* LIGAND DATABASE FILE (OPLS2005)
*
001      80    82    145    225     420
    1     0 S   NP   _N1_     1    28.80676    93.85011   -21.01959
    2     1 S   H    _HN1     2     1.02959    96.46370    27.26661
    3     1 S   H    _H1_     3     1.02839    27.64708   142.11782
    4     1 S   H    _H2_     4     1.02781    87.92982   -80.92827
    5     1 S   CT   _CA1     5     1.50109   137.71410   157.55976
    6     5 S   HC   _HA1     6     1.09572   105.26762    51.65732
    7     5 S   CO3  _C1_     7     1.53813   112.29181   -68.63743
    8     7 S   O2Z  _O11     8     1.26363   115.02045   -45.90331
    9     7 S   O2Z  _O12     9     1.26230   114.92504   133.29592
   10     5 S   CT   _CB1    10     1.53090   107.43393   169.60144
   11    10 S   HC   HB11    11     1.09820   109.44100   -50.25522
   12    10 S   HC   HB12    12     1.09825   110.39175    66.32865
   13    10 S   CT   _CG1    13     1.52995   112.62530  -171.36016
   14    13 S   HC   HG11    14     1.09545   110.39727   -60.56434
   15    13 S   HC   HG12    15     1.09634   110.11150    58.56474
   16    13 S   C    _CD1    16     1.51793   112.18628   178.76933
   17    16 S   O    _OE1    17     1.22730   123.18642   -10.25304
   18    16 S   N    _N2_    18     1.38552   111.66525   170.39301
   19    18 S   H    _HN2    19     1.01589   119.07177     0.60393
   20    18 S   CT1  _CA2    20     1.46268   123.49944  -178.30442
   21    20 S   HC   _HA2    21     1.09731   109.40107   -11.05861
   22    20 S   C    _C2_    22     1.53437   108.45015  -126.73919
   23    22 S   O    _O2_    23     1.23013   122.28502  -147.22464
   24    20 S   CT   _CB2    32     1.53350   111.09875   110.97822
   25    24 S   HC   HB21    33     1.09635   109.57351    55.46438
   26    24 S   HC   HB22    34     1.09529   110.74200   173.67237
   27    22 S   N    _N3_    24     1.38534   113.39691    40.31425
   28    27 S   H    _HN3    25     1.01519   118.86239    -0.82851
   29    24 S   S    _SG2    35     1.82723   111.45150   -66.86658
   30    27 S   CT   _CA3    26     1.45443   123.51307   175.09931
   31    30 S   HC   HA31    27     1.09519   109.31783    22.95789
   32    30 S   HC   HA32    28     1.09499   107.10505   139.96368
   33    29 S   CM   _C6_    36     1.75778    99.74725   151.77137
   34    30 S   CO3  _C3_    29     1.52914   113.05145  -100.58077
   35    34 S   O2Z  _O31    30     1.26409   115.37948   -45.37051
   36    34 S   O2Z  _O32    31     1.26352   115.00811   135.57827
   37    33 S   CM   _C5_    37     1.35567   121.01045   -81.78889
   38    37 S   CM   _C19    38     1.46153   120.73091   178.65012
   39    38 S   Br   Br1_    39     1.87499   119.79599  -159.57849
   40    37 S   OS   _O33    76     1.38601   122.67287     3.63410
   41    38 S   CM   _C18    40     1.34449   120.02150    20.84785
   42    41 S   HC   _H21    41     1.08639   120.31582   177.34937
   43    40 S   CT   _C4_    77     1.42896   111.12191   -96.73812
   44    43 S   HC   _H4_    78     1.09352   107.81224  -176.77985
   45    43 S   HC   _H5_    79     1.09478   111.05493    64.91450
   46    43 S   HC   _H6_    80     1.09500   111.68506   -58.26384
   47    41 S   CT   _C8_    42     1.51977   121.66759    -2.53860
   48    47 S   CT   _C9_    43     1.53243   112.90949  -157.30428
   49    48 S   HC   _H7_    44     1.09522   113.28801   157.79427
   50    48 S   HC   _H8_    45     1.09269   114.19845    30.67548
   51    33 S   CT   _C7_    73     1.53953   117.21241   102.32643
   52    51 S   OM   _O36    74     1.32835   106.45431   -88.81280
   53    51 S   HC   _H3_    75     1.10194   105.75685    39.36842
   54    48 S   CD   _C10    46     1.47698    98.19417   -89.20824
   55    54 S   NI   _N4_    47     1.28799   116.76420   -17.43490
   56    54 S   C    _C11    49     1.49042   120.95747   164.00334
   57    56 S   O    _O35    50     1.22002   118.58525   113.06415
   58    47 S   OS   _O34    48     1.45974   106.37752    90.59329
   59    56 S   N    _N5_    51     1.37636   112.77303   -67.09162
   60    59 S   H    _H9_    52     1.01505   119.42697    -1.74350
   61    59 S   CT   _C12    53     1.44885   122.64971   178.82964
   62    61 S   HC   _H10    54     1.09586   108.23029    42.67621
   63    61 S   HC   _H11    55     1.09462   107.42060   158.76583
   64    61 S   CT   _C13    56     1.53094   112.77573   -78.37917
   65    64 S   HC   _H12    57     1.09721   109.06277    64.03672
   66    64 S   HC   _H13    58     1.09728   108.45997   179.65452
   67    64 S   CT   _C14    59     1.53042   114.74487   -57.25101
   68    67 S   HC   _H14    60     1.09580   110.64485    60.42394
   69    67 S   HC   _H15    61     1.09655   109.09358   177.42557
   70    67 S   C5X  _C15    62     1.47684   113.20320   -62.48895
   71    70 S   C5X  _C16    63     1.37567   132.25775   -72.31250
   72    71 S   HA   _H16    64     1.07326   134.93789     0.20367
   73    71 S   N5P  _N6_    65     1.37312   107.45812  -179.94065
   74    73 S   H    _H17    66     1.01565   125.30231  -179.92598
   75    73 S   CRP  _C17    67     1.33313   109.57626     0.35882
   76    70 S   N5P  _N7_    68     1.38695   122.57263   108.13441
   77    76 S   H    _H18    69     1.01560   124.90250     0.51738
   78    75 S   NE   _N8_    70     1.35170   126.28216   179.71333
   79    78 S   H    _H19    71     1.01567   120.83779  -179.83687
   80    78 S   H    _H20    72     1.01567   120.83099    -0.00000
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   8   5   4   3
  12   2   1   1  13   9   4   6  11   4   3   2   1   1  10  11
   6   5   5   2   1   7   4   8   3   1   8   4   9   5   4   8
   5   4   9   4   3   8   7   4   7   3   5   4   1   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    51    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    47    51    52    53    40  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    41    47    48    58    51    52    53    40    43  
   35    36  
   36  
    0  
   38    39    41    42    47    51    52    53    40    43    44    45    46  
   39    41    42    47    48    58    51    40    43  
   41    42    47    40  
   43    44    45    46    41    51  
   42    47    48    49    50    54    55    58    51    52    53  
   47    48    58    51  
   44    45    46  
   45    46  
   46  
    0  
   48    49    50    54    55    58    56    51    52    53  
   49    50    54    55    58    56    57    59    51    52    53  
   50    54    55    58    56    51  
   54    55    58    56    51  
   52    53    54    55    58  
   53    58  
   58  
   55    58    56    57    59    60    61  
   58    56    57    59  
   57    59    60    61    62    63    64    58  
   59    60    61  
    0  
   60    61    62    63    64    65    66    67  
   61    62    63    64  
   62    63    64    65    66    67    68    69    70  
   63    64    65    66    67  
   64    65    66    67  
   65    66    67    68    69    70    71    76  
   66    67    68    69    70  
   67    68    69    70  
   68    69    70    71    72    73    75    76    77  
   69    70    71    76  
   70    71    76  
   71    72    73    74    75    76    77    78  
   72    73    74    75    76    77    78  
   73    74    75    76  
   74    75    76    77    78    79    80  
   75    76    78  
   76    77    78    79    80  
   77    78    79    80  
   78  
   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  -0.175000   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   3.5500   0.0760   0.007500   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5500   0.0760   0.085000   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5500   0.0760   0.179500   2.0020   1.7750   0.023028004  -0.852763146
   39   3.4700   0.4700  -0.179500   2.8000   2.5000   0.001000000  -0.686339560
   40   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   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   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660   0.222500   1.9750   1.7500   0.005000000  -0.741685710
   48   3.5000   0.0660  -0.083900   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   52   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   53   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.7500   0.1050   0.353600   2.0020   1.7750   0.023028004  -0.852763146
   55   3.2800   0.1700  -0.289700   1.8540   1.6400   0.005000000   0.000000000
   56   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   58   2.9000   0.1400  -0.322500   1.5900   1.4000   0.020110767  -0.896042159
   59   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   60   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   61   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   63   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   64   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.005000   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   0.0700  -0.031100   2.0020   1.7750   0.001000000  -0.843144165
   71   3.5500   0.0700   0.055400   2.0020   1.7750   0.001000000  -0.843144165
   72   2.4200   0.0300   0.182200   1.3810   1.2100   0.030040813   0.268726247
   73   3.2500   0.1700  -0.232400   1.9750   1.7500   0.001000000  -0.511443539
   74   0.0000   0.0000   0.379700   0.9960   0.8600   0.030040813  -0.651083722
   75   3.5500   0.0700   0.537800   2.0020   1.7750   0.001000000  -0.843144165
   76   3.2500   0.1700  -0.186300   1.8650   1.6500   0.001000000  -0.511443539
   77   0.0000   0.0000   0.379700   0.9960   0.8600   0.030040813  -0.651083722
   78   3.3000   0.1700  -0.920000   1.8650   1.6500   0.051222218  -2.220205820
   79   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   80   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   240.000  1.763
   33    37   549.000  1.340
   33    51   317.000  1.510
   37    38   380.000  1.444
   37    40   440.000  1.360
   38    39   165.000  1.979
   38    41   549.000  1.340
   41    42   340.000  1.080
   41    47   317.000  1.510
   47    48   268.000  1.529
   47    58   320.000  1.410
   47    51   268.000  1.529
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    54   270.000  1.508
   54    55   500.000  1.261
   54    56   270.000  1.486
   55    58   320.000  1.394
   56    57   570.000  1.229
   56    59   490.000  1.335
   59    60   434.000  1.010
   59    61   337.000  1.449
   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   340.000  1.090
   64    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   295.000  1.488
   70    71   520.000  1.370
   70    76   455.000  1.369
   71    72   367.000  1.080
   71    73   455.000  1.369
   73    74   505.000  1.012
   73    75   520.000  1.338
   75    76   520.000  1.338
   75    78   510.000  1.332
   76    77   505.000  1.012
   78    79   434.000  1.010
   78    80   434.000  1.010
   51    52   570.000  1.307
   51    53   340.000  1.090
   40    43   320.000  1.410
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   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    85.00000  102.41200
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    65.00000  122.11800
   29    33    51    65.00000  117.37300
   33    37    38    70.00000  123.01800
   33    37    40    80.00000  120.01400
   33    51    47    70.00000  112.02700
   33    51    52    85.00000  110.90400
   33    51    53    35.00000  109.50000
   37    38    39    65.00000  115.01300
   37    38    41    70.00000  123.01800
   37    40    43    90.00000  111.18400
   38    41    42    35.00000  120.00000
   38    41    47    70.00000  124.00000
   41    38    39    65.00000  115.01300
   41    47    48    70.00000  112.02700
   41    47    58    85.00000  110.90400
   41    47    51    70.00000  112.02700
   47    41    42    35.00000  117.00000
   47    48    49    37.50000  110.70000
   47    48    50    37.50000  110.70000
   47    48    54    70.00000  111.76100
   47    58    55   110.00000  106.71400
   47    51    52    50.00000  109.50000
   47    51    53    37.50000  110.70000
   48    54    55    65.00000  122.10100
   48    54    56    60.00000  116.68000
   50    48    49    33.00000  107.80000
   54    48    49    45.00000  109.49600
   54    48    50    45.00000  109.49600
   54    55    58   100.00000  109.52600
   54    56    57    80.00000  120.45000
   54    56    59    75.00000  109.57000
   58    47    48    50.00000  109.50000
   56    54    55    65.00000  123.79500
   56    59    60    35.00000  119.80000
   56    59    61    50.00000  121.90000
   59    56    57    80.00000  122.90000
   59    61    62    35.00000  109.50000
   59    61    63    35.00000  109.50000
   59    61    64    70.00000  110.72300
   61    59    60    38.00000  118.40000
   61    64    65    37.50000  110.70000
   61    64    66    37.50000  110.70000
   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    67    68    37.50000  110.70000
   64    67    69    37.50000  110.70000
   64    67    70    70.00000  111.35000
   66    64    65    33.00000  107.80000
   67    64    65    37.50000  110.70000
   67    64    66    37.50000  110.70000
   67    70    71    55.00000  134.05000
   67    70    76    65.00000  124.50300
   69    67    68    33.00000  107.80000
   70    67    68    45.00000  109.40800
   70    67    69    45.00000  109.40800
   70    71    72    35.00000  130.70000
   70    71    73    90.00000  106.19800
   70    76    75    85.00000  110.35700
   70    76    77    40.00000  124.45100
   71    73    74    40.00000  124.45100
   71    73    75    85.00000  110.35700
   73    71    72    40.00000  122.05800
   73    75    76   100.00000  107.19100
   73    75    78    70.00000  121.58000
   75    73    74    45.00000  124.15700
   75    76    77    45.00000  124.15700
   75    78    79    50.00000  117.92000
   75    78    80    50.00000  117.92000
   76    70    71    90.00000  106.19800
   78    75    76    70.00000  121.58000
   80    78    79    35.00000  109.00000
   51    33    37    70.00000  124.00000
   51    47    48    58.35000  112.70000
   51    47    58    50.00000  109.50000
   53    51    52    45.00000  125.66300
   40    37    38    80.00000  120.01400
   40    43    44    35.00000  109.50000
   40    43    45    35.00000  109.50000
   40    43    46    35.00000  109.50000
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    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   0.00000  1.0 1.0
   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   1.00000 -1.0 2.0
   24    29    33    51   1.00000 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   7.00000 -1.0 2.0
   29    33    37    40   7.00000 -1.0 2.0
   29    33    51    47   0.09700  1.0 1.0
   29    33    51    47   0.15600 -1.0 2.0
   29    33    51    47  -0.50800  1.0 3.0
   29    33    51    52   0.09700  1.0 1.0
   29    33    51    52   0.15600 -1.0 2.0
   29    33    51    52  -0.50800  1.0 3.0
   29    33    51    53   0.00000  1.0 1.0
   33    37    38    39  -0.18600  1.0 3.0
   33    37    38    41   0.28850  1.0 1.0
   33    37    38    41   2.61350 -1.0 2.0
   33    37    38    41   0.78400  1.0 3.0
   33    37    40    43  -2.26850  1.0 1.0
   33    37    40    43   3.39050 -1.0 2.0
   37    33    51    47   0.09850  1.0 1.0
   37    33    51    47   0.15250 -1.0 2.0
   37    33    51    47  -0.50650  1.0 3.0
   37    33    51    52   0.39000  1.0 1.0
   37    33    51    52  -0.05800 -1.0 2.0
   37    33    51    52  -0.55150  1.0 3.0
   37    33    51    53   0.00000  1.0 1.0
   37    38    41    42   7.00000 -1.0 2.0
   37    38   -41    47   7.00000 -1.0 2.0
   37    40    43    44   0.08050  1.0 3.0
   37    40    43    45   0.08050  1.0 3.0
   37    40    43    46   0.08050  1.0 3.0
   38    37    40    43  -2.26850  1.0 1.0
   38    37    40    43   3.39050 -1.0 2.0
   38    41    47    48   0.09850  1.0 1.0
   38    41    47    48   0.15250 -1.0 2.0
   38    41    47    48  -0.50650  1.0 3.0
   38    41    47    58   0.39000  1.0 1.0
   38    41    47    58  -0.05800 -1.0 2.0
   38    41    47    58  -0.55150  1.0 3.0
   38    41    47    51   0.09850  1.0 1.0
   38    41    47    51   0.15250 -1.0 2.0
   38    41    47    51  -0.50650  1.0 3.0
   39    38    41    42   7.00000 -1.0 2.0
   39    38    41    47   7.00000 -1.0 2.0
   41    47    48    49   0.15000  1.0 3.0
   41    47    48    50   0.15000  1.0 3.0
   41    47    48    54   0.31000  1.0 1.0
   41    47    48    54   0.14700 -1.0 2.0
   41    47    48    54   0.07550  1.0 3.0
   41    47    58    55   0.37500  1.0 3.0
   41    47   -51    33   0.31000  1.0 1.0
   41    47   -51    33   0.14700 -1.0 2.0
   41    47   -51    33   0.07550  1.0 3.0
   41    47    51    52   0.61850  1.0 1.0
   41    47    51    52  -0.22750 -1.0 2.0
   41    47    51    52   0.15300  1.0 3.0
   41    47    51    53   0.15000  1.0 3.0
   42    41    47    48   0.00000  1.0 1.0
   42    41    47    58   0.00000  1.0 1.0
   42    41    47    51   0.00000  1.0 1.0
   47    48   -54    55   0.00000  1.0 1.0
   47    48    54    56   0.00000  1.0 1.0
   48    47   -58    55   0.37500  1.0 3.0
   48    47    51    33   0.34400  1.0 1.0
   48    47    51    33   0.09450 -1.0 2.0
   48    47    51    33   0.11100  1.0 3.0
   48    47    51    52   0.62750  1.0 1.0
   48    47    51    52  -0.30950 -1.0 2.0
   48    47    51    52   0.27300  1.0 3.0
   48    47    51    53   0.15000  1.0 3.0
   48    54   -55    58   6.00000 -1.0 2.0
   48    54    56    57   1.00000 -1.0 2.0
   48    54    56    59   1.50000 -1.0 2.0
   49    48    54    55   0.00000  1.0 1.0
   49    48    54    56   0.00000  1.0 1.0
   50    48    54    55   0.00000  1.0 1.0
   50    48    54    56   0.00000  1.0 1.0
   54    55   -58    47   1.50000 -1.0 2.0
   54    56    59    60   2.56700 -1.0 2.0
   54    56    59    61   1.49850  1.0 1.0
   54    56    59    61   1.53950 -1.0 2.0
   55    54    56    57   1.00000 -1.0 2.0
   55    54    56    59   1.50000 -1.0 2.0
   58    47    48    49   0.23400  1.0 3.0
   58    47    48    50   0.23400  1.0 3.0
   58    47   -48    54   0.61850  1.0 1.0
   58    47   -48    54  -0.22750 -1.0 2.0
   58    47   -48    54   0.15300  1.0 3.0
   58    47    51    33   0.61850  1.0 1.0
   58    47    51    33  -0.22750 -1.0 2.0
   58    47    51    33   0.15300  1.0 3.0
   58    47    51    52   1.11900  1.0 1.0
   58    47    51    52  -1.16350 -1.0 2.0
   58    47    51    52  -0.34150  1.0 3.0
   58    47    51    53   0.23400  1.0 3.0
   56    54    55    58   6.00000 -1.0 2.0
   56    59    61    62   0.00000  1.0 1.0
   56    59    61    63   0.00000  1.0 1.0
   56    59    61    64  -0.43950  1.0 1.0
   56    59    61    64  -0.08100 -1.0 2.0
   56    59    61    64   0.03350  1.0 3.0
   57    56    59    60   2.45000 -1.0 2.0
   57    56    59    61   3.04450 -1.0 2.0
   59    61    64    65   0.15000  1.0 3.0
   59    61    64    66   0.15000  1.0 3.0
   59    61    64    67   0.43900  1.0 1.0
   59    61    64    67   0.49100 -1.0 2.0
   59    61    64    67   0.28400  1.0 3.0
   60    59    61    62   0.00000  1.0 1.0
   60    59    61    63   0.00000  1.0 1.0
   60    59    61    64   0.00000  1.0 1.0
   61    64    67    68   0.15000  1.0 3.0
   61    64    67    69   0.15000  1.0 3.0
   61    64    67    70  -0.03700  1.0 1.0
   61    64    67    70   0.37200 -1.0 2.0
   61    64    67    70  -0.47300  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    67    70    71   0.04150 -1.0 2.0
   64    67    70    76   0.39850  1.0 1.0
   64    67    70    76   0.06450 -1.0 2.0
   64    67    70    76   0.32400  1.0 3.0
   65    64    67    68   0.15000  1.0 3.0
   65    64    67    69   0.15000  1.0 3.0
   65    64    67    70   0.43200  1.0 3.0
   66    64    67    68   0.15000  1.0 3.0
   66    64    67    69   0.15000  1.0 3.0
   66    64    67    70   0.43200  1.0 3.0
   67    70    71    72   3.50000 -1.0 2.0
   67    70    71    73   3.50000 -1.0 2.0
   67    70    76    75   3.62500 -1.0 2.0
   67    70    76    77   2.00000 -1.0 2.0
   68    67    70    71   0.00000  1.0 1.0
   68    67    70    76   0.00000  1.0 1.0
   69    67    70    71   0.00000  1.0 1.0
   69    67    70    76   0.00000  1.0 1.0
   70    71    73    74   1.40000 -1.0 2.0
   70    71   -73    75   3.62500 -1.0 2.0
   71    70   -76    75   3.62500 -1.0 2.0
   71    70    76    77   1.40000 -1.0 2.0
   71    73   -75    76   3.62500 -1.0 2.0
   71    73    75    78   3.62500 -1.0 2.0
   72    71    73    74   1.60000 -1.0 2.0
   72    71    73    75   3.62500 -1.0 2.0
   73    75   -76    70   3.62500 -1.0 2.0
   73    75    76    77   2.00000 -1.0 2.0
   73    75    78    79   1.75000 -1.0 2.0
   73    75    78    80   1.75000 -1.0 2.0
   74    73    75    76   2.00000 -1.0 2.0
   74    73    75    78   2.00000 -1.0 2.0
   76    70    71    72   5.37500 -1.0 2.0
   76    70   -71    73   5.37500 -1.0 2.0
   76    75    78    79   1.75000 -1.0 2.0
   76    75    78    80   1.75000 -1.0 2.0
   78    75    76    70   3.62500 -1.0 2.0
   78    75    76    77   2.00000 -1.0 2.0
   51    33   -37    38   7.00000 -1.0 2.0
   51    33    37    40   7.00000 -1.0 2.0
   51    47    48    49   0.15000  1.0 3.0
   51    47    48    50   0.15000  1.0 3.0
   51    47    48    54   0.34400  1.0 1.0
   51    47    48    54   0.09450 -1.0 2.0
   51    47    48    54   0.11100  1.0 3.0
   51    47    58    55   0.37500  1.0 3.0
   40    37    38    39   1.08500 -1.0 2.0
   40    37    38    41  -0.51250  1.0 1.0
   40    37    38    41   1.23350 -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
   35    30    34    36  10.50000 -1.0 2.0
   29    51    33    37   1.10000 -1.0 2.0
   38    40    37    33   1.10000 -1.0 2.0
   37    39    38    41   1.10000 -1.0 2.0
   47    42    41    38   1.10000 -1.0 2.0
   48    56    54    55  10.50000 -1.0 2.0
   54    59    56    57  10.50000 -1.0 2.0
   60    56    59    61   1.00000 -1.0 2.0
   71    76    70    67   4.00000 -1.0 2.0
   73    72    71    70   1.10000 -1.0 2.0
   74    71    73    75   1.00000 -1.0 2.0
   76    78    75    73   4.00000 -1.0 2.0
   77    70    76    75   1.00000 -1.0 2.0
   80    75    78    79   1.00000 -1.0 2.0
END
