* LIGAND DATABASE FILE (OPLS2005)
*
001      77    81    161    275     482
    1     0 S   NP   _N1_     1    28.88549    95.47705   -26.00972
    2     1 S   H    _HN1     2     1.02796   123.15193   -96.28789
    3     1 S   H    _H1_     3     1.02946    75.24994     6.27195
    4     1 S   H    _H2_     4     1.02826    32.13814  -165.78805
    5     1 S   CT   _CA1     5     1.50128   119.31282   111.69666
    6     5 S   HC   _HA1     6     1.09574   105.14630    93.62592
    7     5 S   CO3  _C1_     7     1.53761   112.47517   -26.56423
    8     7 S   O2Z  _O11     8     1.26378   115.00393   -42.32213
    9     7 S   O2Z  _O12     9     1.26235   114.93916   136.64805
   10     5 S   CT   _CB1    10     1.53052   107.39834  -148.41462
   11    10 S   HC   HB11    11     1.09844   109.30612   -49.25075
   12    10 S   HC   HB12    12     1.09809   110.48782    67.33484
   13    10 S   CT   _CG1    13     1.53033   112.65861  -170.17321
   14    13 S   HC   HG11    14     1.09563   110.76957   -68.15856
   15    13 S   HC   HG12    15     1.09668   109.66563    51.09544
   16    13 S   C    _CD1    16     1.51819   111.87802   171.59477
   17    16 S   O    _OE1    17     1.22766   123.13377    14.65975
   18    16 S   N    _N2_    18     1.38655   111.91602  -165.35171
   19    18 S   H    _HN2    19     1.01575   118.97606     0.86389
   20    18 S   CT1  _CA2    20     1.46189   123.31427   175.83675
   21    20 S   HC   _HA2    21     1.09738   109.27562     8.08036
   22    20 S   C    _C2_    22     1.53701   108.87365  -107.42334
   23    22 S   O    _O2_    23     1.23090   122.17989  -148.79935
   24    20 S   CT   _CB2    32     1.53325   111.75163   130.09045
   25    24 S   HC   HB21    33     1.09594   110.17289    56.54168
   26    24 S   HC   HB22    34     1.09438   109.99525   175.49063
   27    22 S   N    _N3_    24     1.38290   113.89899    38.66473
   28    27 S   H    _HN3    25     1.01539   119.62413    -3.12036
   29    24 S   S    _SG2    35     1.82707   111.71135   -64.21750
   30    27 S   CT   _CA3    26     1.45286   123.33735   177.27782
   31    30 S   HC   HA31    27     1.09546   107.50007   -65.23383
   32    30 S   HC   HA32    28     1.09554   108.02116    51.24210
   33    29 S   CT   _C17    36     1.85804    99.37795  -178.45706
   34    33 S   HC   _H8_    37     1.09637   106.89595   -31.71554
   35    30 S   CO3  _C3_    29     1.52992   114.00172   173.24590
   36    35 S   O2Z  _O31    30     1.26391   116.06690    -0.60716
   37    35 S   O2Z  _O32    31     1.26422   114.42428   179.45607
   38    33 S   CT   _C16    38     1.53460   106.91436    85.49010
   39    38 S   HC   _H23    39     1.09542   110.93642   -57.88366
   40    38 S   HC   _H24    40     1.09366   113.45908    64.19879
   41    33 S   CT   _C18    75     1.55856   110.61909  -152.57931
   42    41 S   OM   _O33    76     1.32426   109.13918    73.10704
   43    41 S   HC   _H9_    77     1.09758   103.59048   -53.91334
   44    38 S   NP   _N4_    41     1.49604   108.59707  -173.73769
   45    44 S   H    _H7_    42     1.02716   104.55437    51.73485
   46    44 S   CT   _C15    43     1.51084   117.57026   166.22044
   47    46 S   HC   _H21    44     1.09536   107.20218   -43.24891
   48    46 S   HC   _H22    45     1.09564   106.52386  -157.71287
   49    46 S   CT   _C14    46     1.52223   114.55891    80.48520
   50    49 S   HC   _H19    47     1.09726   109.40821   -71.78582
   51    49 S   HC   _H20    48     1.09606   109.29618   172.03738
   52    49 S   CT   _C13    49     1.52770   112.44211    50.35568
   53    52 S   HC   _H17    50     1.09581   110.49491    64.57730
   54    52 S   HC   _H18    51     1.09575   109.32626  -177.26605
   55    52 S   CT   _C12    52     1.51927   107.24815   -57.16153
   56    55 S   HC   _H6_    53     1.09847   106.20100   -53.18863
   57    55 S   CT   _C11    54     1.53669   115.01104  -166.90071
   58    57 S   HC   _H5_    55     1.09514   111.06500    50.84363
   59    57 S   CT   _C10    56     1.51499   109.21474   173.34233
   60    59 S   HC   _H15    57     1.09112   113.46097   -48.23638
   61    59 S   HC   _H16    58     1.09830   110.19516  -169.13662
   62    59 S   CT   _C9_    59     1.51887    98.79306    75.60208
   63    62 S   HC   _H4_    60     1.09425   111.36715   160.74044
   64    62 S   CO4  _C19    61     1.51656    96.80891    46.48934
   65    64 S   O    _O35    62     1.21996   126.68468   147.80980
   66    62 S   C4T  _C8_    64     1.59240   110.88389   -73.76610
   67    57 S   OS   _O34    63     1.42751   113.19884   -72.37882
   68    66 S   C4T  _C5_    65     1.59897   109.69719   150.11577
   69    68 S   HC   _H3_    66     1.09907   112.12119    19.45291
   70    44 S   C4T  _C7_    70     1.52050   110.57721   -65.36477
   71    68 S   C4T  _C6_    67     1.55210    88.65538   -93.76424
   72    71 S   HC   _H13    68     1.09296   115.14299   100.78128
   73    71 S   HC   _H14    69     1.09636   114.20093  -137.58694
   74    68 S   CT   _C4_    71     1.52511   124.89303   146.67739
   75    74 S   HC   _H10    72     1.09008   113.43678    53.09459
   76    74 S   HC   _H11    73     1.09386   110.98649   -69.04609
   77    74 S   HC   _H12    74     1.09592   109.89357   172.84234
  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
  14   8   2   1   1  15   6   5  14   5   4  18   8  12   6   5
   9   5   4  11   5   4  15   7  12   7  10   6   5  10   6   5
   2  11   1   9   8   4   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    44    66    41    42    43  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    45    46    62    66    68    70    41    42    43  
   38    39    40    44    66    41    42    43  
   36    37  
   37  
    0  
   39    40    44    45    46    47    48    49    55    66    71    70    41    42    43  
   40    44    45    46    70    41  
   44    45    46    70    41  
   42    43    44    55    59    62    63    64    66    68    69    70    71    74  
   43    62    66    68    70  
   62    66    68    70  
   45    46    47    48    49    50    51    52    55    56    57    62    66    68    71    72    73    70  
   46    47    48    49    55    66    71    70  
   47    48    49    50    51    52    53    54    55    66    71    70  
   48    49    50    51    52    70  
   49    50    51    52    70  
   50    51    52    53    54    55    56    57    70  
   51    52    53    54    55  
   52    53    54    55  
   53    54    55    56    57    58    59    67    66    71    70  
   54    55    56    57    70  
   55    56    57    70  
   56    57    58    59    60    61    62    64    67    66    68    71    72    73    70  
   57    58    59    67    66    71    70  
   58    59    60    61    62    63    64    65    67    66    71    70  
   59    60    61    62    64    67    70  
   60    61    62    63    64    65    67    66    68    70  
   61    62    63    64    67    66  
   62    63    64    67    66  
   63    64    65    67    66    68    69    71    70    74  
   64    65    67    66    68    70  
   65    67    66    68    70  
   67    66  
   68    69    71    72    73    70    74    75    76    77    67  
   70  
   69    71    72    73    70    74    75    76    77  
   71    72    73    70    74    75    76    77  
   74    71    72    73  
   72    73    74    75    76    77  
   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   1.6450   1.4500   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   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   41   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   42   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   43   2.5000   0.0500   0.060000   1.6450   1.4500   0.008598240   0.268726247
   44   3.2500   0.1700   0.047500   2.1950   1.9500   0.003973653   1.685851020
   45   0.5000   0.0300   0.290000   0.9960   0.8600   0.030040813  -0.651083722
   46   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.6450   1.4500   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   1.6450   1.4500   0.008598240   0.268726247
   51   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   52   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   3.5000   0.0660  -0.001200   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.4200   0.0150   0.030000   1.6450   1.4500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.001200   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   64   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.5000   0.0660  -0.058800   1.9750   1.7500   0.005000000  -0.741685710
   67   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   68   3.5000   0.0660  -0.118800   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   70   3.5000   0.0660   0.063700   1.9750   1.7500   0.005000000  -0.741685710
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   74   3.5000   0.0660  -0.121200   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    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    44   367.000  1.471
   44    45   434.000  1.010
   44    46   367.000  1.471
   44    70   367.000  1.471
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   268.000  1.529
   49    50   340.000  1.090
   49    51   340.000  1.090
   49    52   268.000  1.529
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   268.000  1.529
   55    56   340.000  1.090
   55    57   268.000  1.529
   55    70   260.000  1.519
   57    58   340.000  1.090
   57    59   268.000  1.529
   57    67   320.000  1.410
   59    60   340.000  1.090
   59    61   340.000  1.090
   59    62   268.000  1.529
   62    63   340.000  1.090
   62    64   317.000  1.522
   62    66   260.000  1.519
   64    65   570.000  1.229
   64    67   214.000  1.327
   66    68   268.000  1.529
   66    70   268.000  1.529
   66    41   260.000  1.519
   68    69   340.000  1.090
   68    71   268.000  1.529
   68    74   260.000  1.519
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    70   268.000  1.529
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   41    42   570.000  1.307
   41    43   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    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    44    80.00000  111.20000
   33    41    66    70.00000  112.98000
   33    41    42    50.00000  109.50000
   33    41    43    37.50000  110.70000
   38    33    34    37.50000  110.70000
   38    44    45    35.00000  109.50000
   38    44    46    75.00000  113.01200
   38    44    70    75.00000  113.01200
   40    38    39    33.00000  107.80000
   44    38    39    35.00000  109.50000
   44    38    40    35.00000  109.50000
   44    46    47    35.00000  109.50000
   44    46    48    35.00000  109.50000
   44    46    49    80.00000  111.20000
   44    70    55    80.00000  111.20000
   44    70    66    80.00000  111.20000
   44    70    71    80.00000  111.20000
   46    44    45    35.00000  109.50000
   46    49    50    37.50000  110.70000
   46    49    51    37.50000  110.70000
   46    49    52    58.35000  112.70000
   48    46    47    33.00000  107.80000
   49    46    47    37.50000  110.70000
   49    46    48    37.50000  110.70000
   49    52    53    37.50000  110.70000
   49    52    54    37.50000  110.70000
   49    52    55    58.35000  112.70000
   51    49    50    33.00000  107.80000
   52    49    50    37.50000  110.70000
   52    49    51    37.50000  110.70000
   52    55    56    37.50000  110.70000
   52    55    57    58.35000  112.70000
   52    55    70    70.00000  112.98000
   54    52    53    33.00000  107.80000
   55    52    53    37.50000  110.70000
   55    52    54    37.50000  110.70000
   55    57    58    37.50000  110.70000
   55    57    59    58.35000  112.70000
   55    57    67    50.00000  109.50000
   55    70    66    65.00000  119.52000
   55    70    71    65.00000  119.52000
   57    55    56    37.50000  110.70000
   57    59    60    37.50000  110.70000
   57    59    61    37.50000  110.70000
   57    59    62    58.35000  112.70000
   57    67    64    83.00000  116.90000
   59    57    58    37.50000  110.70000
   59    62    63    37.50000  110.70000
   59    62    64    63.00000  111.10000
   59    62    66    70.00000  112.98000
   61    59    60    33.00000  107.80000
   62    59    60    37.50000  110.70000
   62    59    61    37.50000  110.70000
   62    64    65    80.00000  120.40000
   62    64    67    81.00000  111.40000
   62    66    68    65.00000  119.52000
   62    66    70    65.00000  119.52000
   62    66    41    58.35000  112.70000
   64    62    63    35.00000  109.50000
   67    57    58    35.00000  109.50000
   67    57    59    50.00000  109.50000
   67    64    65    83.00000  123.40000
   66    62    63    45.00000  111.22300
   66    62    64    63.00000  111.10000
   66    68    69    37.50000  110.70000
   66    68    71    63.00000   92.00000
   66    68    74    65.00000  119.52000
   66    70    71    63.00000   92.00000
   66    41    42    50.00000  109.50000
   66    41    43    45.00000  111.22300
   68    71    72    37.50000  110.70000
   68    71    73    37.50000  110.70000
   68    71    70    63.00000   92.00000
   68    74    75    45.00000  111.22300
   68    74    76    45.00000  111.22300
   68    74    77    45.00000  111.22300
   71    68    69    37.50000  110.70000
   73    71    72    33.00000  107.80000
   70    44    45    35.00000  109.50000
   70    44    46    75.00000  113.01200
   70    55    56    45.00000  111.22300
   70    55    57    70.00000  112.98000
   70    66    68    63.00000   92.00000
   70    71    72    37.50000  110.70000
   70    71    73    37.50000  110.70000
   74    68    69    45.00000  112.72800
   74    68    71    65.00000  119.52000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    66    68    65.00000  119.52000
   41    66    70    65.00000  119.52000
   43    41    42    45.00000  125.66300
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    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   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    44   0.56750  1.0 1.0
   29    33    38    44  -0.07550 -1.0 2.0
   29    33    38    44   0.20000  1.0 3.0
   29    33    41    66   0.44750  1.0 1.0
   29    33    41    66  -0.17800 -1.0 2.0
   29    33    41    66   0.20200  1.0 3.0
   29    33    41    42   0.56750  1.0 1.0
   29    33    41    42  -0.07550 -1.0 2.0
   29    33    41    42   0.20000  1.0 3.0
   29    33    41    43   0.15000  1.0 3.0
   33    38    44    45   0.17350  1.0 3.0
   33    38    44    46   0.47100  1.0 1.0
   33    38    44    70   0.47100  1.0 1.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    44   0.19200  1.0 3.0
   34    33    41    66   0.15000  1.0 3.0
   34    33    41    42   0.23400  1.0 3.0
   34    33    41    43   0.15000  1.0 3.0
   38    33    41    66   0.31550 -1.0 2.0
   38    33    41    66   0.11250  1.0 3.0
   38    33    41    42   0.62750  1.0 1.0
   38    33    41    42  -0.30950 -1.0 2.0
   38    33    41    42   0.27300  1.0 3.0
   38    33    41    43   0.15000  1.0 3.0
   38    44    46    47   0.15000  1.0 3.0
   38    44    46    48   0.15000  1.0 3.0
   38    44    46    49   0.47100  1.0 1.0
   38    44    70    55   0.47100  1.0 1.0
   38    44   -70    66   0.47100  1.0 1.0
   38    44    70    71   0.47100  1.0 1.0
   39    38    44    45   0.13050  1.0 3.0
   39    38    44    46   0.15000  1.0 3.0
   39    38    44    70   0.15000  1.0 3.0
   40    38    44    45   0.13050  1.0 3.0
   40    38    44    46   0.15000  1.0 3.0
   40    38    44    70   0.15000  1.0 3.0
   44    46    49    50   0.19200  1.0 3.0
   44    46    49    51   0.19200  1.0 3.0
   44    46    49    52   1.36600  1.0 1.0
   44    46    49    52  -0.11450 -1.0 2.0
   44    46    49    52   0.24250  1.0 3.0
   45    44    46    47   0.13050  1.0 3.0
   45    44    46    48   0.13050  1.0 3.0
   45    44    46    49   0.17350  1.0 3.0
   45    44    70    55   0.17350  1.0 3.0
   45    44    70    66   0.17350  1.0 3.0
   45    44    70    71   0.17350  1.0 3.0
   46    44    70    55   0.47100  1.0 1.0
   46    44    70    66   0.47100  1.0 1.0
   46    44    70    71   0.47100  1.0 1.0
   46    49    52    53   0.15000  1.0 3.0
   46    49    52    54   0.15000  1.0 3.0
   46    49   -52    55   0.56750  1.0 1.0
   46    49   -52    55  -0.07550 -1.0 2.0
   46    49   -52    55   0.20000  1.0 3.0
   47    46    49    50   0.15000  1.0 3.0
   47    46    49    51   0.15000  1.0 3.0
   47    46    49    52   0.15000  1.0 3.0
   48    46    49    50   0.15000  1.0 3.0
   48    46    49    51   0.15000  1.0 3.0
   48    46    49    52   0.15000  1.0 3.0
   49    52    55    56   0.15000  1.0 3.0
   49    52    55    57   0.56750  1.0 1.0
   49    52    55    57  -0.07550 -1.0 2.0
   49    52    55    57   0.20000  1.0 3.0
   49    52    55    70   0.31550 -1.0 2.0
   49    52    55    70   0.11250  1.0 3.0
   50    49    52    53   0.15000  1.0 3.0
   50    49    52    54   0.15000  1.0 3.0
   50    49    52    55   0.15000  1.0 3.0
   51    49    52    53   0.15000  1.0 3.0
   51    49    52    54   0.15000  1.0 3.0
   51    49    52    55   0.15000  1.0 3.0
   52    55    57    58   0.15000  1.0 3.0
   52    55    57    59   0.56750  1.0 1.0
   52    55    57    59  -0.07550 -1.0 2.0
   52    55    57    59   0.20000  1.0 3.0
   52    55    57    67   0.62750  1.0 1.0
   52    55    57    67  -0.30950 -1.0 2.0
   52    55    57    67   0.27300  1.0 3.0
   52    55   -70    44   1.36600  1.0 1.0
   52    55   -70    44  -0.11450 -1.0 2.0
   52    55   -70    44   0.24250  1.0 3.0
   52    55    70    66   0.04050  1.0 1.0
   52    55    70    66   0.63700 -1.0 2.0
   52    55    70    66   0.17650  1.0 3.0
   52    55    70    71   0.04050  1.0 1.0
   52    55    70    71   0.63700 -1.0 2.0
   52    55    70    71   0.17650  1.0 3.0
   53    52    55    56   0.15000  1.0 3.0
   53    52    55    57   0.15000  1.0 3.0
   53    52    55    70   0.15000  1.0 3.0
   54    52    55    56   0.15000  1.0 3.0
   54    52    55    57   0.15000  1.0 3.0
   54    52    55    70   0.15000  1.0 3.0
   55    57    59    60   0.15000  1.0 3.0
   55    57    59    61   0.15000  1.0 3.0
   55    57    59    62   0.56750  1.0 1.0
   55    57    59    62  -0.07550 -1.0 2.0
   55    57    59    62   0.20000  1.0 3.0
   55    57    67    64  -0.25900  1.0 1.0
   55    57    67    64  -0.47000 -1.0 2.0
   55    57    67    64   0.11750  1.0 3.0
   56    55    57    58   0.15000  1.0 3.0
   56    55    57    59   0.15000  1.0 3.0
   56    55    57    67   0.23400  1.0 3.0
   56    55    70    44   0.19200  1.0 3.0
   56    55    70    66   0.00000  1.0 1.0
   56    55    70    71   0.00000  1.0 1.0
   57    55    70    44   1.36600  1.0 1.0
   57    55    70    44  -0.11450 -1.0 2.0
   57    55    70    44   0.24250  1.0 3.0
   57    55    70    66   0.04050  1.0 1.0
   57    55    70    66   0.63700 -1.0 2.0
   57    55    70    66   0.17650  1.0 3.0
   57    55    70    71   0.04050  1.0 1.0
   57    55    70    71   0.63700 -1.0 2.0
   57    55    70    71   0.17650  1.0 3.0
   57    59    62    63   0.15000  1.0 3.0
   57    59   -62    64  -0.95700  1.0 1.0
   57    59   -62    64  -0.18200 -1.0 2.0
   57    59   -62    64   0.29450  1.0 3.0
   57    59   -62    66   0.31550 -1.0 2.0
   57    59   -62    66   0.11250  1.0 3.0
   58    57    59    60   0.15000  1.0 3.0
   58    57    59    61   0.15000  1.0 3.0
   58    57    59    62   0.15000  1.0 3.0
   58    57    67    64   0.08050  1.0 3.0
   59    57   -67    64  -0.25900  1.0 1.0
   59    57   -67    64  -0.47000 -1.0 2.0
   59    57   -67    64   0.11750  1.0 3.0
   59    62    64    65   0.30150 -1.0 2.0
   59    62   -64    67   0.36750  1.0 3.0
   59    62    66    68   0.04050  1.0 1.0
   59    62    66    68   0.63700 -1.0 2.0
   59    62    66    68   0.17650  1.0 3.0
   59    62    66    70   0.04050  1.0 1.0
   59    62    66    70   0.63700 -1.0 2.0
   59    62    66    70   0.17650  1.0 3.0
   59    62    66    41   0.56750  1.0 1.0
   59    62    66    41  -0.07550 -1.0 2.0
   59    62    66    41   0.20000  1.0 3.0
   60    59    62    63   0.15000  1.0 3.0
   60    59    62    64  -0.11250  1.0 3.0
   60    59    62    66   0.15000  1.0 3.0
   61    59    62    63   0.15000  1.0 3.0
   61    59    62    64  -0.11250  1.0 3.0
   61    59    62    66   0.15000  1.0 3.0
   62    64   -67    57   1.63150  1.0 1.0
   62    64   -67    57   2.92000 -1.0 2.0
   62    66    68    69   0.15000  1.0 3.0
   62    66    68    71  -0.70950  1.0 1.0
   62    66    68    71   0.38400 -1.0 2.0
   62    66    68    74   0.56750  1.0 1.0
   62    66    68    74  -0.07550 -1.0 2.0
   62    66    68    74   0.20000  1.0 3.0
   62    66    70    44   1.36600  1.0 1.0
   62    66    70    44  -0.11450 -1.0 2.0
   62    66    70    44   0.24250  1.0 3.0
   62    66   -70    55   0.56750  1.0 1.0
   62    66   -70    55  -0.07550 -1.0 2.0
   62    66   -70    55   0.20000  1.0 3.0
   62    66   -70    71  -0.70950  1.0 1.0
   62    66   -70    71   0.38400 -1.0 2.0
   62    66    41    33   0.56750  1.0 1.0
   62    66    41    33  -0.07550 -1.0 2.0
   62    66    41    33   0.20000  1.0 3.0
   62    66    41    42   0.62750  1.0 1.0
   62    66    41    42  -0.30950 -1.0 2.0
   62    66    41    42   0.27300  1.0 3.0
   62    66    41    43   0.15000  1.0 3.0
   63    62    64    65   0.00000  1.0 1.0
   63    62    64    67   0.00000  1.0 1.0
   63    62    66    68   0.00000  1.0 1.0
   63    62    66    70   0.00000  1.0 1.0
   63    62    66    41   0.15000  1.0 3.0
   64    62    66    68  -0.95700  1.0 1.0
   64    62    66    68  -0.18200 -1.0 2.0
   64    62    66    68   0.29450  1.0 3.0
   64    62    66    70  -0.95700  1.0 1.0
   64    62    66    70  -0.18200 -1.0 2.0
   64    62    66    70   0.29450  1.0 3.0
   64    62    66    41  -0.95700  1.0 1.0
   64    62    66    41  -0.18200 -1.0 2.0
   64    62    66    41   0.29450  1.0 3.0
   65    64    67    57   3.00000 -1.0 2.0
   67    57    59    60   0.23400  1.0 3.0
   67    57    59    61   0.23400  1.0 3.0
   67    57   -59    62   0.62750  1.0 1.0
   67    57   -59    62  -0.30950 -1.0 2.0
   67    57   -59    62   0.27300  1.0 3.0
   66    62    64    65   0.30150 -1.0 2.0
   66    62    64    67   0.36750  1.0 3.0
   66    68    71    72   0.15000  1.0 3.0
   66    68    71    73   0.15000  1.0 3.0
   66    68   -71    70   0.00000  1.0 1.0
   66    68    74    75   0.00000  1.0 1.0
   66    68    74    76   0.00000  1.0 1.0
   66    68    74    77   0.00000  1.0 1.0
   68    66    70    44   1.36600  1.0 1.0
   68    66    70    44  -0.11450 -1.0 2.0
   68    66    70    44   0.24250  1.0 3.0
   68    66    70    55  -0.70950  1.0 1.0
   68    66    70    55   0.38400 -1.0 2.0
   68    66   -70    71   0.00000  1.0 1.0
   68    66    41    33   0.04050  1.0 1.0
   68    66    41    33   0.63700 -1.0 2.0
   68    66    41    33   0.17650  1.0 3.0
   68    66    41    42   0.62750  1.0 1.0
   68    66    41    42  -0.30950 -1.0 2.0
   68    66    41    42   0.27300  1.0 3.0
   68    66    41    43   0.00000  1.0 1.0
   68    71   -70    44   1.36600  1.0 1.0
   68    71   -70    44  -0.11450 -1.0 2.0
   68    71   -70    44   0.24250  1.0 3.0
   68    71   -70    55  -0.70950  1.0 1.0
   68    71   -70    55   0.38400 -1.0 2.0
   68    71   -70    66   0.00000  1.0 1.0
   69    68    71    72   0.15000  1.0 3.0
   69    68    71    73   0.15000  1.0 3.0
   69    68    71    70   0.15000  1.0 3.0
   69    68    74    75   0.15000  1.0 3.0
   69    68    74    76   0.15000  1.0 3.0
   69    68    74    77   0.15000  1.0 3.0
   71    68    74    75   0.00000  1.0 1.0
   71    68    74    76   0.00000  1.0 1.0
   71    68    74    77   0.00000  1.0 1.0
   72    71    70    44   0.19200  1.0 3.0
   72    71    70    55   0.15000  1.0 3.0
   72    71   -70    66   0.15000  1.0 3.0
   73    71    70    44   0.19200  1.0 3.0
   73    71    70    55   0.15000  1.0 3.0
   73    71   -70    66   0.15000  1.0 3.0
   70    44    46    47   0.15000  1.0 3.0
   70    44    46    48   0.15000  1.0 3.0
   70    44   -46    49   0.47100  1.0 1.0
   70    55    57    58   0.15000  1.0 3.0
   70    55   -57    59   0.31550 -1.0 2.0
   70    55   -57    59   0.11250  1.0 3.0
   70    55    57    67   0.62750  1.0 1.0
   70    55    57    67  -0.30950 -1.0 2.0
   70    55    57    67   0.27300  1.0 3.0
   70    66   -68    69   0.15000  1.0 3.0
   70    66   -68    71   0.00000  1.0 1.0
   70    66    68    74  -0.70950  1.0 1.0
   70    66    68    74   0.38400 -1.0 2.0
   70    66   -41    33   0.04050  1.0 1.0
   70    66   -41    33   0.63700 -1.0 2.0
   70    66   -41    33   0.17650  1.0 3.0
   70    66    41    42   0.62750  1.0 1.0
   70    66    41    42  -0.30950 -1.0 2.0
   70    66    41    42   0.27300  1.0 3.0
   70    66    41    43   0.00000  1.0 1.0
   74    68    71    72   0.15000  1.0 3.0
   74    68    71    73   0.15000  1.0 3.0
   74    68   -71    70  -0.70950  1.0 1.0
   74    68   -71    70   0.38400 -1.0 2.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    44   1.36600  1.0 1.0
   41    33    38    44  -0.11450 -1.0 2.0
   41    33    38    44   0.24250  1.0 3.0
   41    66    68    69   0.15000  1.0 3.0
   41    66    68    71  -0.70950  1.0 1.0
   41    66    68    71   0.38400 -1.0 2.0
   41    66    68    74   0.56750  1.0 1.0
   41    66    68    74  -0.07550 -1.0 2.0
   41    66    68    74   0.20000  1.0 3.0
   41    66   -70    44   1.36600  1.0 1.0
   41    66   -70    44  -0.11450 -1.0 2.0
   41    66   -70    44   0.24250  1.0 3.0
   41    66    70    55   0.56750  1.0 1.0
   41    66    70    55  -0.07550 -1.0 2.0
   41    66    70    55   0.20000  1.0 3.0
   41    66   -70    71  -0.70950  1.0 1.0
   41    66   -70    71   0.38400 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   62    67    64    65  10.50000 -1.0 2.0
END
