    44    45    48    49    53    46    50    51    54    41    52    57    58  
   43    44    45    48    46    50    57  
   42    47    52    56    79    81    82    57  
   47    52    81  
   44    45    48    49    53    59    63    46    50    57  
   45    48    49    53    46  
   48    49    53    46  
   50    51    54    55    67    71    48    57  
   52    56    75    79    80    81    82    83    77    57    58  
   49    53    59    60    61    62    63    64    65    66  
   53    59    63  
   51    54    55    67    68    69    70    71    72    73    74  
   54    55    67    71  
   56    75    76    79    81    82    77    78    57    58  
   59    60    61    62    63    64    65    66  
   55    67    68    69    70    71    72    73    74  
   67    68    69    70    71    72    73    74  
   75    76    79    80    81    77    78    57    58  
   58    75    77    81  
    0  
   60    61    62    63    64    65    66  
   61    62    63  
   62    63  
   63  
   64    65    66  
   65    66  
   66  
    0  
   68    69    70    71    72    73    74  
   69    70    71  
   70    71  
   71  
   72    73    74  
   73    74  
   74  
    0  
   76    79    80    81    82    77    78  
   79    80    81    77  
   78    79  
    0  
   80    81    82    83  
   81    82  
   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   0.167500   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  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   41   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   47   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   51   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   52   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   54   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   56   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   57   3.7500   0.1050   0.585000   2.1120   1.8750   0.001000000  -0.126889456
   58   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   59   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.180000   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   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  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   76   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   77   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   78   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   79   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   80   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   81   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   82   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   83   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    57   317.000  1.522
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    41   465.000  1.376
   41    42   745.000  1.250
   41    47   320.000  1.460
   47    52   469.000  1.400
   47    81   469.000  1.400
   52    56   469.000  1.400
   52    57   310.000  1.470
   56    75   469.000  1.400
   56    77   450.000  1.364
   75    76   367.000  1.080
   75    79   469.000  1.400
   79    80   367.000  1.080
   79    81   469.000  1.400
   81    82   450.000  1.364
   82    83   553.000  0.945
   77    78   553.000  0.945
   57    58   570.000  1.229
   39    40   340.000  1.090
   39    43   268.000  1.529
   39    46   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    48   317.000  1.510
   48    49   340.000  1.080
   48    53   549.000  1.340
   53    59   317.000  1.510
   53    63   317.000  1.510
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   340.000  1.090
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   46    50   214.000  1.327
   50    51   570.000  1.229
   50    54   317.000  1.522
   54    55   340.000  1.090
   54    67   268.000  1.529
   54    71   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   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    57    75.00000  110.18000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    41    70.00000  124.00000
   33    57    52    65.00000  115.47100
   33    57    58    80.00000  120.40000
   33    39    40    37.50000  110.70000
   33    39    43    58.35000  112.70000
   33    39    46    50.00000  109.50000
   37    41    42    65.00000  137.10300
   37    41    47    60.00000  123.20500
   41    37    38    40.00000  120.50800
   41    47    52    60.00000  120.93500
   41    47    81    60.00000  120.93500
   47    41    42    85.00000  114.86500
   47    52    56    63.00000  120.00000
   47    52    57    60.00000  119.52600
   47    81    79    63.00000  120.00000
   47    81    82    70.00000  120.00000
   52    56    75    63.00000  120.00000
   52    56    77    70.00000  120.00000
   52    57    58    75.00000  123.78400
   56    75    76    35.00000  120.00000
   56    75    79    63.00000  120.00000
   56    77    78    35.00000  113.00000
   75    79    80    35.00000  120.00000
   75    79    81    63.00000  120.00000
   79    75    76    35.00000  120.00000
   79    81    82    70.00000  120.00000
   81    47    52    63.00000  120.00000
   81    79    80    35.00000  120.00000
   81    82    83    35.00000  113.00000
   77    56    75    70.00000  120.00000
   57    33    37    70.00000  109.06800
   57    52    56    60.00000  119.52600
   39    33    37    70.00000  112.02700
   39    33    57    63.00000  111.10000
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    48    70.00000  112.02700
   39    46    50    83.00000  116.90000
   43    39    40    37.50000  110.70000
   43    48    49    35.00000  117.00000
   43    48    53    70.00000  124.00000
   45    43    44    33.00000  107.80000
   48    43    44    35.00000  109.50000
   48    43    45    35.00000  109.50000
   48    53    59    70.00000  124.00000
   48    53    63    70.00000  124.00000
   53    48    49    35.00000  120.00000
   53    59    60    35.00000  109.50000
   53    59    61    35.00000  109.50000
   53    59    62    35.00000  109.50000
   53    63    64    35.00000  109.50000
   53    63    65    35.00000  109.50000
   53    63    66    35.00000  109.50000
   61    59    60    33.00000  107.80000
   62    59    60    33.00000  107.80000
   62    59    61    33.00000  107.80000
   63    53    59    65.00000  117.92700
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   46    39    40    35.00000  109.50000
   46    39    43    50.00000  109.50000
   46    50    51    83.00000  123.40000
   46    50    54    81.00000  111.40000
   50    54    55    35.00000  109.50000
   50    54    67    63.00000  111.10000
   50    54    71    63.00000  111.10000
   54    50    51    80.00000  120.40000
   54    67    68    37.50000  110.70000
   54    67    69    37.50000  110.70000
   54    67    70    37.50000  110.70000
   54    71    72    37.50000  110.70000
   54    71    73    37.50000  110.70000
   54    71    74    37.50000  110.70000
   67    54    55    37.50000  110.70000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   71    54    55    37.50000  110.70000
   71    54    67    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    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    57   0.01700  1.0 1.0
   24    29    33    57  -0.23550 -1.0 2.0
   24    29    33    57   0.21350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.00000  1.0 1.0
   29    33    37    41   0.42700  1.0 1.0
   29    33    37    41  -0.70350 -1.0 2.0
   29    33    37    41  -0.43150  1.0 3.0
   29    33    57    52   0.65300  1.0 1.0
   29    33    57    52  -0.03850 -1.0 2.0
   29    33    57    52   0.33900  1.0 3.0
   29    33    57    58   0.30150 -1.0 2.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    43   0.44750  1.0 1.0
   29    33    39    43  -0.17800 -1.0 2.0
   29    33    39    43   0.20200  1.0 3.0
   29    33    39    46   0.56750  1.0 1.0
   29    33    39    46  -0.07550 -1.0 2.0
   29    33    39    46   0.20000  1.0 3.0
   33    37    41    42   7.00000 -1.0 2.0
   33    37    41    47   7.00000 -1.0 2.0
   33    39    43    44   0.15000  1.0 3.0
   33    39    43    45   0.15000  1.0 3.0
   33    39    43    48   0.34400  1.0 1.0
   33    39    43    48   0.09450 -1.0 2.0
   33    39    43    48   0.11100  1.0 3.0
   33    39    46    50  -0.25900  1.0 1.0
   33    39    46    50  -0.47000 -1.0 2.0
   33    39    46    50   0.11750  1.0 3.0
   37    33    57    52   0.65300  1.0 1.0
   37    33    57    52  -0.03850 -1.0 2.0
   37    33    57    52   0.33900  1.0 3.0
   37    33    57    58   0.30150 -1.0 2.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    43   0.34400  1.0 1.0
   37    33    39    43   0.09450 -1.0 2.0
   37    33    39    43   0.11100  1.0 3.0
   37    33    39    46   0.61850  1.0 1.0
   37    33    39    46  -0.22750 -1.0 2.0
   37    33    39    46   0.15300  1.0 3.0
   37    41   -47    52   0.15800  1.0 1.0
   37    41   -47    52   1.85350 -1.0 2.0
   37    41   -47    52  -0.48700  1.0 3.0
   37    41    47    81   0.15800  1.0 1.0
   37    41    47    81   1.85350 -1.0 2.0
   37    41    47    81  -0.48700  1.0 3.0
   38    37    41    42   7.00000 -1.0 2.0
   38    37    41    47   7.00000 -1.0 2.0
   41    47    52    56   3.62500 -1.0 2.0
   41    47    52    57   3.62500 -1.0 2.0
   41    47    81    79   3.62500 -1.0 2.0
   41    47    81    82   3.62500 -1.0 2.0
   42    41    47    52  -0.01750  1.0 1.0
   42    41    47    52  -0.32000 -1.0 2.0
   42    41    47    52   0.00600  1.0 3.0
   42    41    47    81  -0.01750  1.0 1.0
   42    41    47    81  -0.32000 -1.0 2.0
   42    41    47    81   0.00600  1.0 3.0
   47    52    56    75   3.62500 -1.0 2.0
   47    52    56    77   3.62500 -1.0 2.0
   47    52   -57    33   2.26350  1.0 1.0
   47    52   -57    33   0.76750 -1.0 2.0
   47    52   -57    33   0.22500  1.0 3.0
   47    52    57    58   1.05000 -1.0 2.0
   47    81    82    83   0.84100 -1.0 2.0
   52    47    81    79   3.62500 -1.0 2.0
   52    47    81    82   3.62500 -1.0 2.0
   52    56    75    76   3.62500 -1.0 2.0
   52    56   -75    79   3.62500 -1.0 2.0
   52    56    77    78   0.84100 -1.0 2.0
   56    52    57    33   2.26350  1.0 1.0
   56    52    57    33   0.76750 -1.0 2.0
   56    52    57    33   0.22500  1.0 3.0
   56    52    57    58   1.05000 -1.0 2.0
   56    75    79    80   3.62500 -1.0 2.0
   56    75    79    81   3.62500 -1.0 2.0
   75    56    77    78   0.84100 -1.0 2.0
   75    79   -81    47   3.62500 -1.0 2.0
   75    79    81    82   3.62500 -1.0 2.0
   76    75    79    80   3.62500 -1.0 2.0
   76    75    79    81   3.62500 -1.0 2.0
   79    81    82    83   0.84100 -1.0 2.0
   80    79    81    47   3.62500 -1.0 2.0
   80    79    81    82   3.62500 -1.0 2.0
   81    47   -52    56   3.62500 -1.0 2.0
   81    47    52    57   3.62500 -1.0 2.0
   77    56    75    76   3.62500 -1.0 2.0
   77    56    75    79   3.62500 -1.0 2.0
   57    33    37    38   0.00000  1.0 1.0
   57    33   -37    41  -0.51250  1.0 1.0
   57    33   -37    41  -0.88800 -1.0 2.0
   57    33   -37    41   0.08850  1.0 3.0
   57    33    39    40  -0.11250  1.0 3.0
   57    33    39    43  -0.95700  1.0 1.0
   57    33    39    43  -0.18200 -1.0 2.0
   57    33    39    43   0.29450  1.0 3.0
   57    33    39    46  -0.09450  1.0 1.0
   57    33    39    46  -1.12950 -1.0 2.0
   57    33    39    46   0.54000  1.0 3.0
   57    52    56    75   3.62500 -1.0 2.0
   57    52    56    77   3.62500 -1.0 2.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    41   0.09850  1.0 1.0
   39    33    37    41   0.15250 -1.0 2.0
   39    33    37    41  -0.50650  1.0 3.0
   39    33    57    52   0.05850 -1.0 2.0
   39    33    57    52   0.17250  1.0 3.0
   39    33    57    58   0.30150 -1.0 2.0
   39    43    48    49   0.00000  1.0 1.0
   39    43    48    53   0.09850  1.0 1.0
   39    43    48    53   0.15250 -1.0 2.0
   39    43    48    53  -0.50650  1.0 3.0
   39    46    50    51   3.00000 -1.0 2.0
   39    46    50    54   1.63150  1.0 1.0
   39    46    50    54   2.92000 -1.0 2.0
   40    39    43    44   0.15000  1.0 3.0
   40    39    43    45   0.15000  1.0 3.0
   40    39    43    48   0.15000  1.0 3.0
   40    39    46    50   0.08050  1.0 3.0
   43    39    46    50  -0.25900  1.0 1.0
   43    39    46    50  -0.47000 -1.0 2.0
   43    39    46    50   0.11750  1.0 3.0
   43    48    53    59   7.00000 -1.0 2.0
   43    48    53    63   7.00000 -1.0 2.0
   44    43    48    49   0.33100  1.0 3.0
   44    43    48    53   0.00000  1.0 1.0
   45    43    48    49   0.33100  1.0 3.0
   45    43    48    53   0.00000  1.0 1.0
   48    53    59    60   0.00000  1.0 1.0
   48    53    59    61   0.00000  1.0 1.0
   48    53    59    62   0.00000  1.0 1.0
   48    53    63    64   0.00000  1.0 1.0
   48    53    63    65   0.00000  1.0 1.0
   48    53    63    66   0.00000  1.0 1.0
   49    48    53    59   7.00000 -1.0 2.0
   49    48    53    63   7.00000 -1.0 2.0
   59    53    63    64   0.34800  1.0 3.0
   59    53    63    65   0.34800  1.0 3.0
   59    53    63    66   0.34800  1.0 3.0
   63    53    59    60   0.34800  1.0 3.0
   63    53    59    61   0.34800  1.0 3.0
   63    53    59    62   0.34800  1.0 3.0
   46    39    43    44   0.23400  1.0 3.0
   46    39    43    45   0.23400  1.0 3.0
   46    39    43    48   0.61850  1.0 1.0
   46    39    43    48  -0.22750 -1.0 2.0
   46    39    43    48   0.15300  1.0 3.0
   46    50    54    55   0.00000  1.0 1.0
   46    50    54    67   0.36750  1.0 3.0
   46    50    54    71   0.36750  1.0 3.0
   50    54    67    68  -0.11250  1.0 3.0
   50    54    67    69  -0.11250  1.0 3.0
   50    54    67    70  -0.11250  1.0 3.0
   50    54    71    72  -0.11250  1.0 3.0
   50    54    71    73  -0.11250  1.0 3.0
   50    54    71    74  -0.11250  1.0 3.0
   51    50    54    55   0.00000  1.0 1.0
   51    50    54    67   0.30150 -1.0 2.0
   51    50    54    71   0.30150 -1.0 2.0
   55    54    67    68   0.15000  1.0 3.0
   55    54    67    69   0.15000  1.0 3.0
   55    54    67    70   0.15000  1.0 3.0
   55    54    71    72   0.15000  1.0 3.0
   55    54    71    73   0.15000  1.0 3.0
   55    54    71    74   0.15000  1.0 3.0
   67    54    71    72   0.15000  1.0 3.0
   67    54    71    73   0.15000  1.0 3.0
   67    54    71    74   0.15000  1.0 3.0
   71    54    67    68   0.15000  1.0 3.0
   71    54    67    69   0.15000  1.0 3.0
   71    54    67    70   0.15000  1.0 3.0
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
   36    30    34    35  10.50000 -1.0 2.0
   33    38    37    41   1.10000 -1.0 2.0
   47    42    41    37   1.10000 -1.0 2.0
   52    81    47    41   4.00000 -1.0 2.0
   56    57    52    47   4.00000 -1.0 2.0
   75    77    56    52   4.00000 -1.0 2.0
   79    76    75    56   1.10000 -1.0 2.0
   81    80    79    75   1.10000 -1.0 2.0
   79    82    81    47   4.00000 -1.0 2.0
   33    52    57    58  10.50000 -1.0 2.0
   43    49    48    53  15.00000 -1.0 2.0
   59    63    53    48  15.00000 -1.0 2.0
   46    54    50    51  10.50000 -1.0 2.0
END
