* LIGAND DATABASE FILE (OPLS2005)
*
001      80    81    147    223     431
    1     0 S   NP   _N1_     1    28.91357    95.10193   -19.80504
    2     1 S   H    _HN1     2     1.02833    36.82120   147.23776
    3     1 S   H    _H1_     3     1.02777    80.25949   -74.18139
    4     1 S   H    _H2_     4     1.02962    93.95545    33.75469
    5     1 S   CT   _CA1     5     1.50129   145.93686   170.25492
    6     5 S   HC   _HA1     6     1.09579   105.23102    44.69522
    7     5 S   CO3  _C1_     7     1.53821   112.29489   -75.47363
    8     7 S   O2Z  _O11     8     1.26366   115.00181   -45.11667
    9     7 S   O2Z  _O12     9     1.26246   114.90003   133.89229
   10     5 S   CT   _CB1    10     1.53079   107.39598   162.54448
   11    10 S   HC   HB11    11     1.09821   109.35150   -50.74922
   12    10 S   HC   HB12    12     1.09827   110.42178    65.81368
   13    10 S   CT   _CG1    13     1.52985   112.64757  -171.89710
   14    13 S   HC   HG11    14     1.09567   110.29086   -61.97050
   15    13 S   HC   HG12    15     1.09637   110.13951    57.14396
   16    13 S   C    _CD1    16     1.51821   112.20264   177.28957
   17    16 S   O    _OE1    17     1.22739   123.21791   -10.33729
   18    16 S   N    _N2_    18     1.38578   111.69807   170.37972
   19    18 S   H    _HN2    19     1.01587   118.89100     0.12195
   20    18 S   CT1  _CA2    20     1.46187   123.45140  -178.08072
   21    20 S   HC   _HA2    21     1.09722   109.41463   -15.25508
   22    20 S   C    _C2_    22     1.53379   108.19838  -131.10578
   23    22 S   O    _O2_    23     1.23012   122.25375  -145.33900
   24    20 S   CT   _CB2    32     1.53488   111.29378   106.96531
   25    24 S   HC   HB21    33     1.09396   109.27460    56.52879
   26    24 S   HC   HB22    34     1.09531   110.42125   174.45896
   27    22 S   N    _N3_    24     1.38505   113.33520    41.93326
   28    27 S   H    _HN3    25     1.01538   118.90720    -0.58551
   29    24 S   S    _SG2    35     1.83269   111.60072   -66.79531
   30    27 S   CT   _CA3    26     1.45446   123.44381   175.17444
   31    30 S   HC   HA31    27     1.09524   109.22798    24.56370
   32    30 S   HC   HA32    28     1.09495   107.12710   141.56352
   33    29 S   CT   _C16    36     1.90296   102.37920   141.85220
   34    30 S   CO3  _C3_    29     1.52922   113.10298   -98.90781
   35    34 S   O2Z  _O31    30     1.26402   115.39569   -44.79531
   36    34 S   O2Z  _O32    31     1.26353   114.98434   136.12576
   37    33 S   CO4  _C7_    37     1.54703   105.15270   -57.97377
   38    37 S   O    _O20    38     1.23293   122.24363   -43.73696
   39    33 S   CT   _C17    53     1.60009   110.16458  -176.13588
   40    37 S   CM   _C5_    39     1.49511   119.41313   138.52698
   41    39 S   CM   _C10    54     1.53969   111.46022   169.18076
   42    41 S   HC   _H28    55     1.08784   117.01106    78.26600
   43    39 S   CT   _C19    59     1.55848   113.19736    45.83792
   44    43 S   HC   _H38    60     1.09492   112.45502   -67.13228
   45    43 S   HC   _H39    61     1.09777   110.92952   174.72950
   46    43 S   HC   _H40    62     1.09389   112.63295    54.44318
   47    40 S   CM   _C4_    40     1.34013   121.57621     6.74122
   48    41 S   CM   _C8_    56     1.34045   127.71730  -101.94890
   49    48 S   HC   _H24    57     1.08544   120.08499  -179.90109
   50    48 S   HC   _H25    58     1.08344   122.82245     0.87960
   51    40 S   OS   _O22    76     1.38624   117.47068   179.49487
   52    47 S   CO4  _C6_    41     1.48868   120.73751    -9.49465
   53    52 S   O    _O19    42     1.22846   119.33552   165.23058
   54    47 S   OS   _O21    71     1.38359   121.72899   175.07292
   55    51 S   CT   _C21    77     1.42643   110.54352    81.38292
   56    55 S   HC   _H44    78     1.09391   107.90045   177.19704
   57    55 S   HC   _H45    79     1.09561   110.93884    58.90647
   58    55 S   HC   _H46    80     1.09477   111.49220   -64.30029
   59    33 S   CT   _C14    43     1.55742   107.44410    60.81041
   60    59 S   HC   _H33    44     1.09796   109.05486   -49.35429
   61    54 S   CT   _C20    72     1.42690   110.51546   -93.14150
   62    61 S   HC   _H41    73     1.09391   107.90021  -179.33002
   63    61 S   HC   _H42    74     1.09541   111.03606    62.36189
   64    61 S   HC   _H43    75     1.09503   111.38517   -60.80010
   65    59 S   CT   _C15    45     1.55881   112.95098    69.65170
   66    65 S   HC   _H34    46     1.09946   107.33094   -59.27683
   67    65 S   CT   _C12    47     1.53801   110.80054    54.69934
   68    67 S   HC   _H29    48     1.09789   109.65471  -174.73043
   69    67 S   HC   _H30    49     1.09513   111.03683    68.34720
   70    65 S   CM   _C11    63     1.53315   113.91837  -173.09442
   71    67 S   CT   _C13    50     1.53038   112.00425   -55.03458
   72    71 S   HC   _H31    51     1.09889   108.37282   178.34850
   73    71 S   HC   _H32    52     1.09820   107.75620   -68.00740
   74    70 S   CM   _C9_    64     1.34406   124.67320  -119.28769
   75    74 S   HC   _H26    65     1.08561   121.21172  -179.04141
   76    74 S   HC   _H27    66     1.08352   122.54298     1.71475
   77    70 S   CT   _C18    67     1.50827   115.91965    62.94480
   78    77 S   HC   _H35    68     1.09403   110.75888   -69.62171
   79    77 S   HC   _H36    69     1.09491   110.41792    50.84170
   80    77 S   HC   _H37    70     1.09549   112.15525   170.41245
  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  12   5   4   3
  24   2   1   1  14   5  20  11  13   5   9   3   2   1  12   3
   1   1   6   9   4   5   3   2   1   1  10   4   3   2   1   1
  15   7   8   5   4   8   2   1   1   6   2   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    59    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    52    59    60    65    71    39    41    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    47    52    53    59    60    65    66    67    71    72    73    39    41    42    48    43    44    45    46    70    51  
   35    36  
   36  
    0  
   38    40    47    52    59    60    65    71    39    41    43    54    51    55  
   40    47    59    39    51  
   41    42    48    49    50    43    44    45    46    40    52    59    60    65    67    68    69    71    72    73  
   47    52    53    59    54    61    51    55    56    57    58  
   42    48    49    50    43    44    45    46    59    67    71    72    73  
   48    49    50    43    71  
   44    45    46    48    59    67    71    72    73  
   45    46    71  
   46    71  
   71  
   52    53    59    60    65    54    61    62    63    64    51    55  
   49    50    71  
   50  
    0  
   55    56    57    58    52    54  
   53    59    60    65    66    67    70    54    61  
   59    60    65    54  
   61    62    63    64    59  
   56    57    58  
   57    58  
   58  
    0  
   60    65    66    67    68    69    71    70    74    77  
   65    66    67    70  
   62    63    64  
   63    64  
   64  
    0  
   66    67    68    69    71    72    73    70    74    75    76    77    78    79    80  
   67    68    69    71    70    74    77  
   68    69    71    72    73    70    74    77  
   69    71    72    73    70  
   71    72    73    70  
   74    75    76    77    78    79    80    71  
   72    73  
   73  
    0  
   75    76    77    78    79    80  
   76    77  
   77  
   78    79    80  
   79    80  
   80  
    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   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   39   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   42   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   48   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   49   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   52   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   54   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   55   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   71   3.5000   0.0660  -0.120000   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   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
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  1.522
   33    59   268.000  1.529
   33    39   268.000  1.529
   37    38   570.000  1.229
   37    40   320.000  1.462
   40    47   549.000  1.340
   40    51   440.000  1.360
   47    52   320.000  1.462
   47    54   440.000  1.360
   52    53   570.000  1.229
   52    59   317.000  1.522
   59    60   340.000  1.090
   59    65   268.000  1.529
   65    66   340.000  1.090
   65    67   268.000  1.529
   65    70   317.000  1.510
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    39   268.000  1.529
   39    41   317.000  1.510
   39    43   268.000  1.529
   41    42   340.000  1.080
   41    48   549.000  1.340
   48    49   340.000  1.080
   48    50   340.000  1.080
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   70    74   549.000  1.340
   70    77   317.000  1.510
   74    75   340.000  1.080
   74    76   340.000  1.080
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   54    61   320.000  1.410
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   340.000  1.090
   51    55   320.000  1.410
   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    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  110.18000
   29    33    59    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    80.00000  120.40000
   33    37    40    65.00000  118.62400
   33    59    52    63.00000  111.10000
   33    59    60    37.50000  110.70000
   33    59    65    58.35000  112.70000
   33    39    71    58.35000  112.70000
   33    39    41    70.00000  112.02700
   33    39    43    58.35000  112.70000
   37    40    47    65.00000  118.96000
   37    40    51    85.00000  116.28000
   40    37    38    80.00000  123.72100
   40    47    52    65.00000  118.96000
   40    47    54    80.00000  120.01400
   40    51    55    90.00000  111.18400
   47    52    53    80.00000  123.72100
   47    52    59    65.00000  118.62400
   47    54    61    90.00000  111.18400
   52    59    60    35.00000  109.50000
   52    59    65    63.00000  111.10000
   59    33    37    63.00000  111.10000
   59    52    53    80.00000  120.40000
   59    65    66    37.50000  110.70000
   59    65    67    58.35000  112.70000
   59    65    70    70.00000  112.02700
   65    59    60    37.50000  110.70000
   65    67    68    37.50000  110.70000
   65    67    69    37.50000  110.70000
   65    67    71    58.35000  112.70000
   65    70    74    70.00000  124.00000
   65    70    77    65.00000  117.92700
   67    65    66    37.50000  110.70000
   67    71    72    37.50000  110.70000
   67    71    73    37.50000  110.70000
   67    71    39    58.35000  112.70000
   69    67    68    33.00000  107.80000
   71    67    68    37.50000  110.70000
   71    67    69    37.50000  110.70000
   71    39    41    70.00000  112.02700
   71    39    43    58.35000  112.70000
   73    71    72    33.00000  107.80000
   39    33    37    63.00000  111.10000
   39    33    59    58.35000  112.70000
   39    71    72    37.50000  110.70000
   39    71    73    37.50000  110.70000
   39    41    42    35.00000  117.00000
   39    41    48    70.00000  124.00000
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    46    37.50000  110.70000
   41    48    49    35.00000  120.00000
   41    48    50    35.00000  120.00000
   48    41    42    35.00000  120.00000
   50    48    49    35.00000  117.00000
   43    39    41    70.00000  112.02700
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   70    65    66    35.00000  109.50000
   70    65    67    70.00000  112.02700
   70    74    75    35.00000  120.00000
   70    74    76    35.00000  120.00000
   70    77    78    35.00000  109.50000
   70    77    79    35.00000  109.50000
   70    77    80    35.00000  109.50000
   76    74    75    35.00000  117.00000
   77    70    74    70.00000  124.00000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   54    47    52    85.00000  116.28000
   54    61    62    35.00000  109.50000
   54    61    63    35.00000  109.50000
   54    61    64    35.00000  109.50000
   63    61    62    33.00000  107.80000
   64    61    62    33.00000  107.80000
   64    61    63    33.00000  107.80000
   51    40    47    80.00000  120.01400
   51    55    56    35.00000  109.50000
   51    55    57    35.00000  109.50000
   51    55    58    35.00000  109.50000
   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    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   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    59   0.01700  1.0 1.0
   24    29    33    59  -0.23550 -1.0 2.0
   24    29    33    59   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   0.30150 -1.0 2.0
   29    33    37    40   0.65300  1.0 1.0
   29    33    37    40  -0.03850 -1.0 2.0
   29    33    37    40   0.33900  1.0 3.0
   29    33    59    52   0.56750  1.0 1.0
   29    33    59    52  -0.07550 -1.0 2.0
   29    33    59    52   0.20000  1.0 3.0
   29    33    59    60   0.15000  1.0 3.0
   29    33    59    65   0.44750  1.0 1.0
   29    33    59    65  -0.17800 -1.0 2.0
   29    33    59    65   0.20200  1.0 3.0
   29    33    39    71   0.44750  1.0 1.0
   29    33    39    71  -0.17800 -1.0 2.0
   29    33    39    71   0.20200  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    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
   33    37    40    47  -0.33500  1.0 1.0
   33    37    40    47   1.06600 -1.0 2.0
   33    37    40    47  -0.14000  1.0 3.0
   33    37    40    51   0.32450 -1.0 2.0
   33    37    40    51   0.17400  1.0 3.0
   33    59    65    66   0.15000  1.0 3.0
   33    59    65    67   0.56750  1.0 1.0
   33    59    65    67  -0.07550 -1.0 2.0
   33    59    65    67   0.20000  1.0 3.0
   33    59    65    70   0.34400  1.0 1.0
   33    59    65    70   0.09450 -1.0 2.0
   33    59    65    70   0.11100  1.0 3.0
   33    39    41    42   0.00000  1.0 1.0
   33    39    41    48   0.09850  1.0 1.0
   33    39    41    48   0.15250 -1.0 2.0
   33    39    41    48  -0.50650  1.0 3.0
   33    39    43    44   0.15000  1.0 3.0
   33    39    43    45   0.15000  1.0 3.0
   33    39    43    46   0.15000  1.0 3.0
   37    33    59    52   0.11950  1.0 1.0
   37    33    59    52   0.20300 -1.0 2.0
   37    33    59    52  -0.70800  1.0 3.0
   37    33    59    60  -0.11250  1.0 3.0
   37    33    59    65  -0.95700  1.0 1.0
   37    33    59    65  -0.18200 -1.0 2.0
   37    33    59    65   0.29450  1.0 3.0
   37    33    39    71  -0.95700  1.0 1.0
   37    33    39    71  -0.18200 -1.0 2.0
   37    33    39    71   0.29450  1.0 3.0
   37    33    39    41  -0.98800  1.0 1.0
   37    33    39    41   0.48800 -1.0 2.0
   37    33    39    41   0.76800  1.0 3.0
   37    33    39    43  -0.95700  1.0 1.0
   37    33    39    43  -0.18200 -1.0 2.0
   37    33    39    43   0.29450  1.0 3.0
   37    40   -47    52   7.00000 -1.0 2.0
   37    40    47    54   7.00000 -1.0 2.0
   37    40    51    55   0.15100 -1.0 2.0
   38    37    40    47   1.00000 -1.0 2.0
   38    37    40    51  -0.11900  1.0 1.0
   38    37    40    51   0.76850 -1.0 2.0
   38    37    40    51   0.14100  1.0 3.0
   40    47    52    53   1.00000 -1.0 2.0
   40    47    52    59  -0.33500  1.0 1.0
   40    47    52    59   1.06600 -1.0 2.0
   40    47    52    59  -0.14000  1.0 3.0
   40    47    54    61  -2.26850  1.0 1.0
   40    47    54    61   3.39050 -1.0 2.0
   40    51    55    56   0.08050  1.0 3.0
   40    51    55    57   0.08050  1.0 3.0
   40    51    55    58   0.08050  1.0 3.0
   47    40    51    55  -2.26850  1.0 1.0
   47    40    51    55   3.39050 -1.0 2.0
   47    52   -59    33   0.65300  1.0 1.0
   47    52   -59    33  -0.03850 -1.0 2.0
   47    52   -59    33   0.33900  1.0 3.0
   47    52    59    60   0.00000  1.0 1.0
   47    52    59    65   0.65300  1.0 1.0
   47    52    59    65  -0.03850 -1.0 2.0
   47    52    59    65   0.33900  1.0 3.0
   47    54    61    62   0.08050  1.0 3.0
   47    54    61    63   0.08050  1.0 3.0
   47    54    61    64   0.08050  1.0 3.0
   52    47    54    61   0.15100 -1.0 2.0
   52    59    65    66  -0.11250  1.0 3.0
   52    59    65    67  -0.95700  1.0 1.0
   52    59    65    67  -0.18200 -1.0 2.0
   52    59    65    67   0.29450  1.0 3.0
   52    59    65    70  -0.98800  1.0 1.0
   52    59    65    70   0.48800 -1.0 2.0
   52    59    65    70   0.76800  1.0 3.0
   53    52    59    33   0.30150 -1.0 2.0
   53    52    59    60   0.00000  1.0 1.0
   53    52    59    65   0.30150 -1.0 2.0
   59    33    37    38   0.30150 -1.0 2.0
   59    33   -37    40   0.65300  1.0 1.0
   59    33   -37    40  -0.03850 -1.0 2.0
   59    33   -37    40   0.33900  1.0 3.0
   59    33    39    71   0.56750  1.0 1.0
   59    33    39    71  -0.07550 -1.0 2.0
   59    33    39    71   0.20000  1.0 3.0
   59    33    39    41   0.34400  1.0 1.0
   59    33    39    41   0.09450 -1.0 2.0
   59    33    39    41   0.11100  1.0 3.0
   59    33    39    43   0.56750  1.0 1.0
   59    33    39    43  -0.07550 -1.0 2.0
   59    33    39    43   0.20000  1.0 3.0
   59    65    67    68   0.15000  1.0 3.0
   59    65    67    69   0.15000  1.0 3.0
   59    65   -67    71   0.56750  1.0 1.0
   59    65   -67    71  -0.07550 -1.0 2.0
   59    65   -67    71   0.20000  1.0 3.0
   59    65    70    74   0.09850  1.0 1.0
   59    65    70    74   0.15250 -1.0 2.0
   59    65    70    74  -0.50650  1.0 3.0
   59    65    70    77   0.46850  1.0 1.0
   59    65    70    77   0.08550 -1.0 2.0
   59    65    70    77   0.09800  1.0 3.0
   60    59    65    66   0.15000  1.0 3.0
   60    59    65    67   0.15000  1.0 3.0
   60    59    65    70   0.15000  1.0 3.0
   65    67    71    72   0.15000  1.0 3.0
   65    67    71    73   0.15000  1.0 3.0
   65    67    71    39   0.56750  1.0 1.0
   65    67    71    39  -0.07550 -1.0 2.0
   65    67    71    39   0.20000  1.0 3.0
   65    70    74    75   7.00000 -1.0 2.0
   65    70    74    76   7.00000 -1.0 2.0
   65    70    77    78   0.34800  1.0 3.0
   65    70    77    79   0.34800  1.0 3.0
   65    70    77    80   0.34800  1.0 3.0
   66    65    67    68   0.15000  1.0 3.0
   66    65    67    69   0.15000  1.0 3.0
   66    65    67    71   0.15000  1.0 3.0
   66    65    70    74   0.00000  1.0 1.0
   66    65    70    77   0.34800  1.0 3.0
   67    65    70    74   0.09850  1.0 1.0
   67    65    70    74   0.15250 -1.0 2.0
   67    65    70    74  -0.50650  1.0 3.0
   67    65    70    77   0.46850  1.0 1.0
   67    65    70    77   0.08550 -1.0 2.0
   67    65    70    77   0.09800  1.0 3.0
   67    71   -39    33   0.56750  1.0 1.0
   67    71   -39    33  -0.07550 -1.0 2.0
   67    71   -39    33   0.20000  1.0 3.0
   67    71    39    41   0.34400  1.0 1.0
   67    71    39    41   0.09450 -1.0 2.0
   67    71    39    41   0.11100  1.0 3.0
   67    71    39    43   0.56750  1.0 1.0
   67    71    39    43  -0.07550 -1.0 2.0
   67    71    39    43   0.20000  1.0 3.0
   68    67    71    72   0.15000  1.0 3.0
   68    67    71    73   0.15000  1.0 3.0
   68    67    71    39   0.15000  1.0 3.0
   69    67    71    72   0.15000  1.0 3.0
   69    67    71    73   0.15000  1.0 3.0
   69    67    71    39   0.15000  1.0 3.0
   71    39    41    42   0.00000  1.0 1.0
   71    39    41    48   0.09850  1.0 1.0
   71    39    41    48   0.15250 -1.0 2.0
   71    39    41    48  -0.50650  1.0 3.0
   71    39    43    44   0.15000  1.0 3.0
   71    39    43    45   0.15000  1.0 3.0
   71    39    43    46   0.15000  1.0 3.0
   72    71    39    33   0.15000  1.0 3.0
   72    71    39    41   0.15000  1.0 3.0
   72    71    39    43   0.15000  1.0 3.0
   73    71    39    33   0.15000  1.0 3.0
   73    71    39    41   0.15000  1.0 3.0
   73    71    39    43   0.15000  1.0 3.0
   39    33    37    38   0.30150 -1.0 2.0
   39    33    37    40   0.65300  1.0 1.0
   39    33    37    40  -0.03850 -1.0 2.0
   39    33    37    40   0.33900  1.0 3.0
   39    33    59    52  -0.95700  1.0 1.0
   39    33    59    52  -0.18200 -1.0 2.0
   39    33    59    52   0.29450  1.0 3.0
   39    33    59    60   0.15000  1.0 3.0
   39    33   -59    65   0.56750  1.0 1.0
   39    33   -59    65  -0.07550 -1.0 2.0
   39    33   -59    65   0.20000  1.0 3.0
   39    41    48    49   7.00000 -1.0 2.0
   39    41    48    50   7.00000 -1.0 2.0
   41    39    43    44   0.15000  1.0 3.0
   41    39    43    45   0.15000  1.0 3.0
   41    39    43    46   0.15000  1.0 3.0
   42    41    48    49   7.00000 -1.0 2.0
   42    41    48    50   7.00000 -1.0 2.0
   43    39    41    42   0.00000  1.0 1.0
   43    39    41    48   0.09850  1.0 1.0
   43    39    41    48   0.15250 -1.0 2.0
   43    39    41    48  -0.50650  1.0 3.0
   70    65    67    68   0.15000  1.0 3.0
   70    65    67    69   0.15000  1.0 3.0
   70    65    67    71   0.34400  1.0 1.0
   70    65    67    71   0.09450 -1.0 2.0
   70    65    67    71   0.11100  1.0 3.0
   74    70    77    78   0.00000  1.0 1.0
   74    70    77    79   0.00000  1.0 1.0
   74    70    77    80   0.00000  1.0 1.0
   77    70    74    75   7.00000 -1.0 2.0
   77    70    74    76   7.00000 -1.0 2.0
   54    47    52    53  -0.11900  1.0 1.0
   54    47    52    53   0.76850 -1.0 2.0
   54    47    52    53   0.14100  1.0 3.0
   54    47    52    59   0.32450 -1.0 2.0
   54    47    52    59   0.17400  1.0 3.0
   51    40    47    52   7.00000 -1.0 2.0
   51    40    47    54   7.00000 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    40    37    38  10.50000 -1.0 2.0
   37    51    40    47   1.10000 -1.0 2.0
   52    54    47    40   1.10000 -1.0 2.0
   47    59    52    53  10.50000 -1.0 2.0
   39    42    41    48  15.00000 -1.0 2.0
   49    50    48    41  15.00000 -1.0 2.0
   65    77    70    74  15.00000 -1.0 2.0
   75    76    74    70  15.00000 -1.0 2.0
END
