* LIGAND DATABASE FILE (OPLS2005)
*
001      84    85    158    227     458
    1     0 S   NP   _N1_     1    28.80362    97.34513   -22.17345
    2     1 S   H    _HN1     2     1.02950    67.96973    17.63350
    3     1 S   H    _H1_     3     1.02828    46.52009   162.78100
    4     1 S   H    _H2_     4     1.02788    97.16517   -89.32032
    5     1 S   CT   _CA1     5     1.50117   148.65977   111.01169
    6     5 S   HC   _HA1     6     1.09573   105.19399    96.82312
    7     5 S   CO3  _C1_     7     1.53790   112.42826   -23.41571
    8     7 S   O2Z  _O11     8     1.26376   115.01261   -43.32256
    9     7 S   O2Z  _O12     9     1.26236   114.94146   135.76372
   10     5 S   CT   _CB1    10     1.53071   107.41172  -145.20729
   11    10 S   HC   HB11    11     1.09835   109.38051   -49.61931
   12    10 S   HC   HB12    12     1.09812   110.45116    66.98749
   13    10 S   CT   _CG1    13     1.52995   112.60575  -170.58224
   14    13 S   HC   HG11    14     1.09581   110.64353   -65.53277
   15    13 S   HC   HG12    15     1.09669   109.78413    53.70657
   16    13 S   C    _CD1    16     1.51803   112.17431   174.16387
   17    16 S   O    _OE1    17     1.22739   123.26841     7.37592
   18    16 S   N    _N2_    18     1.38647   111.71279  -172.71471
   19    18 S   H    _HN2    19     1.01585   118.96743     1.64378
   20    18 S   CT1  _CA2    20     1.46200   123.38490   177.69056
   21    20 S   HC   _HA2    21     1.09735   109.34093     4.17096
   22    20 S   C    _C2_    22     1.53566   108.75625  -111.38981
   23    22 S   O    _O2_    23     1.23072   122.23355  -148.30159
   24    20 S   CT   _CB2    32     1.53339   111.56164   126.14637
   25    24 S   HC   HB21    33     1.09439   109.90373    57.21648
   26    24 S   HC   HB22    34     1.09525   110.13063   176.11566
   27    22 S   N    _N3_    24     1.38317   113.78065    39.15872
   28    27 S   H    _HN3    25     1.01577   119.61063    -3.28116
   29    24 S   S    _SG2    35     1.82695   111.50312   -64.26467
   30    27 S   CT   _CA3    26     1.45289   123.21376   177.15779
   31    30 S   HC   HA31    27     1.09550   107.51299   -64.62272
   32    30 S   HC   HA32    28     1.09558   107.98109    51.81632
   33    29 S   CT   _C15    36     1.84411    99.78142   179.53648
   34    33 S   HC   _H11    37     1.09720   108.29398    24.32493
   35    30 S   CO3  _C3_    29     1.52963   114.08392   173.82330
   36    35 S   O2Z  _O31    30     1.26376   116.07853    -0.25334
   37    35 S   O2Z  _O32    31     1.26428   114.41192   179.80218
   38    33 S   CT   _C14    38     1.54016   109.73874   -94.38051
   39    38 S   HC   _H10    39     1.09719   111.33120   -49.79796
   40    38 S   CT   _C13    40     1.53071   110.26808  -171.45893
   41    40 S   HC   _H9_    41     1.09748   108.70104   -67.94119
   42    38 S   OH   _O41    83     1.43049   110.39621    68.48372
   43    42 S   HO   _H25    84     0.97220   108.15236    64.38982
   44    40 S   CO   _C12    42     1.53003   111.30197    52.56727
   45    44 S   HC   _H8_    43     1.09487   107.53717  -173.03818
   46    40 S   OH   _O42    81     1.42534   109.54492   175.42830
   47    46 S   HO   _H26    82     0.97378   107.84485  -173.03415
   48    44 S   OS   _O40    44     1.42926   109.49808   -57.25694
   49    44 S   OS   _O39    51     1.43508   110.54229    67.07912
   50    33 S   CT   _C16    45     1.54290   110.05144   143.20714
   51    50 S   HC   _H12    46     1.09479   110.24423    53.82968
   52    49 S   CT   _C6_    52     1.43414   113.59888   146.95013
   53    52 S   HC   _H4_    53     1.09786   109.23502    25.63837
   54    50 S   CT   _C17    47     1.52863   113.01588   -67.36260
   55    54 S   HC   _H22    48     1.09574   110.81196   -57.81750
   56    54 S   HC   _H23    49     1.09600   110.17607  -175.45688
   57    54 S   HC   _H24    50     1.09313   112.46503    64.05834
   58    52 S   CT   _C5_    54     1.54239   109.82789   144.56169
   59    58 S   HC   _H3_    55     1.09950   107.32384  -174.03938
   60    58 S   CO   _C9_    56     1.54089   110.91825    68.34294
   61    60 S   HC   _H7_    57     1.09679   110.30254   -64.25267
   62    58 S   CT   _C4_    77     1.53022   112.07829   -56.74472
   63    62 S   HC   _H13    78     1.09358   111.44376    74.02165
   64    62 S   HC   _H14    79     1.09488   111.03064   -47.13737
   65    62 S   HC   _H15    80     1.09522   110.78486  -166.44732
   66    60 S   OS   _O33    58     1.43015   110.00206    57.41848
   67    60 S   OS   _O34    72     1.43479   107.95927   177.60216
   68    66 S   CT   _C8_    59     1.42884   114.94391   -60.08602
   69    68 S   HC   _H6_    60     1.09778   105.68627   172.14347
   70    67 S   CT   _C10    73     1.42144   112.26216   169.75560
   71    70 S   HC   _H16    74     1.09333   108.25159  -179.39769
   72    70 S   HC   _H17    75     1.09393   110.81362    61.76486
   73    70 S   HC   _H18    76     1.09422   110.53343   -60.68587
   74    52 S   CT   _C7_    61     1.54148   110.68199   -95.47061
   75    74 S   HC   _H5_    62     1.09939   106.64710   172.95686
   76    68 S   CT   _C11    68     1.52795   111.17721   -74.09161
   77    76 S   HC   _H19    69     1.09236   112.75320    66.25083
   78    76 S   HC   _H20    70     1.09579   109.86639   -52.00242
   79    76 S   HC   _H21    71     1.09398   111.30527  -171.70999
   80    74 S   OS   _O35    63     1.42382   111.06527    53.26793
   81    80 S   SY   _S1_    64     1.63691   120.45851   105.42689
   82    81 S   OY   _O38    65     1.46150   104.44055   -54.05291
   83    81 S   OY   _O36    66     1.46148   103.16973  -173.70945
   84    81 S   OY   _O37    67     1.46125   104.08909    66.54024
  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
  16   8   2   1   1  14   7  11   7   4   1  12   5   3   1   8
  11   5   4  18   8   3   2   1   1  14   9  15   5   6   2   1
   1  11   5   9   7   3   2   1   1  10   3   4   2   1   1   4
   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    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    48    50    51    54    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    48    50    51    54    55    56    57    46    42    43  
   38    39    40    48    50    51    54    42  
   36    37  
   37  
    0  
   39    40    41    44    45    48    50    51    54    49    46    47    42    43  
   40    41    44    50    46    42    43  
   41    44    45    48    50    49    52    46    47    42    43  
   44    45    48    49    46    47    42  
   43    44    46    50  
    0  
   45    48    50    51    54    49    52    53    58    74    46    47  
   48    50    49    52    46  
   47    48    49  
    0  
   50    51    54    55    56    57    49    52  
   52    53    58    59    60    68    74    75    80    62    50  
   51    54    55    56    57  
   54    55    56    57  
   53    58    59    60    61    66    68    69    74    75    80    81    76    67    62    63    64    65  
   58    59    60    68    74    75    80    62  
   55    56    57  
   56    57  
   57  
    0  
   59    60    61    66    68    74    75    80    67    70    62    63    64    65  
   60    61    66    74    67    62    63    64    65  
   61    66    68    69    74    76    67    70    71    72    73    62    63    64    65  
   66    68    67    70    62  
   63    64    65    66    67    74  
   64    65  
   65  
    0  
   68    69    74    75    80    76    77    78    79    67    70  
   70    71    72    73    68  
   69    74    75    80    81    76    77    78    79  
   74    75    80    76    77    78    79  
   71    72    73  
   72    73  
   73  
    0  
   75    80    81    82    83    84    76    77    78    79  
   80    81    76  
   77    78    79    80  
   78    79  
   79  
    0  
   81    82    83    84  
   82    83    84  
   83    84  
   84  
    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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   49   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   50   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   52   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   67   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   68   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   71   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   72   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5000   0.0660   0.111100   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.9000   0.1400  -0.500300   1.7660   1.5600   0.020110767  -0.896042159
   81   3.5500   0.2500   1.628500   2.0025   1.7750   0.025682759  -1.666211680
   82   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   83   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   84   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
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    50   268.000  1.529
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    44   250.000  1.527
   40    46   320.000  1.410
   44    45   340.000  1.090
   44    48   320.000  1.380
   44    49   320.000  1.380
   48    50   320.000  1.410
   50    51   340.000  1.090
   50    54   268.000  1.529
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   340.000  1.090
   49    52   320.000  1.410
   52    53   340.000  1.090
   52    58   268.000  1.529
   52    74   268.000  1.529
   58    59   340.000  1.090
   58    60   250.000  1.527
   58    62   268.000  1.529
   60    61   340.000  1.090
   60    66   320.000  1.380
   60    67   320.000  1.380
   66    68   320.000  1.410
   68    69   340.000  1.090
   68    74   268.000  1.529
   68    76   268.000  1.529
   74    75   340.000  1.090
   74    80   320.000  1.410
   80    81   335.000  1.682
   81    82   735.000  1.471
   81    83   735.000  1.471
   81    84   735.000  1.471
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   340.000  1.090
   67    70   320.000  1.410
   70    71   340.000  1.090
   70    72   340.000  1.090
   70    73   340.000  1.090
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   340.000  1.090
   46    47   553.000  0.945
   42    43   553.000  0.945
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    50    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    50    48    50.00000  109.50000
   33    50    51    37.50000  110.70000
   33    50    54    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    75.00000  109.43000
   38    40    46    50.00000  109.50000
   38    42    43    55.00000  108.50000
   40    38    39    37.50000  110.70000
   40    44    45    45.00000  112.01100
   40    44    48    90.00000  108.56700
   40    44    49    90.00000  108.56700
   40    46    47    55.00000  108.50000
   44    40    41    45.00000  108.72000
   44    48    50    60.00000  109.50000
   44    49    52    60.00000  109.50000
   48    44    45    35.00000  109.50000
   48    50    51    35.00000  109.50000
   48    50    54    50.00000  109.50000
   50    33    34    37.50000  110.70000
   50    33    38    58.35000  112.70000
   50    54    55    37.50000  110.70000
   50    54    56    37.50000  110.70000
   50    54    57    37.50000  110.70000
   54    50    51    37.50000  110.70000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    33.00000  107.80000
   49    44    45    35.00000  109.50000
   49    44    48    92.60000  111.55000
   49    52    53    35.00000  109.50000
   49    52    58    50.00000  109.50000
   49    52    74    50.00000  109.50000
   52    58    59    37.50000  110.70000
   52    58    60    75.00000  109.43000
   52    58    62    58.35000  112.70000
   52    74    68    58.35000  112.70000
   52    74    75    37.50000  110.70000
   52    74    80    50.00000  109.50000
   58    52    53    37.50000  110.70000
   58    60    61    45.00000  112.01100
   58    60    66    90.00000  108.56700
   58    60    67    90.00000  108.56700
   58    62    63    37.50000  110.70000
   58    62    64    37.50000  110.70000
   58    62    65    37.50000  110.70000
   60    58    59    45.00000  108.72000
   60    66    68    60.00000  109.50000
   60    67    70    60.00000  109.50000
   66    60    61    35.00000  109.50000
   66    68    69    35.00000  109.50000
   66    68    74    50.00000  109.50000
   66    68    76    50.00000  109.50000
   68    74    75    37.50000  110.70000
   68    74    80    50.00000  109.50000
   68    76    77    37.50000  110.70000
   68    76    78    37.50000  110.70000
   68    76    79    37.50000  110.70000
   74    52    53    37.50000  110.70000
   74    52    58    58.35000  112.70000
   74    68    69    37.50000  110.70000
   74    80    81   100.00000  113.05000
   80    74    75    35.00000  109.50000
   80    81    82   135.00000  106.70400
   80    81    83   135.00000  106.70400
   80    81    84   135.00000  106.70400
   83    81    82   115.00000  120.17200
   84    81    82   115.00000  120.17200
   84    81    83   115.00000  120.17200
   76    68    69    37.50000  110.70000
   76    68    74    58.35000  112.70000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    33.00000  107.80000
   67    60    61    35.00000  109.50000
   67    60    66    92.60000  111.55000
   67    70    71    35.00000  109.50000
   67    70    72    35.00000  109.50000
   67    70    73    35.00000  109.50000
   72    70    71    33.00000  107.80000
   73    70    71    33.00000  107.80000
   73    70    72    33.00000  107.80000
   62    58    59    37.50000  110.70000
   62    58    60    75.00000  109.43000
   64    62    63    33.00000  107.80000
   65    62    63    33.00000  107.80000
   65    62    64    33.00000  107.80000
   46    40    41    35.00000  109.50000
   46    40    44    90.00000  111.58700
   42    38    39    35.00000  109.50000
   42    38    40    50.00000  109.50000
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    50   0.01700  1.0 1.0
   24    29    33    50  -0.23550 -1.0 2.0
   24    29    33    50   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   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    50    48   0.56750  1.0 1.0
   29    33    50    48  -0.07550 -1.0 2.0
   29    33    50    48   0.20000  1.0 3.0
   29    33    50    51   0.15000  1.0 3.0
   29    33    50    54   0.44750  1.0 1.0
   29    33    50    54  -0.17800 -1.0 2.0
   29    33    50    54   0.20200  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    44   3.97050  1.0 1.0
   33    38    40    46   0.86500  1.0 1.0
   33    38    40    46  -0.17500 -1.0 2.0
   33    38    40    46   0.20800  1.0 3.0
   33    38    42    43  -0.11600  1.0 1.0
   33    38    42    43  -0.09450 -1.0 2.0
   33    38    42    43   0.21250  1.0 3.0
   33    50    54    55   0.15000  1.0 3.0
   33    50    54    56   0.15000  1.0 3.0
   33    50    54    57   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    50    48   0.23400  1.0 3.0
   34    33    50    51   0.15000  1.0 3.0
   34    33    50    54   0.15000  1.0 3.0
   38    33    50    48   0.62750  1.0 1.0
   38    33    50    48  -0.30950 -1.0 2.0
   38    33    50    48   0.27300  1.0 3.0
   38    33    50    51   0.15000  1.0 3.0
   38    33    50    54   0.56750  1.0 1.0
   38    33    50    54  -0.07550 -1.0 2.0
   38    33    50    54   0.20000  1.0 3.0
   38    40    44    45   0.15000  1.0 3.0
   38    40   -44    48   0.62750  1.0 1.0
   38    40   -44    48  -0.30950 -1.0 2.0
   38    40   -44    48   0.27300  1.0 3.0
   38    40    44    49   0.62750  1.0 1.0
   38    40    44    49  -0.30950 -1.0 2.0
   38    40    44    49   0.27300  1.0 3.0
   38    40    46    47  -0.11600  1.0 1.0
   38    40    46    47  -0.09450 -1.0 2.0
   38    40    46    47   0.21250  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44   0.15000  1.0 3.0
   39    38    40    46   0.23400  1.0 3.0
   39    38    42    43   0.19450  1.0 3.0
   40    38    42    43  -0.11600  1.0 1.0
   40    38    42    43  -0.09450 -1.0 2.0
   40    38    42    43   0.21250  1.0 3.0
   40    44    48    50   0.06250  1.0 1.0
   40    44    48    50  -0.01100 -1.0 2.0
   40    44    48    50   0.28050  1.0 3.0
   40    44    49    52   0.06250  1.0 1.0
   40    44    49    52  -0.01100 -1.0 2.0
   40    44    49    52   0.28050  1.0 3.0
   41    40    44    45   0.15000  1.0 3.0
   41    40    44    48   0.23400  1.0 3.0
   41    40    44    49   0.23400  1.0 3.0
   41    40    46    47   0.19450  1.0 3.0
   44    40    46    47  -0.11600  1.0 1.0
   44    40    46    47  -0.09450 -1.0 2.0
   44    40    46    47   0.21250  1.0 3.0
   44    48   -50    33   0.06250  1.0 1.0
   44    48   -50    33  -0.01100 -1.0 2.0
   44    48   -50    33   0.28050  1.0 3.0
   44    48    50    51   0.37050  1.0 3.0
   44    48    50    54   0.06250  1.0 1.0
   44    48    50    54  -0.01100 -1.0 2.0
   44    48    50    54   0.28050  1.0 3.0
   44    49    52    53   0.37050  1.0 3.0
   44    49    52    58   0.06250  1.0 1.0
   44    49    52    58  -0.01100 -1.0 2.0
   44    49    52    58   0.28050  1.0 3.0
   44    49    52    74   0.06250  1.0 1.0
   44    49    52    74  -0.01100 -1.0 2.0
   44    49    52    74   0.28050  1.0 3.0
   45    44    48    50   0.37050  1.0 3.0
   45    44    49    52   0.37050  1.0 3.0
   48    44    49    52  -0.53350  1.0 1.0
   48    44    49    52  -0.78350 -1.0 2.0
   48    44    49    52   0.33750  1.0 3.0
   48    50    54    55   0.23400  1.0 3.0
   48    50    54    56   0.23400  1.0 3.0
   48    50    54    57   0.23400  1.0 3.0
   50    33    38    39   0.15000  1.0 3.0
   50    33   -38    40   0.56750  1.0 1.0
   50    33   -38    40  -0.07550 -1.0 2.0
   50    33   -38    40   0.20000  1.0 3.0
   50    33    38    42   0.86500  1.0 1.0
   50    33    38    42  -0.17500 -1.0 2.0
   50    33    38    42   0.20800  1.0 3.0
   51    50    54    55   0.15000  1.0 3.0
   51    50    54    56   0.15000  1.0 3.0
   51    50    54    57   0.15000  1.0 3.0
   49    44    48    50  -0.81800  1.0 1.0
   49    52    58    59   0.23400  1.0 3.0
   49    52    58    60   0.62750  1.0 1.0
   49    52    58    60  -0.30950 -1.0 2.0
   49    52    58    60   0.27300  1.0 3.0
   49    52    58    62   0.62750  1.0 1.0
   49    52    58    62  -0.30950 -1.0 2.0
   49    52    58    62   0.27300  1.0 3.0
   49    52    74    68   0.62750  1.0 1.0
   49    52    74    68  -0.30950 -1.0 2.0
   49    52    74    68   0.27300  1.0 3.0
   49    52    74    75   0.23400  1.0 3.0
   49    52    74    80   1.11900  1.0 1.0
   49    52    74    80  -1.16350 -1.0 2.0
   49    52    74    80  -0.34150  1.0 3.0
   52    58    60    61   0.15000  1.0 3.0
   52    58    60    66   0.62750  1.0 1.0
   52    58    60    66  -0.30950 -1.0 2.0
   52    58    60    66   0.27300  1.0 3.0
   52    58    60    67   0.62750  1.0 1.0
   52    58    60    67  -0.30950 -1.0 2.0
   52    58    60    67   0.27300  1.0 3.0
   52    58    62    63   0.15000  1.0 3.0
   52    58    62    64   0.15000  1.0 3.0
   52    58    62    65   0.15000  1.0 3.0
   52    74    80    81   0.37500  1.0 3.0
   53    52    58    59   0.15000  1.0 3.0
   53    52    58    60   0.15000  1.0 3.0
   53    52    58    62   0.15000  1.0 3.0
   53    52    74    68   0.15000  1.0 3.0
   53    52    74    75   0.15000  1.0 3.0
   53    52    74    80   0.23400  1.0 3.0
   58    52    74    68   0.56750  1.0 1.0
   58    52    74    68  -0.07550 -1.0 2.0
   58    52    74    68   0.20000  1.0 3.0
   58    52    74    75   0.15000  1.0 3.0
   58    52    74    80   0.62750  1.0 1.0
   58    52    74    80  -0.30950 -1.0 2.0
   58    52    74    80   0.27300  1.0 3.0
   58    60   -66    68   0.06250  1.0 1.0
   58    60   -66    68  -0.01100 -1.0 2.0
   58    60   -66    68   0.28050  1.0 3.0
   58    60    67    70   0.06250  1.0 1.0
   58    60    67    70  -0.01100 -1.0 2.0
   58    60    67    70   0.28050  1.0 3.0
   59    58    60    61   0.15000  1.0 3.0
   59    58    60    66   0.23400  1.0 3.0
   59    58    60    67   0.23400  1.0 3.0
   59    58    62    63   0.15000  1.0 3.0
   59    58    62    64   0.15000  1.0 3.0
   59    58    62    65   0.15000  1.0 3.0
   60    58    62    63   0.15000  1.0 3.0
   60    58    62    64   0.15000  1.0 3.0
   60    58    62    65   0.15000  1.0 3.0
   60    66    68    69   0.37050  1.0 3.0
   60    66    68    74   0.06250  1.0 1.0
   60    66    68    74  -0.01100 -1.0 2.0
   60    66    68    74   0.28050  1.0 3.0
   60    66    68    76   0.06250  1.0 1.0
   60    66    68    76  -0.01100 -1.0 2.0
   60    66    68    76   0.28050  1.0 3.0
   60    67    70    71   0.37050  1.0 3.0
   60    67    70    72   0.37050  1.0 3.0
   60    67    70    73   0.37050  1.0 3.0
   61    60    66    68   0.37050  1.0 3.0
   61    60    67    70   0.37050  1.0 3.0
   66    60    67    70  -0.53350  1.0 1.0
   66    60    67    70  -0.78350 -1.0 2.0
   66    60    67    70   0.33750  1.0 3.0
   66    68   -74    52   0.62750  1.0 1.0
   66    68   -74    52  -0.30950 -1.0 2.0
   66    68   -74    52   0.27300  1.0 3.0
   66    68    74    75   0.23400  1.0 3.0
   66    68    74    80   1.11900  1.0 1.0
   66    68    74    80  -1.16350 -1.0 2.0
   66    68    74    80  -0.34150  1.0 3.0
   66    68    76    77   0.23400  1.0 3.0
   66    68    76    78   0.23400  1.0 3.0
   66    68    76    79   0.23400  1.0 3.0
   68    74    80    81   0.37500  1.0 3.0
   69    68    74    52   0.15000  1.0 3.0
   69    68    74    75   0.15000  1.0 3.0
   69    68    74    80   0.23400  1.0 3.0
   69    68    76    77   0.15000  1.0 3.0
   69    68    76    78   0.15000  1.0 3.0
   69    68    76    79   0.15000  1.0 3.0
   74    52    58    59   0.15000  1.0 3.0
   74    52   -58    60   3.97050  1.0 1.0
   74    52    58    62   0.56750  1.0 1.0
   74    52    58    62  -0.07550 -1.0 2.0
   74    52    58    62   0.20000  1.0 3.0
   74    68    76    77   0.15000  1.0 3.0
   74    68    76    78   0.15000  1.0 3.0
   74    68    76    79   0.15000  1.0 3.0
   74    80    81    82   0.29800  1.0 3.0
   74    80    81    83   0.29800  1.0 3.0
   74    80    81    84   0.29800  1.0 3.0
   75    74    80    81   0.00000  1.0 1.0
   76    68    74    52   0.56750  1.0 1.0
   76    68    74    52  -0.07550 -1.0 2.0
   76    68    74    52   0.20000  1.0 3.0
   76    68    74    75   0.15000  1.0 3.0
   76    68    74    80   0.62750  1.0 1.0
   76    68    74    80  -0.30950 -1.0 2.0
   76    68    74    80   0.27300  1.0 3.0
   67    60    66    68  -0.81800  1.0 1.0
   62    58    60    61   0.15000  1.0 3.0
   62    58    60    66   0.62750  1.0 1.0
   62    58    60    66  -0.30950 -1.0 2.0
   62    58    60    66   0.27300  1.0 3.0
   62    58    60    67   0.62750  1.0 1.0
   62    58    60    67  -0.30950 -1.0 2.0
   62    58    60    67   0.27300  1.0 3.0
   46    40    44    45   0.23400  1.0 3.0
   46    40    44    48   3.69350  1.0 1.0
   46    40    44    48  -1.82950 -1.0 2.0
   46    40    44    49   3.69350  1.0 1.0
   46    40    44    49  -1.82950 -1.0 2.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    44   0.86500  1.0 1.0
   42    38    40    44  -0.17500 -1.0 2.0
   42    38    40    44   0.20800  1.0 3.0
   42    38    40    46   3.75450  1.0 1.0
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
END
