* LIGAND DATABASE FILE (OPLS2005)
*
001      78    80    150    238     447
    1     0 S   NP   _N1_     1    29.11657    92.93396   -21.86765
    2     1 S   H    _HN1     2     1.02969    93.74124    38.28425
    3     1 S   H    _H1_     3     1.02830    20.69469   169.37442
    4     1 S   H    _H2_     4     1.02773    98.26277   -70.85680
    5     1 S   CT   _CA1     5     1.50150   131.22124   159.62656
    6     5 S   HC   _HA1     6     1.09581   105.20476    62.81280
    7     5 S   CO3  _C1_     7     1.53777   112.42838   -57.23411
    8     7 S   O2Z  _O11     8     1.26348   115.01543   -42.13786
    9     7 S   O2Z  _O12     9     1.26253   114.91549   136.96213
   10     5 S   CT   _CB1    10     1.53078   107.35654  -179.41216
   11    10 S   HC   HB11    11     1.09820   109.14677   -51.68497
   12    10 S   HC   HB12    12     1.09833   110.44344    64.75504
   13    10 S   CT   _CG1    13     1.53028   112.81919  -172.94209
   14    13 S   HC   HG11    14     1.09594   110.26219   -64.65867
   15    13 S   HC   HG12    15     1.09635   110.18208    54.59977
   16    13 S   C    _CD1    16     1.51786   112.17662   174.66847
   17    16 S   O    _OE1    17     1.22762   123.16087   -10.07015
   18    16 S   N    _N2_    18     1.38692   111.81894   170.66841
   19    18 S   H    _HN2    19     1.01590   119.15517     0.48537
   20    18 S   CT1  _CA2    20     1.46052   123.08955  -178.71808
   21    20 S   HC   _HA2    21     1.09535   108.97722   -15.15915
   22    20 S   C    _C2_    22     1.53327   108.78645  -130.02320
   23    22 S   O    _O2_    23     1.23015   122.23785  -146.32408
   24    20 S   CT   _CB2    32     1.53495   111.96824   107.23134
   25    24 S   HC   HB21    33     1.09651   109.55786    62.49753
   26    24 S   HC   HB22    34     1.09580   110.82261   179.81129
   27    22 S   N    _N3_    24     1.38512   113.31182    41.49174
   28    27 S   H    _HN3    25     1.01519   118.95709    -1.04324
   29    24 S   S    _SG2    35     1.82889   114.81946   -57.32216
   30    27 S   CT   _CA3    26     1.45411   123.16480   173.93240
   31    30 S   HC   HA31    27     1.09543   108.89100    30.86419
   32    30 S   HC   HA32    28     1.09482   107.21372   147.89950
   33    29 S   CT   _C11    36     1.82883    99.76951   -68.14784
   34    33 S   HC   _H14    37     1.09060   104.80028   -64.87269
   35    33 S   HC   _H15    38     1.09188   109.16284    52.96763
   36    30 S   CO3  _C3_    29     1.52998   113.38010   -92.27718
   37    36 S   O2Z  _O31    30     1.26393   115.60073   -38.98921
   38    36 S   O2Z  _O32    31     1.26385   114.84193   141.91821
   39    33 S   CT   _C9_    39     1.52676   113.12758   175.71874
   40    39 S   HC   _H6_    40     1.09774   109.88024    54.22202
   41    39 S   CO4  _C10    41     1.51083   110.97625   -65.62029
   42    41 S   O    _O33    42     1.22179   125.94534    73.72312
   43    41 S   OS   _O34    43     1.35916   110.56603  -105.08620
   44    43 S   CT   _C7_    44     1.43914   111.58348    -8.04471
   45    44 S   HC   _H4_    45     1.09368   106.88859   111.52443
   46    44 S   CT   _C6_    46     1.53484   105.57930  -129.85661
   47    46 S   HC   _H12    47     1.10029   107.96802    55.65419
   48    46 S   HC   _H13    48     1.09952   107.79803   -56.22080
   49    39 S   CT   _C8_    62     1.54586   117.87379   178.15188
   50    49 S   HC   _H5_    63     1.09916   103.41045  -151.04317
   51    46 S   CT   _C5_    49     1.54381   118.79457  -179.87967
   52    51 S   HC   _H3_    50     1.09512   107.92747    73.67654
   53    51 S   CT   _C14    51     1.54860   112.42218   -48.26188
   54    53 S   HC   _H8_    52     1.09865   107.82664   -49.18465
   55    51 S   CT   _C4_    75     1.53862   107.57720  -172.54396
   56    55 S   HC   _H9_    76     1.09531   111.31578    70.42916
   57    55 S   HC   _H10    77     1.09579   110.84655   -49.73671
   58    55 S   HC   _H11    78     1.09438   111.32296  -168.40284
   59    53 S   CM   _C15    53     1.50968   117.23054  -165.31931
   60    59 S   HC   _H16    54     1.08192   123.40715    41.81268
   61    59 S   CM   _C16    55     1.33370   114.44350  -145.81132
   62    61 S   HC   _H17    56     1.07527   128.83083  -174.76673
   63    61 S   CO4  _C17    57     1.47042   105.43502     5.01923
   64    63 S   O    _O35    58     1.22118   122.02280  -171.32366
   65    53 S   CT   _C13    59     1.56304   114.06593    74.34554
   66    65 S   CT   _C12    60     1.56525   114.25109   -88.61294
   67    66 S   HC   _H7_    61     1.09762   109.81719   -90.99567
   68    65 S   CT   _C18    71     1.55345   113.15501    42.68551
   69    68 S   HC   _H18    72     1.09323   112.22204   -77.75338
   70    68 S   HC   _H19    73     1.09663   111.48036   161.46370
   71    68 S   HC   _H20    74     1.09672   111.87788    43.20466
   72    66 S   OS   _O36    64     1.45185   107.82332   149.97339
   73    72 S   CO4  _C19    65     1.36434   119.22378    99.14521
   74    73 S   O    _O37    66     1.22233   126.66101     5.45036
   75    73 S   CT   _C20    67     1.49896   109.36826  -176.27737
   76    75 S   HC   _H21    68     1.09231   109.81645   -68.28712
   77    75 S   HC   _H22    69     1.09372   109.33149   172.23747
   78    75 S   HC   _H23    70     1.09315   109.93248    53.61378
  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   7   5   4   3
  11   5   4   2   1   1  13   7   8   3   9  14   7  15   6   5
  10   4  14   8  19   8   5   2   1   1   8   4   6   3   9   3
   8   9   3   4   2   1   1   6   5   4   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    49  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    66    49    50  
   35    39    40    41    49  
   39    40    41    49  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    65    66    67    49    50    72  
   41    42    43    44    66    49    50  
   42    43    44    45    46    66    49    50  
   43    44    49  
   44    45    46    47    48    51    66    49    50  
   45    46    47    48    51    52    53    65    66    67    49    50    72    55  
   46    47    48    51    66    49    50  
   47    48    51    52    53    54    59    65    66    49    50    55    56    57    58  
   48    51    52    53    49    55  
   51    52    53    49    55  
   50    72    73    68    51    53    63    65    66    67  
   72    65    66    67  
   52    53    54    59    60    61    63    65    66    68    55    56    57    58  
   53    54    59    65    55    56    57    58  
   54    59    60    61    62    63    64    65    66    67    72    68    69    70    71    55    56    57    58  
   59    60    61    63    65    66    68    55  
   56    57    58    59    65  
   57    58  
   58  
    0  
   60    61    62    63    64    65    66    68  
   61    62    63    65  
   62    63    64    65    66    68  
   63    64    65  
   64    65    66    67    72    68    69    70    71  
   65    66    68  
   66    67    72    73    68    69    70    71  
   67    72    73    74    75    68    69    70    71  
   72    73    68  
   69    70    71    72  
   70    71  
   71  
    0  
   73    74    75    76    77    78  
   74    75    76    77    78  
   75    76    77    78  
   76    77    78  
   77    78  
   78  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   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  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   67   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   73   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   74   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   75   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   77   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   2.4200   0.0150   0.060000   1.3810   1.2100   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    49   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    49   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   268.000  1.529
   51    52   340.000  1.090
   51    53   268.000  1.529
   51    55   268.000  1.529
   53    54   340.000  1.090
   53    59   317.000  1.510
   53    65   268.000  1.529
   59    60   340.000  1.080
   59    61   549.000  1.340
   61    62   340.000  1.080
   61    63   320.000  1.462
   63    64   570.000  1.229
   63    65   317.000  1.522
   65    66   268.000  1.529
   65    68   268.000  1.529
   66    67   340.000  1.090
   66    49   268.000  1.529
   66    72   320.000  1.410
   49    50   340.000  1.090
   72    73   214.000  1.327
   73    74   570.000  1.229
   73    75   317.000  1.522
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    49    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    49    44    58.35000  112.70000
   39    49    66    58.35000  112.70000
   39    49    50    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    50.00000  109.50000
   43    44    49    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    48    37.50000  110.70000
   44    46    51    58.35000  112.70000
   44    49    66    58.35000  112.70000
   44    49    50    37.50000  110.70000
   46    44    45    37.50000  110.70000
   46    51    52    37.50000  110.70000
   46    51    53    58.35000  112.70000
   46    51    55    58.35000  112.70000
   48    46    47    33.00000  107.80000
   51    46    47    37.50000  110.70000
   51    46    48    37.50000  110.70000
   51    53    54    37.50000  110.70000
   51    53    59    70.00000  112.02700
   51    53    65    58.35000  112.70000
   51    55    56    37.50000  110.70000
   51    55    57    37.50000  110.70000
   51    55    58    37.50000  110.70000
   53    51    52    37.50000  110.70000
   53    59    60    35.00000  117.00000
   53    59    61    70.00000  124.00000
   53    65    63    63.00000  111.10000
   53    65    66    58.35000  112.70000
   53    65    68    58.35000  112.70000
   59    53    54    35.00000  109.50000
   59    61    62    35.00000  120.00000
   59    61    63    65.00000  118.96000
   61    59    60    35.00000  120.00000
   61    63    64    80.00000  123.72100
   61    63    65    65.00000  118.62400
   63    61    62    40.00000  117.72500
   63    65    66    63.00000  111.10000
   63    65    68    63.00000  111.10000
   65    53    54    37.50000  110.70000
   65    53    59    70.00000  112.02700
   65    63    64    80.00000  120.40000
   65    66    67    37.50000  110.70000
   65    66    49    58.35000  112.70000
   65    66    72    50.00000  109.50000
   65    68    69    37.50000  110.70000
   65    68    70    37.50000  110.70000
   65    68    71    37.50000  110.70000
   66    49    50    37.50000  110.70000
   66    72    73    83.00000  116.90000
   49    39    40    37.50000  110.70000
   49    39    41    63.00000  111.10000
   49    44    45    37.50000  110.70000
   49    44    46    58.35000  112.70000
   49    66    67    37.50000  110.70000
   72    66    67    35.00000  109.50000
   72    66    49    50.00000  109.50000
   72    73    74    83.00000  123.40000
   72    73    75    81.00000  111.40000
   73    75    76    35.00000  109.50000
   73    75    77    35.00000  109.50000
   73    75    78    35.00000  109.50000
   75    73    74    80.00000  120.40000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   68    65    66    58.35000  112.70000
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   55    51    52    37.50000  110.70000
   55    51    53    58.35000  112.70000
   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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    49   0.44750  1.0 1.0
   29    33    39    49  -0.17800 -1.0 2.0
   29    33    39    49   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    49    44   0.56750  1.0 1.0
   33    39    49    44  -0.07550 -1.0 2.0
   33    39    49    44   0.20000  1.0 3.0
   33    39    49    66   0.56750  1.0 1.0
   33    39    49    66  -0.07550 -1.0 2.0
   33    39    49    66   0.20000  1.0 3.0
   33    39    49    50   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    49   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    49   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    49    44   0.15000  1.0 3.0
   40    39    49    66   0.15000  1.0 3.0
   40    39    49    50   0.15000  1.0 3.0
   41    39   -49    44  -0.95700  1.0 1.0
   41    39   -49    44  -0.18200 -1.0 2.0
   41    39   -49    44   0.29450  1.0 3.0
   41    39    49    66  -0.95700  1.0 1.0
   41    39    49    66  -0.18200 -1.0 2.0
   41    39    49    66   0.29450  1.0 3.0
   41    39    49    50  -0.11250  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43    44    46  -0.25900  1.0 1.0
   41    43    44    46  -0.47000 -1.0 2.0
   41    43    44    46   0.11750  1.0 3.0
   41    43   -44    49  -0.25900  1.0 1.0
   41    43   -44    49  -0.47000 -1.0 2.0
   41    43   -44    49   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44    46    47   0.23400  1.0 3.0
   43    44    46    48   0.23400  1.0 3.0
   43    44    46    51   0.62750  1.0 1.0
   43    44    46    51  -0.30950 -1.0 2.0
   43    44    46    51   0.27300  1.0 3.0
   43    44   -49    39   0.62750  1.0 1.0
   43    44   -49    39  -0.30950 -1.0 2.0
   43    44   -49    39   0.27300  1.0 3.0
   43    44    49    66   0.62750  1.0 1.0
   43    44    49    66  -0.30950 -1.0 2.0
   43    44    49    66   0.27300  1.0 3.0
   43    44    49    50   0.23400  1.0 3.0
   44    46    51    52   0.15000  1.0 3.0
   44    46    51    53   0.56750  1.0 1.0
   44    46    51    53  -0.07550 -1.0 2.0
   44    46    51    53   0.20000  1.0 3.0
   44    46    51    55   0.56750  1.0 1.0
   44    46    51    55  -0.07550 -1.0 2.0
   44    46    51    55   0.20000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    48   0.15000  1.0 3.0
   45    44    46    51   0.15000  1.0 3.0
   45    44    49    39   0.15000  1.0 3.0
   45    44    49    66   0.15000  1.0 3.0
   45    44    49    50   0.15000  1.0 3.0
   46    44    49    39   0.56750  1.0 1.0
   46    44    49    39  -0.07550 -1.0 2.0
   46    44    49    39   0.20000  1.0 3.0
   46    44    49    66   0.56750  1.0 1.0
   46    44    49    66  -0.07550 -1.0 2.0
   46    44    49    66   0.20000  1.0 3.0
   46    44    49    50   0.15000  1.0 3.0
   46    51    53    54   0.15000  1.0 3.0
   46    51    53    59   0.34400  1.0 1.0
   46    51    53    59   0.09450 -1.0 2.0
   46    51    53    59   0.11100  1.0 3.0
   46    51    53    65   0.56750  1.0 1.0
   46    51    53    65  -0.07550 -1.0 2.0
   46    51    53    65   0.20000  1.0 3.0
   46    51    55    56   0.15000  1.0 3.0
   46    51    55    57   0.15000  1.0 3.0
   46    51    55    58   0.15000  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    53   0.15000  1.0 3.0
   47    46    51    55   0.15000  1.0 3.0
   48    46    51    52   0.15000  1.0 3.0
   48    46    51    53   0.15000  1.0 3.0
   48    46    51    55   0.15000  1.0 3.0
   51    53    59    60   0.00000  1.0 1.0
   51    53    59    61   0.09850  1.0 1.0
   51    53    59    61   0.15250 -1.0 2.0
   51    53    59    61  -0.50650  1.0 3.0
   51    53    65    63  -0.95700  1.0 1.0
   51    53    65    63  -0.18200 -1.0 2.0
   51    53    65    63   0.29450  1.0 3.0
   51    53    65    66   0.56750  1.0 1.0
   51    53    65    66  -0.07550 -1.0 2.0
   51    53    65    66   0.20000  1.0 3.0
   51    53    65    68   0.56750  1.0 1.0
   51    53    65    68  -0.07550 -1.0 2.0
   51    53    65    68   0.20000  1.0 3.0
   52    51    53    54   0.15000  1.0 3.0
   52    51    53    59   0.15000  1.0 3.0
   52    51    53    65   0.15000  1.0 3.0
   52    51    55    56   0.15000  1.0 3.0
   52    51    55    57   0.15000  1.0 3.0
   52    51    55    58   0.15000  1.0 3.0
   53    51    55    56   0.15000  1.0 3.0
   53    51    55    57   0.15000  1.0 3.0
   53    51    55    58   0.15000  1.0 3.0
   53    59    61    62   7.00000 -1.0 2.0
   53    59   -61    63   7.00000 -1.0 2.0
   53    65    66    67   0.15000  1.0 3.0
   53    65    66    49   0.56750  1.0 1.0
   53    65    66    49  -0.07550 -1.0 2.0
   53    65    66    49   0.20000  1.0 3.0
   53    65    66    72   0.62750  1.0 1.0
   53    65    66    72  -0.30950 -1.0 2.0
   53    65    66    72   0.27300  1.0 3.0
   53    65    68    69   0.15000  1.0 3.0
   53    65    68    70   0.15000  1.0 3.0
   53    65    68    71   0.15000  1.0 3.0
   54    53    59    60   0.33100  1.0 3.0
   54    53    59    61   0.00000  1.0 1.0
   54    53    65    63  -0.11250  1.0 3.0
   54    53    65    66   0.15000  1.0 3.0
   54    53    65    68   0.15000  1.0 3.0
   59    53   -65    63  -0.98800  1.0 1.0
   59    53   -65    63   0.48800 -1.0 2.0
   59    53   -65    63   0.76800  1.0 3.0
   59    53    65    66   0.34400  1.0 1.0
   59    53    65    66   0.09450 -1.0 2.0
   59    53    65    66   0.11100  1.0 3.0
   59    53    65    68   0.34400  1.0 1.0
   59    53    65    68   0.09450 -1.0 2.0
   59    53    65    68   0.11100  1.0 3.0
   59    61    63    64   1.00000 -1.0 2.0
   59    61   -63    65  -0.33500  1.0 1.0
   59    61   -63    65   1.06600 -1.0 2.0
   59    61   -63    65  -0.14000  1.0 3.0
   60    59    61    62   7.00000 -1.0 2.0
   60    59    61    63   7.00000 -1.0 2.0
   61    63   -65    53   0.65300  1.0 1.0
   61    63   -65    53  -0.03850 -1.0 2.0
   61    63   -65    53   0.33900  1.0 3.0
   61    63    65    66   0.65300  1.0 1.0
   61    63    65    66  -0.03850 -1.0 2.0
   61    63    65    66   0.33900  1.0 3.0
   61    63    65    68   0.65300  1.0 1.0
   61    63    65    68  -0.03850 -1.0 2.0
   61    63    65    68   0.33900  1.0 3.0
   62    61    63    64   0.00000  1.0 1.0
   62    61    63    65   0.04550  1.0 1.0
   62    61    63    65   0.83000 -1.0 2.0
   62    61    63    65  -0.04000  1.0 3.0
   63    65    66    67  -0.11250  1.0 3.0
   63    65    66    49  -0.95700  1.0 1.0
   63    65    66    49  -0.18200 -1.0 2.0
   63    65    66    49   0.29450  1.0 3.0
   63    65    66    72  -0.09450  1.0 1.0
   63    65    66    72  -1.12950 -1.0 2.0
   63    65    66    72   0.54000  1.0 3.0
   63    65    68    69  -0.11250  1.0 3.0
   63    65    68    70  -0.11250  1.0 3.0
   63    65    68    71  -0.11250  1.0 3.0
   64    63    65    53   0.30150 -1.0 2.0
   64    63    65    66   0.30150 -1.0 2.0
   64    63    65    68   0.30150 -1.0 2.0
   65    53    59    60   0.00000  1.0 1.0
   65    53   -59    61   0.09850  1.0 1.0
   65    53   -59    61   0.15250 -1.0 2.0
   65    53   -59    61  -0.50650  1.0 3.0
   65    66    49    39   0.56750  1.0 1.0
   65    66    49    39  -0.07550 -1.0 2.0
   65    66    49    39   0.20000  1.0 3.0
   65    66    49    44   0.56750  1.0 1.0
   65    66    49    44  -0.07550 -1.0 2.0
   65    66    49    44   0.20000  1.0 3.0
   65    66    49    50   0.15000  1.0 3.0
   65    66    72    73  -0.25900  1.0 1.0
   65    66    72    73  -0.47000 -1.0 2.0
   65    66    72    73   0.11750  1.0 3.0
   66    65    68    69   0.15000  1.0 3.0
   66    65    68    70   0.15000  1.0 3.0
   66    65    68    71   0.15000  1.0 3.0
   66    72    73    74   3.00000 -1.0 2.0
   66    72    73    75   1.63150  1.0 1.0
   66    72    73    75   2.92000 -1.0 2.0
   67    66    49    39   0.15000  1.0 3.0
   67    66    49    44   0.15000  1.0 3.0
   67    66    49    50   0.15000  1.0 3.0
   67    66    72    73   0.08050  1.0 3.0
   49    39    41    42   0.30150 -1.0 2.0
   49    39   -41    43   0.36750  1.0 3.0
   49    44    46    47   0.15000  1.0 3.0
   49    44    46    48   0.15000  1.0 3.0
   49    44    46    51   0.56750  1.0 1.0
   49    44    46    51  -0.07550 -1.0 2.0
   49    44    46    51   0.20000  1.0 3.0
   49    66    72    73  -0.25900  1.0 1.0
   49    66    72    73  -0.47000 -1.0 2.0
   49    66    72    73   0.11750  1.0 3.0
   72    66    49    39   0.62750  1.0 1.0
   72    66    49    39  -0.30950 -1.0 2.0
   72    66    49    39   0.27300  1.0 3.0
   72    66    49    44   0.62750  1.0 1.0
   72    66    49    44  -0.30950 -1.0 2.0
   72    66    49    44   0.27300  1.0 3.0
   72    66    49    50   0.23400  1.0 3.0
   72    73    75    76   0.00000  1.0 1.0
   72    73    75    77   0.00000  1.0 1.0
   72    73    75    78   0.00000  1.0 1.0
   74    73    75    76   0.00000  1.0 1.0
   74    73    75    77   0.00000  1.0 1.0
   74    73    75    78   0.00000  1.0 1.0
   68    65    66    67   0.15000  1.0 3.0
   68    65    66    49   0.56750  1.0 1.0
   68    65    66    49  -0.07550 -1.0 2.0
   68    65    66    49   0.20000  1.0 3.0
   68    65    66    72   0.62750  1.0 1.0
   68    65    66    72  -0.30950 -1.0 2.0
   68    65    66    72   0.27300  1.0 3.0
   55    51    53    54   0.15000  1.0 3.0
   55    51    53    59   0.34400  1.0 1.0
   55    51    53    59   0.09450 -1.0 2.0
   55    51    53    59   0.11100  1.0 3.0
   55    51    53    65   0.56750  1.0 1.0
   55    51    53    65  -0.07550 -1.0 2.0
   55    51    53    65   0.20000  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    36    38  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   53    60    59    61   1.10000 -1.0 2.0
   63    62    61    59   1.10000 -1.0 2.0
   61    65    63    64  10.50000 -1.0 2.0
   72    75    73    74  10.50000 -1.0 2.0
END
