* LIGAND DATABASE FILE (OPLS2005)
*
001      76    78    148    240     448
    1     0 S   NP   _N1_     1    28.74729    94.49219   -20.70308
    2     1 S   H    _HN1     2     1.02780    85.36838   -72.81755
    3     1 S   H    _H1_     3     1.02961    95.38207    35.16048
    4     1 S   H    _H2_     4     1.02839    30.86901   149.83902
    5     1 S   CT   _CA1     5     1.50097   140.72872   167.18270
    6     5 S   HC   _HA1     6     1.09570   105.30500    49.86548
    7     5 S   CO3  _C1_     7     1.53856   112.21500   -70.48438
    8     7 S   O2Z  _O11     8     1.26362   115.04309   -47.71624
    9     7 S   O2Z  _O12     9     1.26237   114.89532   131.47808
   10     5 S   CT   _CB1    10     1.53081   107.43110   167.81132
   11    10 S   HC   HB11    11     1.09820   109.55240   -50.29306
   12    10 S   HC   HB12    12     1.09836   110.31213    66.27573
   13    10 S   CT   _CG1    13     1.53029   112.62543  -171.40970
   14    13 S   HC   HG11    14     1.09594   110.29761   -58.22614
   15    13 S   HC   HG12    15     1.09609   110.24417    61.02605
   16    13 S   C    _CD1    16     1.51772   111.99342  -178.59751
   17    16 S   O    _OE1    17     1.22741   123.14971   -12.58120
   18    16 S   N    _N2_    18     1.38615   111.74942   167.49503
   19    18 S   H    _HN2    19     1.01586   119.08381     2.79568
   20    18 S   CT1  _CA2    20     1.46283   123.28058  -174.71194
   21    20 S   HC   _HA2    21     1.09726   109.34165   -16.10088
   22    20 S   C    _C2_    22     1.53317   108.49544  -132.10185
   23    22 S   O    _O2_    23     1.23008   122.24607  -145.81278
   24    20 S   CT   _CB2    32     1.53563   111.10457   105.76090
   25    24 S   HC   HB21    33     1.09593   109.50109    56.75712
   26    24 S   HC   HB22    34     1.09498   110.73847   175.59256
   27    22 S   N    _N3_    24     1.38508   113.31977    41.54853
   28    27 S   H    _HN3    25     1.01536   118.90746    -0.53559
   29    24 S   S    _SG2    35     1.82808   111.56004   -64.39948
   30    27 S   CT   _CA3    26     1.45446   123.40355   175.10535
   31    30 S   HC   HA31    27     1.09527   109.18100    25.38554
   32    30 S   HC   HA32    28     1.09494   107.13550   142.38217
   33    29 S   CT   _C13    36     1.82593    99.73339   156.25369
   34    33 S   HC   _H3_    37     1.09548   108.48728   -46.22636
   35    30 S   CO3  _C3_    29     1.52931   113.15879   -98.05064
   36    35 S   O2Z  _O31    30     1.26400   115.42557   -44.00921
   37    35 S   O2Z  _O32    31     1.26359   114.96836   136.93400
   38    33 S   CT   _C6_    38     1.53399   108.65238    74.72523
   39    38 S   HC   _H22    39     1.09518   113.47350    34.18201
   40    38 S   HC   _H23    40     1.09345   111.50201   -91.47391
   41    38 S   CO4  _C4_    41     1.50774   103.22735   150.23777
   42    41 S   O    _O16    42     1.22561   122.69203   174.87899
   43    41 S   CT   _C14    43     1.52655   112.46067    -3.13013
   44    43 S   CT   _C7_    44     1.55449   112.41763  -143.98573
   45    44 S   HC   _H24    45     1.09629   108.64732   -15.93703
   46    44 S   HC   _H25    46     1.09825   109.87584  -130.46005
   47    33 S   CT   _C10    56     1.54978   115.04545  -169.27547
   48    47 S   HC   _H29    57     1.09793   105.18727   -45.95811
   49    43 S   CT   _C17    73     1.54477   104.33061    97.02594
   50    49 S   HC   _H36    74     1.09226   112.57594  -174.19154
   51    49 S   HC   _H37    75     1.09721   110.42736    66.00222
   52    49 S   HC   _H38    76     1.09519   112.52966   -52.64145
   53    44 S   CT   _C9_    47     1.54517   115.96408   106.34998
   54    53 S   HC   _H28    48     1.09601   107.20811   -54.80138
   55    53 S   CT   _C12    49     1.53817   114.01332    68.12030
   56    55 S   HC   _H31    50     1.09651   110.33013  -148.62429
   57    55 S   CT   _C8_    51     1.53130   118.10954   -21.63980
   58    57 S   HC   _H26    52     1.09937   108.27102   174.06139
   59    57 S   HC   _H27    53     1.09581   108.90352    63.41819
   60    55 S   OS   _O18    62     1.44605   105.24404    96.51864
   61    57 S   CT   _C11    54     1.54368   116.74464   -61.93206
   62    61 S   HC   _H30    55     1.09813   106.88364   164.76898
   63    60 S   CO4  _C5_    63     1.36407   111.14965    12.79634
   64    63 S   O    _O17    64     1.22083   124.35663  -171.84982
   65    61 S   CT   _C16    58     1.53498   108.63787   -80.72814
   66    65 S   HC   _H33    59     1.09469   111.63154    76.45040
   67    65 S   HC   _H34    60     1.09578   111.17997   -43.88768
   68    65 S   HC   _H35    61     1.09246   111.34827  -161.55938
   69    53 S   CT   _C15    65     1.53991   114.52274  -174.92561
   70    69 S   CT   _C18    66     1.53777   111.44024   151.18648
   71    70 S   HC   _H39    67     1.09481   112.18442    56.31998
   72    70 S   HC   _H40    68     1.09554   110.17882   -65.22091
   73    69 S   OH   _O19    71     1.41218   113.61179    28.71362
   74    73 S   HO   _H41    72     0.97218   108.66388   -69.07313
   75    70 S   OH   _O20    69     1.42519   110.40040   176.55741
   76    75 S   HO   _H42    70     0.97234   107.15237   177.44074
  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
  15   8   2   1   1  10   5   4  13   4  17  19   7   6  16   5
   5   2   1   1  17   8  13   7  11   5   4   6   5   4   8   3
   3   2   1   1   7   6   4   3   2   1   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    47    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    43    61    47    48  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    57    61    62    47    48    65    49  
   38    39    40    41    43    61    47    48  
   36    37  
   37  
    0  
   39    40    41    42    43    44    61    47    48    49  
   40    41    42    43    47  
   41    42    43    47  
   42    43    44    45    46    53    61    47    48    49    50    51    52  
   43    44    47    49  
   44    45    46    53    54    55    57    61    62    47    48    65    69    49    50    51    52  
   45    46    53    54    55    56    57    61    47    48    60    63    69    70    73    49    50    51    52  
   46    53    54    55    47    69    49  
   53    54    55    47    69    49  
   48    65    66    67    68    49    50    51    52    53    55    57    58    59    61    62  
   65    49    57    61    62  
   50    51    52    53    61  
   51    52  
   52  
    0  
   54    55    56    57    58    59    61    60    63    64    69    70    71    72    75    73    74  
   55    56    57    60    63    69    70    73  
   56    57    58    59    61    62    65    60    63    64    69    70    73  
   57    58    59    61    60    63    69  
   58    59    61    62    65    66    67    68    60    63    69  
   59    61    62    65    60  
   61    62    65    60  
   63    64    69    70    73    61  
   62    65    66    67    68  
   65    66    67    68  
   64    69    70    71    72    75    73    74  
   69    70    73  
   66    67    68  
   67    68  
   68  
    0  
   70    71    72    75    76    73    74  
   71    72    75    76    73    74  
   72    75    76    73  
   75    76    73  
   74    75  
    0  
   76  
    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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   44   3.5000   0.0660  -0.120000   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   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   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   61   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   70   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   74   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   75   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   76   0.5000   0.0300   0.418000   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    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    47   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   317.000  1.522
   43    44   268.000  1.529
   43    47   268.000  1.529
   43    49   268.000  1.529
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    53   268.000  1.529
   53    54   340.000  1.090
   53    55   268.000  1.529
   53    69   268.000  1.529
   55    56   340.000  1.090
   55    57   268.000  1.529
   55    60   320.000  1.410
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    61   268.000  1.529
   61    62   340.000  1.090
   61    47   268.000  1.529
   61    65   268.000  1.529
   47    48   340.000  1.090
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   60    63   214.000  1.327
   63    64   570.000  1.229
   63    69   317.000  1.522
   69    70   268.000  1.529
   69    73   320.000  1.410
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    75   320.000  1.410
   75    76   553.000  0.945
   73    74   553.000  0.945
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    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    47    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    47    43    58.35000  112.70000
   33    47    61    58.35000  112.70000
   33    47    48    37.50000  110.70000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    70.00000  116.00000
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    63.00000  111.10000
   41    43    47    63.00000  111.10000
   41    43    49    63.00000  111.10000
   43    41    42    80.00000  120.40000
   43    44    45    37.50000  110.70000
   43    44    46    37.50000  110.70000
   43    44    53    58.35000  112.70000
   43    47    61    58.35000  112.70000
   43    47    48    37.50000  110.70000
   43    49    50    37.50000  110.70000
   43    49    51    37.50000  110.70000
   43    49    52    37.50000  110.70000
   44    53    54    37.50000  110.70000
   44    53    55    58.35000  112.70000
   44    53    69    58.35000  112.70000
   46    44    45    33.00000  107.80000
   53    44    45    37.50000  110.70000
   53    44    46    37.50000  110.70000
   53    55    56    37.50000  110.70000
   53    55    57    58.35000  112.70000
   53    55    60    50.00000  109.50000
   53    69    63    63.00000  111.10000
   53    69    70    58.35000  112.70000
   53    69    73    50.00000  109.50000
   55    53    54    37.50000  110.70000
   55    57    58    37.50000  110.70000
   55    57    59    37.50000  110.70000
   55    57    61    58.35000  112.70000
   55    60    63    83.00000  116.90000
   57    55    56    37.50000  110.70000
   57    61    62    37.50000  110.70000
   57    61    47    58.35000  112.70000
   57    61    65    58.35000  112.70000
   59    57    58    33.00000  107.80000
   61    57    58    37.50000  110.70000
   61    57    59    37.50000  110.70000
   61    47    48    37.50000  110.70000
   61    65    66    37.50000  110.70000
   61    65    67    37.50000  110.70000
   61    65    68    37.50000  110.70000
   47    33    34    37.50000  110.70000
   47    33    38    58.35000  112.70000
   47    43    44    58.35000  112.70000
   47    61    62    37.50000  110.70000
   65    61    62    37.50000  110.70000
   65    61    47    58.35000  112.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   60    55    56    35.00000  109.50000
   60    55    57    50.00000  109.50000
   60    63    64    83.00000  123.40000
   60    63    69    81.00000  111.40000
   63    69    70    63.00000  111.10000
   63    69    73    90.00000  109.61100
   69    53    54    37.50000  110.70000
   69    53    55    58.35000  112.70000
   69    63    64    80.00000  120.40000
   69    70    71    37.50000  110.70000
   69    70    72    37.50000  110.70000
   69    70    75    50.00000  109.50000
   69    73    74    55.00000  108.50000
   70    75    76    55.00000  108.50000
   72    70    71    33.00000  107.80000
   75    70    71    35.00000  109.50000
   75    70    72    35.00000  109.50000
   73    69    70    50.00000  109.50000
   49    43    44    58.35000  112.70000
   49    43    47    58.35000  112.70000
   51    49    50    33.00000  107.80000
   52    49    50    33.00000  107.80000
   52    49    51    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  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    47   0.01700  1.0 1.0
   24    29    33    47  -0.23550 -1.0 2.0
   24    29    33    47   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    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    47    43   0.44750  1.0 1.0
   29    33    47    43  -0.17800 -1.0 2.0
   29    33    47    43   0.20200  1.0 3.0
   29    33    47    61   0.44750  1.0 1.0
   29    33    47    61  -0.17800 -1.0 2.0
   29    33    47    61   0.20200  1.0 3.0
   29    33    47    48   0.15000  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38   -41    43   0.60050  1.0 1.0
   33    38   -41    43   0.05600 -1.0 2.0
   33    38   -41    43   0.26150  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    41  -0.11250  1.0 3.0
   34    33    47    43   0.15000  1.0 3.0
   34    33    47    61   0.15000  1.0 3.0
   34    33    47    48   0.15000  1.0 3.0
   38    33   -47    43   0.56750  1.0 1.0
   38    33   -47    43  -0.07550 -1.0 2.0
   38    33   -47    43   0.20000  1.0 3.0
   38    33    47    61   0.56750  1.0 1.0
   38    33    47    61  -0.07550 -1.0 2.0
   38    33    47    61   0.20000  1.0 3.0
   38    33    47    48   0.15000  1.0 3.0
   38    41    43    44   0.60050  1.0 1.0
   38    41    43    44   0.05600 -1.0 2.0
   38    41    43    44   0.26150  1.0 3.0
   38    41   -43    47   0.60050  1.0 1.0
   38    41   -43    47   0.05600 -1.0 2.0
   38    41   -43    47   0.26150  1.0 3.0
   38    41    43    49   0.60050  1.0 1.0
   38    41    43    49   0.05600 -1.0 2.0
   38    41    43    49   0.26150  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.00000  1.0 1.0
   41    43    44    45  -0.11250  1.0 3.0
   41    43    44    46  -0.11250  1.0 3.0
   41    43    44    53  -0.95700  1.0 1.0
   41    43    44    53  -0.18200 -1.0 2.0
   41    43    44    53   0.29450  1.0 3.0
   41    43   -47    33  -0.95700  1.0 1.0
   41    43   -47    33  -0.18200 -1.0 2.0
   41    43   -47    33   0.29450  1.0 3.0
   41    43    47    61  -0.95700  1.0 1.0
   41    43    47    61  -0.18200 -1.0 2.0
   41    43    47    61   0.29450  1.0 3.0
   41    43    47    48  -0.11250  1.0 3.0
   41    43    49    50  -0.11250  1.0 3.0
   41    43    49    51  -0.11250  1.0 3.0
   41    43    49    52  -0.11250  1.0 3.0
   42    41    43    44   0.30150 -1.0 2.0
   42    41    43    47   0.30150 -1.0 2.0
   42    41    43    49   0.30150 -1.0 2.0
   43    44    53    54   0.15000  1.0 3.0
   43    44    53    55   0.56750  1.0 1.0
   43    44    53    55  -0.07550 -1.0 2.0
   43    44    53    55   0.20000  1.0 3.0
   43    44    53    69   0.56750  1.0 1.0
   43    44    53    69  -0.07550 -1.0 2.0
   43    44    53    69   0.20000  1.0 3.0
   44    43    47    33   0.56750  1.0 1.0
   44    43    47    33  -0.07550 -1.0 2.0
   44    43    47    33   0.20000  1.0 3.0
   44    43    47    61   0.56750  1.0 1.0
   44    43    47    61  -0.07550 -1.0 2.0
   44    43    47    61   0.20000  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    49    50   0.15000  1.0 3.0
   44    43    49    51   0.15000  1.0 3.0
   44    43    49    52   0.15000  1.0 3.0
   44    53    55    56   0.15000  1.0 3.0
   44    53    55    57   0.56750  1.0 1.0
   44    53    55    57  -0.07550 -1.0 2.0
   44    53    55    57   0.20000  1.0 3.0
   44    53    55    60   0.62750  1.0 1.0
   44    53    55    60  -0.30950 -1.0 2.0
   44    53    55    60   0.27300  1.0 3.0
   44    53    69    63  -0.95700  1.0 1.0
   44    53    69    63  -0.18200 -1.0 2.0
   44    53    69    63   0.29450  1.0 3.0
   44    53    69    70   0.56750  1.0 1.0
   44    53    69    70  -0.07550 -1.0 2.0
   44    53    69    70   0.20000  1.0 3.0
   44    53    69    73   0.86500  1.0 1.0
   44    53    69    73  -0.17500 -1.0 2.0
   44    53    69    73   0.20800  1.0 3.0
   45    44    53    54   0.15000  1.0 3.0
   45    44    53    55   0.15000  1.0 3.0
   45    44    53    69   0.15000  1.0 3.0
   46    44    53    54   0.15000  1.0 3.0
   46    44    53    55   0.15000  1.0 3.0
   46    44    53    69   0.15000  1.0 3.0
   53    55    57    58   0.15000  1.0 3.0
   53    55    57    59   0.15000  1.0 3.0
   53    55    57    61   0.56750  1.0 1.0
   53    55    57    61  -0.07550 -1.0 2.0
   53    55    57    61   0.20000  1.0 3.0
   53    55   -60    63  -0.25900  1.0 1.0
   53    55   -60    63  -0.47000 -1.0 2.0
   53    55   -60    63   0.11750  1.0 3.0
   53    69    70    71   0.15000  1.0 3.0
   53    69    70    72   0.15000  1.0 3.0
   53    69    70    75   0.86500  1.0 1.0
   53    69    70    75  -0.17500 -1.0 2.0
   53    69    70    75   0.20800  1.0 3.0
   53    69    73    74  -0.11600  1.0 1.0
   53    69    73    74  -0.09450 -1.0 2.0
   53    69    73    74   0.21250  1.0 3.0
   54    53    55    56   0.15000  1.0 3.0
   54    53    55    57   0.15000  1.0 3.0
   54    53    55    60   0.23400  1.0 3.0
   54    53    69    63  -0.11250  1.0 3.0
   54    53    69    70   0.15000  1.0 3.0
   54    53    69    73   0.23400  1.0 3.0
   55    53   -69    63  -0.95700  1.0 1.0
   55    53   -69    63  -0.18200 -1.0 2.0
   55    53   -69    63   0.29450  1.0 3.0
   55    53    69    70   0.56750  1.0 1.0
   55    53    69    70  -0.07550 -1.0 2.0
   55    53    69    70   0.20000  1.0 3.0
   55    53    69    73   0.86500  1.0 1.0
   55    53    69    73  -0.17500 -1.0 2.0
   55    53    69    73   0.20800  1.0 3.0
   55    57    61    62   0.15000  1.0 3.0
   55    57    61    47   0.56750  1.0 1.0
   55    57    61    47  -0.07550 -1.0 2.0
   55    57    61    47   0.20000  1.0 3.0
   55    57    61    65   0.56750  1.0 1.0
   55    57    61    65  -0.07550 -1.0 2.0
   55    57    61    65   0.20000  1.0 3.0
   55    60    63    64   3.00000 -1.0 2.0
   55    60   -63    69   1.63150  1.0 1.0
   55    60   -63    69   2.92000 -1.0 2.0
   56    55    57    58   0.15000  1.0 3.0
   56    55    57    59   0.15000  1.0 3.0
   56    55    57    61   0.15000  1.0 3.0
   56    55    60    63   0.08050  1.0 3.0
   57    55    60    63  -0.25900  1.0 1.0
   57    55    60    63  -0.47000 -1.0 2.0
   57    55    60    63   0.11750  1.0 3.0
   57    61    47    33   0.56750  1.0 1.0
   57    61    47    33  -0.07550 -1.0 2.0
   57    61    47    33   0.20000  1.0 3.0
   57    61    47    43   0.56750  1.0 1.0
   57    61    47    43  -0.07550 -1.0 2.0
   57    61    47    43   0.20000  1.0 3.0
   57    61    47    48   0.15000  1.0 3.0
   57    61    65    66   0.15000  1.0 3.0
   57    61    65    67   0.15000  1.0 3.0
   57    61    65    68   0.15000  1.0 3.0
   58    57    61    62   0.15000  1.0 3.0
   58    57    61    47   0.15000  1.0 3.0
   58    57    61    65   0.15000  1.0 3.0
   59    57    61    62   0.15000  1.0 3.0
   59    57    61    47   0.15000  1.0 3.0
   59    57    61    65   0.15000  1.0 3.0
   62    61    47    33   0.15000  1.0 3.0
   62    61    47    43   0.15000  1.0 3.0
   62    61    47    48   0.15000  1.0 3.0
   62    61    65    66   0.15000  1.0 3.0
   62    61    65    67   0.15000  1.0 3.0
   62    61    65    68   0.15000  1.0 3.0
   47    33    38    39   0.15000  1.0 3.0
   47    33    38    40   0.15000  1.0 3.0
   47    33   -38    41  -0.95700  1.0 1.0
   47    33   -38    41  -0.18200 -1.0 2.0
   47    33   -38    41   0.29450  1.0 3.0
   47    43    44    45   0.15000  1.0 3.0
   47    43    44    46   0.15000  1.0 3.0
   47    43    44    53   0.56750  1.0 1.0
   47    43    44    53  -0.07550 -1.0 2.0
   47    43    44    53   0.20000  1.0 3.0
   47    43    49    50   0.15000  1.0 3.0
   47    43    49    51   0.15000  1.0 3.0
   47    43    49    52   0.15000  1.0 3.0
   47    61    65    66   0.15000  1.0 3.0
   47    61    65    67   0.15000  1.0 3.0
   47    61    65    68   0.15000  1.0 3.0
   65    61    47    33   0.56750  1.0 1.0
   65    61    47    33  -0.07550 -1.0 2.0
   65    61    47    33   0.20000  1.0 3.0
   65    61    47    43   0.56750  1.0 1.0
   65    61    47    43  -0.07550 -1.0 2.0
   65    61    47    43   0.20000  1.0 3.0
   65    61    47    48   0.15000  1.0 3.0
   60    55    57    58   0.23400  1.0 3.0
   60    55    57    59   0.23400  1.0 3.0
   60    55    57    61   0.62750  1.0 1.0
   60    55    57    61  -0.30950 -1.0 2.0
   60    55    57    61   0.27300  1.0 3.0
   60    63   -69    53   0.36750  1.0 3.0
   60    63    69    70   0.36750  1.0 3.0
   60    63    69    73   0.30750  1.0 1.0
   60    63    69    73   1.13850 -1.0 2.0
   60    63    69    73   0.38850  1.0 3.0
   63    69    70    71  -0.11250  1.0 3.0
   63    69    70    72  -0.11250  1.0 3.0
   63    69    70    75  -0.09450  1.0 1.0
   63    69    70    75  -1.12950 -1.0 2.0
   63    69    70    75   0.54000  1.0 3.0
   63    69    73    74   0.91850  1.0 1.0
   63    69    73    74   0.57950  1.0 3.0
   64    63    69    53   0.30150 -1.0 2.0
   64    63    69    70   0.30150 -1.0 2.0
   64    63    69    73   0.30150 -1.0 2.0
   69    53    55    56   0.15000  1.0 3.0
   69    53    55    57   0.56750  1.0 1.0
   69    53    55    57  -0.07550 -1.0 2.0
   69    53    55    57   0.20000  1.0 3.0
   69    53   -55    60   0.62750  1.0 1.0
   69    53   -55    60  -0.30950 -1.0 2.0
   69    53   -55    60   0.27300  1.0 3.0
   69    70    75    76  -0.11600  1.0 1.0
   69    70    75    76  -0.09450 -1.0 2.0
   69    70    75    76   0.21250  1.0 3.0
   70    69    73    74  -0.11600  1.0 1.0
   70    69    73    74  -0.09450 -1.0 2.0
   70    69    73    74   0.21250  1.0 3.0
   71    70    75    76   0.19450  1.0 3.0
   72    70    75    76   0.19450  1.0 3.0
   73    69    70    71   0.23400  1.0 3.0
   73    69    70    72   0.23400  1.0 3.0
   73    69    70    75   3.75450  1.0 1.0
   49    43    44    45   0.15000  1.0 3.0
   49    43    44    46   0.15000  1.0 3.0
   49    43    44    53   0.56750  1.0 1.0
   49    43    44    53  -0.07550 -1.0 2.0
   49    43    44    53   0.20000  1.0 3.0
   49    43    47    33   0.56750  1.0 1.0
   49    43    47    33  -0.07550 -1.0 2.0
   49    43    47    33   0.20000  1.0 3.0
   49    43    47    61   0.56750  1.0 1.0
   49    43    47    61  -0.07550 -1.0 2.0
   49    43    47    61   0.20000  1.0 3.0
   49    43    47    48   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
   37    30    35    36  10.50000 -1.0 2.0
   38    43    41    42  10.50000 -1.0 2.0
   60    69    63    64  10.50000 -1.0 2.0
END
