* LIGAND DATABASE FILE (OPLS2005)
*
001      77    79    151    244     459
    1     0 S   NP   _N1_     1    29.58357    97.53359   -19.03261
    2     1 S   H    _HN1     2     1.02944    66.49440    18.01894
    3     1 S   H    _H1_     3     1.02830    55.72318   151.01197
    4     1 S   H    _H2_     4     1.02791    85.95747   -94.09017
    5     1 S   CT   _CA1     5     1.50134   160.95912   102.64569
    6     5 S   HC   _HA1     6     1.09566   105.13563   100.55708
    7     5 S   CO3  _C1_     7     1.53795   112.67563   -19.59719
    8     7 S   O2Z  _O11     8     1.26378   114.97483   -35.68708
    9     7 S   O2Z  _O12     9     1.26241   115.03022   143.55639
   10     5 S   CT   _CB1    10     1.53099   107.43426  -141.28920
   11    10 S   HC   HB11    11     1.09831   109.43998   -47.48727
   12    10 S   HC   HB12    12     1.09816   110.40440    69.21025
   13    10 S   CT   _CG1    13     1.52975   112.60195  -168.39016
   14    13 S   HC   HG11    14     1.09378   110.60169   -67.30828
   15    13 S   HC   HG12    15     1.09666   109.71950    51.86139
   16    13 S   C    _CD1    16     1.51744   112.21570   172.50407
   17    16 S   O    _OE1    17     1.22729   123.17288    12.32026
   18    16 S   N    _N2_    18     1.38687   111.77338  -167.74634
   19    18 S   H    _HN2    19     1.01579   118.94449     0.74834
   20    18 S   CT1  _CA2    20     1.46113   123.25384   174.33732
   21    20 S   HC   _HA2    21     1.09741   109.32148     2.56903
   22    20 S   C    _C2_    22     1.53653   108.24639  -112.52233
   23    22 S   O    _O2_    23     1.23043   122.35514  -147.48149
   24    20 S   CT   _CB2    32     1.53250   112.16769   124.85017
   25    24 S   HC   HB21    33     1.09412   110.94149    57.91217
   26    24 S   HC   HB22    34     1.09565   109.75800   175.49994
   27    22 S   N    _N3_    24     1.38343   113.65134    39.87553
   28    27 S   H    _HN3    25     1.01568   119.58297    -3.00993
   29    24 S   S    _SG2    35     1.82845   112.16225   -66.76237
   30    27 S   CT   _CA3    26     1.45280   123.32177   177.34192
   31    30 S   HC   HA31    27     1.09545   107.49722   -65.37754
   32    30 S   HC   HA32    28     1.09553   108.03138    51.10710
   33    29 S   CT   _C12    36     1.85900   100.79638   103.82308
   34    33 S   HC   _H3_    37     1.08796   102.42548   -45.69065
   35    30 S   CO3  _C3_    29     1.52983   113.97779   173.10585
   36    35 S   O2Z  _O31    30     1.26393   116.04464    -0.79549
   37    35 S   O2Z  _O32    31     1.26418   114.43347   179.26618
   38    33 S   CT   _C8_    38     1.54161   114.21739    68.38544
   39    38 S   HC   _H28    39     1.09864   107.93187   -80.85059
   40    33 S   CT   _C11    55     1.55229   109.67144  -157.90938
   41    40 S   HC   _H31    56     1.09144   104.95453    58.15766
   42    38 S   CT   _C10    40     1.53719   114.32280   159.52547
   43    42 S   HC   _H30    41     1.09780   107.69671   178.88408
   44    40 S   OH   _O19    57     1.43280   109.93215   -55.43654
   45    44 S   HO   _H43    58     0.97178   108.10985  -174.58955
   46    38 S   CO4  _C4_    75     1.52186   112.92497    35.91357
   47    46 S   O    _O16    76     1.22789   123.01643  -128.04958
   48    46 S   HC   _H21    77     1.10403   116.34445    54.05130
   49    42 S   CT   _C7_    42     1.53923   114.69232    59.92859
   50    49 S   HC   _H26    43     1.09702   109.30300    49.32192
   51    49 S   HC   _H27    44     1.09796   107.26840   163.18314
   52    42 S   OS   _O17    60     1.42735   106.38033   -68.26640
   53    49 S   CT   _C13    45     1.54694   113.80537   -75.96680
   54    53 S   CT   _C6_    46     1.55387   110.62524  -121.07597
   55    54 S   HC   _H24    47     1.09742   111.81356    40.65310
   56    54 S   HC   _H25    48     1.09546   113.07762   -80.00342
   57    53 S   CT   _C15    71     1.53784   110.17720   121.00010
   58    57 S   HC   _H33    72     1.08795   113.75444   -56.59258
   59    57 S   HC   _H34    73     1.08964   112.72470  -179.60042
   60    57 S   HC   _H35    74     1.09753   110.08645    61.81554
   61    54 S   CT   _C5_    49     1.52572   104.29041   158.54686
   62    61 S   HC   _H22    50     1.09327   109.49354    87.26830
   63    61 S   HC   _H23    51     1.09550   110.95482  -155.06176
   64    61 S   CT   _C9_    52     1.54642   105.94323   -34.02213
   65    64 S   HC   _H29    53     1.10195   105.46635  -100.34080
   66    53 S   CT   _C14    54     1.55179   109.40286   -10.60792
   67    64 S   CT   _C18    61     1.55476   114.07974   145.97950
   68    67 S   HC   _H42    62     1.09676   107.82930   179.93744
   69    66 S   OS   _O18    59     1.46672   102.19557   -46.40483
   70    67 S   CT   _C16    63     1.52960   116.53719   -59.16011
   71    70 S   HC   _H36    64     1.09342   112.04243    65.24919
   72    70 S   HC   _H37    65     1.09051   112.40235   -57.09952
   73    70 S   HC   _H38    66     1.09627   110.14892  -175.86232
   74    67 S   CT   _C17    67     1.53800   110.17480    64.74472
   75    74 S   HC   _H39    68     1.09494   111.66176   -65.76410
   76    74 S   HC   _H40    69     1.09556   110.67205   174.15186
   77    74 S   HC   _H41    70     1.09514   110.95578    54.98056
  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
  18   8   2   1   1  16   8  16   6  13   7   5   1   4   1   1
  15   6   5   4  15  14   7   6   7   3   2   1  10   5   4  13
   6   5  10   8   1   7   3   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    42    66    40    41    44    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    42    43    49    53    64    66    40    41    44    45    69    52    46    47    48  
   38    39    42    66    40    41    44    46  
   36    37  
   37  
    0  
   39    42    43    49    50    51    53    66    40    41    44    69    52    46    47    48  
   42    43    49    40    52    46    47    48  
   41    44    45    69    52    67    57    46    42    49    53    54    61    64    65    66  
   44    45    69    53    64    66  
   43    49    50    51    53    54    66    69    52    57    46    47    48  
   49    50    51    53    69    52    46  
   45    69    53    64    66  
   66  
   47    48    49    52  
   48  
    0  
   50    51    53    54    55    56    61    64    66    69    52    57    58    59    60  
   51    53    54    66    52    57  
   53    54    66    52    57  
   53    64    66    69  
   54    55    56    61    62    63    64    65    66    69    67    57    58    59    60  
   55    56    61    62    63    64    65    66    69    67    57    58    59    60  
   56    61    62    63    64    66    57  
   61    62    63    64    66    57  
   58    59    60    61    64    66    69  
   59    60    66  
   60    66  
   66  
   62    63    64    65    66    69    67    68    70    74  
   63    64    65    66    67  
   64    65    66    67  
   65    66    69    67    68    70    71    72    73    74    75    76    77  
   66    69    67    68    70    74  
   69    67    68    70    74  
   68    70    71    72    73    74    75    76    77    69  
   70    71    72    73    74    75    76    77  
    0  
   71    72    73    74    75    76    77  
   72    73    74  
   73    74  
   74  
   75    76    77  
   76    77  
   77  
    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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   44   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   45   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   48   2.4200   0.0150   0.000000   1.3810   1.2100   0.008598240   0.268726247
   49   3.5000   0.0660  -0.120000   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   2.9000   0.1400  -0.200000   1.5900   1.4000   0.020110767  -0.896042159
   53   3.5000   0.0660   0.000000   1.9750   1.7500   0.005000000  -0.741685710
   54   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5000   0.0660   0.200000   1.9750   1.7500   0.005000000  -0.741685710
   67   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.9000   0.1400  -0.200000   1.5900   1.4000   0.020110767  -0.896042159
   70   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   77   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    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    40   268.000  1.529
   38    39   340.000  1.090
   38    42   268.000  1.529
   38    46   317.000  1.522
   42    43   340.000  1.090
   42    49   268.000  1.529
   42    52   320.000  1.410
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    53   268.000  1.529
   53    54   268.000  1.529
   53    66   268.000  1.529
   53    57   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    61   268.000  1.529
   61    62   340.000  1.090
   61    63   340.000  1.090
   61    64   268.000  1.529
   64    65   340.000  1.090
   64    66   268.000  1.529
   64    67   268.000  1.529
   66    40   268.000  1.529
   66    69   320.000  1.410
   40    41   340.000  1.090
   40    44   320.000  1.410
   44    45   553.000  0.945
   69    52   245.000  1.492
   67    68   340.000  1.090
   67    70   268.000  1.529
   67    74   268.000  1.529
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    60   340.000  1.090
   46    47   570.000  1.229
   46    48   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    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    42    58.35000  112.70000
   33    38    46    63.00000  111.10000
   33    40    66    58.35000  112.70000
   33    40    41    37.50000  110.70000
   33    40    44    50.00000  109.50000
   38    33    34    37.50000  110.70000
   38    42    43    37.50000  110.70000
   38    42    49    58.35000  112.70000
   38    42    52    50.00000  109.50000
   38    46    47    80.00000  120.40000
   38    46    48    35.00000  115.00000
   42    38    39    37.50000  110.70000
   42    49    50    37.50000  110.70000
   42    49    51    37.50000  110.70000
   42    49    53    58.35000  112.70000
   42    52    69   125.00000  107.00000
   49    42    43    37.50000  110.70000
   49    53    54    58.35000  112.70000
   49    53    66    58.35000  112.70000
   49    53    57    58.35000  112.70000
   51    49    50    33.00000  107.80000
   53    49    50    37.50000  110.70000
   53    49    51    37.50000  110.70000
   53    54    55    37.50000  110.70000
   53    54    56    37.50000  110.70000
   53    54    61    58.35000  112.70000
   53    66    64    58.35000  112.70000
   53    66    40    58.35000  112.70000
   53    66    69    50.00000  109.50000
   53    57    58    37.50000  110.70000
   53    57    59    37.50000  110.70000
   53    57    60    37.50000  110.70000
   54    61    62    37.50000  110.70000
   54    61    63    37.50000  110.70000
   54    61    64    58.35000  112.70000
   56    54    55    33.00000  107.80000
   61    54    55    37.50000  110.70000
   61    54    56    37.50000  110.70000
   61    64    65    37.50000  110.70000
   61    64    66    58.35000  112.70000
   61    64    67    58.35000  112.70000
   63    61    62    33.00000  107.80000
   64    61    62    37.50000  110.70000
   64    61    63    37.50000  110.70000
   64    66    40    58.35000  112.70000
   64    66    69    50.00000  109.50000
   64    67    68    37.50000  110.70000
   64    67    70    58.35000  112.70000
   64    67    74    58.35000  112.70000
   66    53    54    58.35000  112.70000
   66    64    65    37.50000  110.70000
   66    40    41    37.50000  110.70000
   66    40    44    50.00000  109.50000
   66    69    52   125.00000  107.00000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    44    45    55.00000  108.50000
   44    40    41    35.00000  109.50000
   69    66    40    50.00000  109.50000
   52    42    43    35.00000  109.50000
   52    42    49    50.00000  109.50000
   67    64    65    37.50000  110.70000
   67    64    66    58.35000  112.70000
   67    70    71    37.50000  110.70000
   67    70    72    37.50000  110.70000
   67    70    73    37.50000  110.70000
   67    74    75    37.50000  110.70000
   67    74    76    37.50000  110.70000
   67    74    77    37.50000  110.70000
   70    67    68    37.50000  110.70000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   74    67    68    37.50000  110.70000
   74    67    70    58.35000  112.70000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   57    53    54    58.35000  112.70000
   57    53    66    58.35000  112.70000
   59    57    58    33.00000  107.80000
   60    57    58    33.00000  107.80000
   60    57    59    33.00000  107.80000
   46    38    39    35.00000  109.50000
   46    38    42    63.00000  111.10000
   48    46    47    35.00000  123.00000
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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    42   0.44750  1.0 1.0
   29    33    38    42  -0.17800 -1.0 2.0
   29    33    38    42   0.20200  1.0 3.0
   29    33    38    46   0.56750  1.0 1.0
   29    33    38    46  -0.07550 -1.0 2.0
   29    33    38    46   0.20000  1.0 3.0
   29    33    40    66   0.44750  1.0 1.0
   29    33    40    66  -0.17800 -1.0 2.0
   29    33    40    66   0.20200  1.0 3.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    44   0.56750  1.0 1.0
   29    33    40    44  -0.07550 -1.0 2.0
   29    33    40    44   0.20000  1.0 3.0
   33    38    42    43   0.15000  1.0 3.0
   33    38    42    49   0.56750  1.0 1.0
   33    38    42    49  -0.07550 -1.0 2.0
   33    38    42    49   0.20000  1.0 3.0
   33    38    42    52   0.62750  1.0 1.0
   33    38    42    52  -0.30950 -1.0 2.0
   33    38    42    52   0.27300  1.0 3.0
   33    38    46    47   0.30150 -1.0 2.0
   33    38    46    48   0.74550  1.0 1.0
   33    38    46    48  -0.00500 -1.0 2.0
   33    40    44    45  -0.11600  1.0 1.0
   33    40    44    45  -0.09450 -1.0 2.0
   33    40    44    45   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    42   0.15000  1.0 3.0
   34    33    38    46  -0.11250  1.0 3.0
   34    33    40    66   0.15000  1.0 3.0
   34    33    40    41   0.15000  1.0 3.0
   34    33    40    44   0.23400  1.0 3.0
   38    33    40    66   0.56750  1.0 1.0
   38    33    40    66  -0.07550 -1.0 2.0
   38    33    40    66   0.20000  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    44   0.86500  1.0 1.0
   38    33    40    44  -0.17500 -1.0 2.0
   38    33    40    44   0.20800  1.0 3.0
   38    42    49    50   0.15000  1.0 3.0
   38    42    49    51   0.15000  1.0 3.0
   38    42    49    53   0.56750  1.0 1.0
   38    42    49    53  -0.07550 -1.0 2.0
   38    42    49    53   0.20000  1.0 3.0
   38    42    52    69   0.37500  1.0 3.0
   39    38    42    43   0.15000  1.0 3.0
   39    38    42    49   0.15000  1.0 3.0
   39    38    42    52   0.23400  1.0 3.0
   39    38    46    47   0.00000  1.0 1.0
   39    38    46    48   0.00000  1.0 1.0
   42    38    46    47   0.30150 -1.0 2.0
   42    38    46    48   0.74550  1.0 1.0
   42    38    46    48  -0.00500 -1.0 2.0
   42    49    53    54   0.56750  1.0 1.0
   42    49    53    54  -0.07550 -1.0 2.0
   42    49    53    54   0.20000  1.0 3.0
   42    49    53    66   0.56750  1.0 1.0
   42    49    53    66  -0.07550 -1.0 2.0
   42    49    53    66   0.20000  1.0 3.0
   42    49    53    57   0.56750  1.0 1.0
   42    49    53    57  -0.07550 -1.0 2.0
   42    49    53    57   0.20000  1.0 3.0
   43    42    49    50   0.15000  1.0 3.0
   43    42    49    51   0.15000  1.0 3.0
   43    42    49    53   0.15000  1.0 3.0
   43    42    52    69   0.37500  1.0 3.0
   49    42    52    69   0.37500  1.0 3.0
   49    53    54    55   0.15000  1.0 3.0
   49    53    54    56   0.15000  1.0 3.0
   49    53    54    61   0.56750  1.0 1.0
   49    53    54    61  -0.07550 -1.0 2.0
   49    53    54    61   0.20000  1.0 3.0
   49    53    66    64   0.56750  1.0 1.0
   49    53    66    64  -0.07550 -1.0 2.0
   49    53    66    64   0.20000  1.0 3.0
   49    53    66    40   0.56750  1.0 1.0
   49    53    66    40  -0.07550 -1.0 2.0
   49    53    66    40   0.20000  1.0 3.0
   49    53   -66    69   0.62750  1.0 1.0
   49    53   -66    69  -0.30950 -1.0 2.0
   49    53   -66    69   0.27300  1.0 3.0
   49    53    57    58   0.15000  1.0 3.0
   49    53    57    59   0.15000  1.0 3.0
   49    53    57    60   0.15000  1.0 3.0
   50    49    53    54   0.15000  1.0 3.0
   50    49    53    66   0.15000  1.0 3.0
   50    49    53    57   0.15000  1.0 3.0
   51    49    53    54   0.15000  1.0 3.0
   51    49    53    66   0.15000  1.0 3.0
   51    49    53    57   0.15000  1.0 3.0
   53    54    61    62   0.15000  1.0 3.0
   53    54    61    63   0.15000  1.0 3.0
   53    54   -61    64   0.56750  1.0 1.0
   53    54   -61    64  -0.07550 -1.0 2.0
   53    54   -61    64   0.20000  1.0 3.0
   53    66    40    33   0.56750  1.0 1.0
   53    66    40    33  -0.07550 -1.0 2.0
   53    66    40    33   0.20000  1.0 3.0
   53    66    40    41   0.15000  1.0 3.0
   53    66    40    44   0.86500  1.0 1.0
   53    66    40    44  -0.17500 -1.0 2.0
   53    66    40    44   0.20800  1.0 3.0
   53    66    69    52   0.37500  1.0 3.0
   54    53   -66    64   0.56750  1.0 1.0
   54    53   -66    64  -0.07550 -1.0 2.0
   54    53   -66    64   0.20000  1.0 3.0
   54    53    66    40   0.56750  1.0 1.0
   54    53    66    40  -0.07550 -1.0 2.0
   54    53    66    40   0.20000  1.0 3.0
   54    53    66    69   0.62750  1.0 1.0
   54    53    66    69  -0.30950 -1.0 2.0
   54    53    66    69   0.27300  1.0 3.0
   54    53    57    58   0.15000  1.0 3.0
   54    53    57    59   0.15000  1.0 3.0
   54    53    57    60   0.15000  1.0 3.0
   54    61    64    65   0.15000  1.0 3.0
   54    61   -64    66   0.56750  1.0 1.0
   54    61   -64    66  -0.07550 -1.0 2.0
   54    61   -64    66   0.20000  1.0 3.0
   54    61    64    67   0.56750  1.0 1.0
   54    61    64    67  -0.07550 -1.0 2.0
   54    61    64    67   0.20000  1.0 3.0
   55    54    61    62   0.15000  1.0 3.0
   55    54    61    63   0.15000  1.0 3.0
   55    54    61    64   0.15000  1.0 3.0
   56    54    61    62   0.15000  1.0 3.0
   56    54    61    63   0.15000  1.0 3.0
   56    54    61    64   0.15000  1.0 3.0
   61    64   -66    53   0.56750  1.0 1.0
   61    64   -66    53  -0.07550 -1.0 2.0
   61    64   -66    53   0.20000  1.0 3.0
   61    64    66    40   0.56750  1.0 1.0
   61    64    66    40  -0.07550 -1.0 2.0
   61    64    66    40   0.20000  1.0 3.0
   61    64    66    69   0.62750  1.0 1.0
   61    64    66    69  -0.30950 -1.0 2.0
   61    64    66    69   0.27300  1.0 3.0
   61    64    67    68   0.15000  1.0 3.0
   61    64    67    70   0.56750  1.0 1.0
   61    64    67    70  -0.07550 -1.0 2.0
   61    64    67    70   0.20000  1.0 3.0
   61    64    67    74   0.56750  1.0 1.0
   61    64    67    74  -0.07550 -1.0 2.0
   61    64    67    74   0.20000  1.0 3.0
   62    61    64    65   0.15000  1.0 3.0
   62    61    64    66   0.15000  1.0 3.0
   62    61    64    67   0.15000  1.0 3.0
   63    61    64    65   0.15000  1.0 3.0
   63    61    64    66   0.15000  1.0 3.0
   63    61    64    67   0.15000  1.0 3.0
   64    66    40    33   0.56750  1.0 1.0
   64    66    40    33  -0.07550 -1.0 2.0
   64    66    40    33   0.20000  1.0 3.0
   64    66    40    41   0.15000  1.0 3.0
   64    66    40    44   0.86500  1.0 1.0
   64    66    40    44  -0.17500 -1.0 2.0
   64    66    40    44   0.20800  1.0 3.0
   64    66    69    52   0.37500  1.0 3.0
   64    67    70    71   0.15000  1.0 3.0
   64    67    70    72   0.15000  1.0 3.0
   64    67    70    73   0.15000  1.0 3.0
   64    67    74    75   0.15000  1.0 3.0
   64    67    74    76   0.15000  1.0 3.0
   64    67    74    77   0.15000  1.0 3.0
   65    64    66    53   0.15000  1.0 3.0
   65    64    66    40   0.15000  1.0 3.0
   65    64    66    69   0.23400  1.0 3.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    70   0.15000  1.0 3.0
   65    64    67    74   0.15000  1.0 3.0
   66    53    54    55   0.15000  1.0 3.0
   66    53    54    56   0.15000  1.0 3.0
   66    53   -54    61   0.56750  1.0 1.0
   66    53   -54    61  -0.07550 -1.0 2.0
   66    53   -54    61   0.20000  1.0 3.0
   66    53    57    58   0.15000  1.0 3.0
   66    53    57    59   0.15000  1.0 3.0
   66    53    57    60   0.15000  1.0 3.0
   66    64    67    68   0.15000  1.0 3.0
   66    64    67    70   0.56750  1.0 1.0
   66    64    67    70  -0.07550 -1.0 2.0
   66    64    67    70   0.20000  1.0 3.0
   66    64    67    74   0.56750  1.0 1.0
   66    64    67    74  -0.07550 -1.0 2.0
   66    64    67    74   0.20000  1.0 3.0
   66    40    44    45  -0.11600  1.0 1.0
   66    40    44    45  -0.09450 -1.0 2.0
   66    40    44    45   0.21250  1.0 3.0
   66    69   -52    42  -2.50000 -1.0 2.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    42   0.56750  1.0 1.0
   40    33    38    42  -0.07550 -1.0 2.0
   40    33    38    42   0.20000  1.0 3.0
   40    33    38    46  -0.95700  1.0 1.0
   40    33    38    46  -0.18200 -1.0 2.0
   40    33    38    46   0.29450  1.0 3.0
   40    66    69    52   0.37500  1.0 3.0
   41    40    44    45   0.19450  1.0 3.0
   69    66    40    33   0.62750  1.0 1.0
   69    66    40    33  -0.30950 -1.0 2.0
   69    66    40    33   0.27300  1.0 3.0
   69    66    40    41   0.23400  1.0 3.0
   69    66    40    44   3.69350  1.0 1.0
   69    66    40    44  -1.82950 -1.0 2.0
   52    42    49    50   0.23400  1.0 3.0
   52    42    49    51   0.23400  1.0 3.0
   52    42   -49    53   0.62750  1.0 1.0
   52    42   -49    53  -0.30950 -1.0 2.0
   52    42   -49    53   0.27300  1.0 3.0
   67    64    66    53   0.56750  1.0 1.0
   67    64    66    53  -0.07550 -1.0 2.0
   67    64    66    53   0.20000  1.0 3.0
   67    64    66    40   0.56750  1.0 1.0
   67    64    66    40  -0.07550 -1.0 2.0
   67    64    66    40   0.20000  1.0 3.0
   67    64    66    69   0.62750  1.0 1.0
   67    64    66    69  -0.30950 -1.0 2.0
   67    64    66    69   0.27300  1.0 3.0
   68    67    70    71   0.15000  1.0 3.0
   68    67    70    72   0.15000  1.0 3.0
   68    67    70    73   0.15000  1.0 3.0
   68    67    74    75   0.15000  1.0 3.0
   68    67    74    76   0.15000  1.0 3.0
   68    67    74    77   0.15000  1.0 3.0
   70    67    74    75   0.15000  1.0 3.0
   70    67    74    76   0.15000  1.0 3.0
   70    67    74    77   0.15000  1.0 3.0
   74    67    70    71   0.15000  1.0 3.0
   74    67    70    72   0.15000  1.0 3.0
   74    67    70    73   0.15000  1.0 3.0
   57    53    54    55   0.15000  1.0 3.0
   57    53    54    56   0.15000  1.0 3.0
   57    53    54    61   0.56750  1.0 1.0
   57    53    54    61  -0.07550 -1.0 2.0
   57    53    54    61   0.20000  1.0 3.0
   57    53    66    64   0.56750  1.0 1.0
   57    53    66    64  -0.07550 -1.0 2.0
   57    53    66    64   0.20000  1.0 3.0
   57    53    66    40   0.56750  1.0 1.0
   57    53    66    40  -0.07550 -1.0 2.0
   57    53    66    40   0.20000  1.0 3.0
   57    53    66    69   0.62750  1.0 1.0
   57    53    66    69  -0.30950 -1.0 2.0
   57    53    66    69   0.27300  1.0 3.0
   46    38    42    43  -0.11250  1.0 3.0
   46    38    42    49  -0.95700  1.0 1.0
   46    38    42    49  -0.18200 -1.0 2.0
   46    38    42    49   0.29450  1.0 3.0
   46    38    42    52  -0.09450  1.0 1.0
   46    38    42    52  -1.12950 -1.0 2.0
   46    38    42    52   0.54000  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    48    46    47  10.50000 -1.0 2.0
END
