* LIGAND DATABASE FILE (OPLS2005)
*
001      84    84    150    205     421
    1     0 S   NP   _N1_     1    29.00930    97.62521   -21.31125
    2     1 S   H    _HN1     2     1.02786    93.02748   -87.37856
    3     1 S   H    _H1_     3     1.02947    69.29831    21.09807
    4     1 S   H    _H2_     4     1.02830    47.86055   161.11643
    5     1 S   CT   _CA1     5     1.50088   152.49338   115.81314
    6     5 S   HC   _HA1     6     1.09585   105.19448    93.54820
    7     5 S   CO3  _C1_     7     1.53767   112.42576   -26.56731
    8     7 S   O2Z  _O11     8     1.26353   115.02556   -45.44877
    9     7 S   O2Z  _O12     9     1.26240   114.91791   133.66801
   10     5 S   CT   _CB1    10     1.53100   107.41759  -148.65727
   11    10 S   HC   HB11    11     1.09824   109.24576   -51.49297
   12    10 S   HC   HB12    12     1.09806   110.56301    65.12333
   13    10 S   CT   _CG1    13     1.52921   112.48494  -172.53865
   14    13 S   HC   HG11    14     1.09513   110.44433   -66.89751
   15    13 S   HC   HG12    15     1.09644   109.73594    52.35076
   16    13 S   C    _CD1    16     1.51720   112.51790   172.63409
   17    16 S   O    _OE1    17     1.22718   123.32061     3.54884
   18    16 S   N    _N2_    18     1.38676   111.57468  -175.99386
   19    18 S   H    _HN2    19     1.01573   118.99570     0.65012
   20    18 S   CT1  _CA2    20     1.46193   123.38013   176.16702
   21    20 S   HC   _HA2    21     1.09719   109.35500     4.73880
   22    20 S   C    _C2_    22     1.53649   108.86363  -110.94046
   23    22 S   O    _O2_    23     1.23074   122.20028  -151.35899
   24    20 S   CT   _CB2    32     1.53339   111.57409   126.88026
   25    24 S   HC   HB21    33     1.09451   109.43234    57.15918
   26    24 S   HC   HB22    34     1.09449   109.91907   175.95484
   27    22 S   N    _N3_    24     1.38255   113.93063    35.77447
   28    27 S   H    _HN3    25     1.01557   119.56943    -2.95280
   29    24 S   S    _SG2    35     1.82883   111.49992   -63.81739
   30    27 S   CT   _CA3    26     1.45263   123.29006   178.12330
   31    30 S   HC   HA31    27     1.09539   107.45049   -67.47881
   32    30 S   HC   HA32    28     1.09560   108.09155    49.04211
   33    29 S   CT   _C13    36     1.87841   100.37046  -176.80794
   34    30 S   CO3  _C3_    29     1.52960   113.98320   171.03704
   35    34 S   O2Z  _O31    30     1.26383   116.05424    -0.61676
   36    34 S   O2Z  _O32    31     1.26422   114.41901   179.44539
   37    33 S   CM   _C7_    37     1.51701   107.27449   174.42515
   38    33 S   OS   _O23    80     1.42790   108.76692    53.42334
   39    37 S   CMA  _C6_    38     1.35607   123.63675    95.64041
   40    39 S   OM   _O20    39     1.26337   129.01898   172.05779
   41    37 S   OS   _O22    75     1.39548   115.80434   -94.43561
   42    38 S   CT   _C19    81     1.42269   116.44315  -173.74906
   43    42 S   HC   _H42    82     1.09383   107.72977  -170.96795
   44    42 S   HC   _H43    83     1.09231   111.20538    71.36507
   45    42 S   HC   _H44    84     1.09298   112.21444   -52.15881
   46    39 S   CM   _C4_    40     1.49191   118.54224    -7.65909
   47    41 S   CT   _C18    76     1.42412   111.90673    90.06554
   48    47 S   HC   _H39    77     1.09411   107.81183   164.26602
   49    47 S   HC   _H40    78     1.09551   112.11447    45.50644
   50    47 S   HC   _H41    79     1.09363   110.46757   -78.28896
   51    46 S   CM   _C5_    41     1.35456   121.62448    20.68812
   52    46 S   CT   _C14    71     1.52379   117.99981  -158.32616
   53    52 S   HC   _H27    72     1.09560   110.77706   -73.77526
   54    52 S   HC   _H28    73     1.09293   113.39740   165.54772
   55    52 S   HC   _H29    74     1.09659   110.81499    47.41845
   56    33 S   CO4  _C8_    42     1.53863   105.12350   -68.32556
   57    56 S   O    _O21    43     1.23204   121.94088    94.73596
   58    51 S   CT   _C20    44     1.51365   126.40381   175.54473
   59    58 S   HC   _H45    45     1.09641   110.33517  -148.45500
   60    58 S   HC   _H46    46     1.09414   109.30984   -33.73908
   61    58 S   CM   _C9_    47     1.50581   111.77040    91.00158
   62    61 S   HC   _H25    48     1.08977   115.35911    36.37031
   63    61 S   CM   _C11    49     1.34758   127.14648  -144.45931
   64    63 S   CT   _C15    50     1.50397   124.67214    -1.48359
   65    64 S   HC   _H30    51     1.09478   110.05378   111.55179
   66    64 S   HC   _H31    52     1.09230   113.39038    -9.51440
   67    64 S   HC   _H32    53     1.09489   110.38785  -128.99684
   68    63 S   CT   _C22    54     1.51697   120.29163   178.04155
   69    68 S   HC   _H49    55     1.09789   108.35160  -142.44624
   70    68 S   HC   _H50    56     1.09734   110.26860   -27.73524
   71    68 S   CT   _C21    57     1.53398   113.51691    96.39467
   72    71 S   HC   _H47    58     1.09434   111.31110    46.03659
   73    71 S   HC   _H48    59     1.09782   108.35487   161.33285
   74    71 S   CM   _C10    60     1.50472   112.52233   -80.68227
   75    74 S   HC   _H26    61     1.08899   113.84233   -77.90521
   76    74 S   CM   _C12    62     1.34627   128.10321   102.99540
   77    76 S   CT   _C16    63     1.50552   120.40988   179.06875
   78    77 S   HC   _H33    64     1.09490   110.26162   117.11388
   79    77 S   HC   _H34    65     1.09470   112.29180    -3.12988
   80    77 S   HC   _H35    66     1.09489   110.29546  -122.96419
   81    76 S   CT   _C17    67     1.50218   125.10726    -1.68540
   82    81 S   HC   _H36    68     1.09494   110.08676   118.54377
   83    81 S   HC   _H37    69     1.09535   110.00996  -122.14086
   84    81 S   HC   _H38    70     1.09203   113.53904    -2.10301
  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   9   5   4   3
  15   2   1   1  14   9  11   4   6   4   2   1   1  11   3   2
   1   1  12   5   2   1   1   5   1   7   4   3  10   3  11   7
   3   2   1   8   5   4   7   4   3  10   3   8   7   3   2   1
   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    56    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    39    51    56    57    41    38    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    39    40    46    51    56    57    58    41    47    38    42    43    44    45  
   35    36  
   36  
    0  
   39    40    46    51    56    57    52    41    47    48    49    50    38    42  
   42    43    44    45    39    41    51    56    57  
   40    46    51    56    58    52    53    54    55    41    47  
   46    51    52    41  
   47    48    49    50    46    56  
   43    44    45    56  
   44    45  
   45  
    0  
   51    56    57    58    59    60    61    52    53    54    55  
   48    49    50  
   49    50  
   50  
    0  
   56    57    58    59    60    61    62    63    52    53    54    55  
   53    54    55    56    58  
   54    55  
   55  
    0  
   57    58    59    60    61  
   58  
   59    60    61    62    63    64    68  
   60    61    62    63  
   61    62    63  
   62    63    64    65    66    67    68    69    70    71  
   63    64    68  
   64    65    66    67    68    69    70    71    72    73    74  
   65    66    67    68    69    70    71  
   66    67    68  
   67    68  
   68  
   69    70    71    72    73    74    75    76  
   70    71    72    73    74  
   71    72    73    74  
   72    73    74    75    76    77    81  
   73    74    75    76  
   74    75    76  
   75    76    77    78    79    80    81    82    83    84  
   76    77    81  
   77    78    79    80    81    82    83    84  
   78    79    80    81    82    83    84  
   79    80    81  
   80    81  
   81  
   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  -0.316400   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   0.465900   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5500   0.0760  -0.585200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   39   3.5500   0.0760   0.976300   2.0020   1.7750   0.023028004  -0.852763146
   40   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   41   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   42   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   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   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   47   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   52   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   57   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   58   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   64   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   72   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   73   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   74   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   75   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   76   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   78   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   79   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   80   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   81   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   82   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   83   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   84   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   317.000  1.510
   33    56   317.000  1.522
   33    38   320.000  1.410
   37    39   465.000  1.376
   37    41   440.000  1.360
   39    40   745.000  1.250
   39    46   465.000  1.376
   46    51   549.000  1.340
   46    52   317.000  1.510
   51    56   320.000  1.462
   51    58   317.000  1.510
   56    57   570.000  1.229
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   317.000  1.510
   61    62   340.000  1.080
   61    63   549.000  1.340
   63    64   317.000  1.510
   63    68   317.000  1.510
   64    65   340.000  1.090
   64    66   340.000  1.090
   64    67   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   268.000  1.529
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   317.000  1.510
   74    75   340.000  1.080
   74    76   549.000  1.340
   76    77   317.000  1.510
   76    81   317.000  1.510
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   81    82   340.000  1.090
   81    83   340.000  1.090
   81    84   340.000  1.090
   52    53   340.000  1.090
   52    54   340.000  1.090
   52    55   340.000  1.090
   41    47   320.000  1.410
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   340.000  1.090
   38    42   320.000  1.410
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  112.20000
   29    33    56    75.00000  110.18000
   29    33    38    85.00000  114.68000
   33    37    39    70.00000  124.00000
   33    37    41    85.00000  112.85300
   33    56    51    65.00000  118.62400
   33    56    57    80.00000  120.40000
   33    38    42    60.00000  109.50000
   37    39    40    65.00000  137.10300
   37    39    46    70.00000  123.01800
   37    41    47    90.00000  111.18400
   39    46    51    70.00000  117.34000
   39    46    52    70.00000  124.00000
   46    39    40    65.00000  137.10300
   46    51    56    65.00000  118.96000
   46    51    58    70.00000  124.00000
   46    52    53    35.00000  109.50000
   46    52    54    35.00000  109.50000
   46    52    55    35.00000  109.50000
   51    56    57    80.00000  123.72100
   51    58    59    35.00000  109.50000
   51    58    60    35.00000  109.50000
   51    58    61    70.00000  110.12100
   56    33    37    70.00000  109.06800
   58    51    56    65.00000  116.34900
   58    61    62    35.00000  117.00000
   58    61    63    70.00000  124.00000
   60    58    59    33.00000  107.80000
   61    58    59    35.00000  109.50000
   61    58    60    35.00000  109.50000
   61    63    64    70.00000  124.00000
   61    63    68    70.00000  124.00000
   63    61    62    35.00000  120.00000
   63    64    65    35.00000  109.50000
   63    64    66    35.00000  109.50000
   63    64    67    35.00000  109.50000
   63    68    69    35.00000  109.50000
   63    68    70    35.00000  109.50000
   63    68    71    70.00000  112.02700
   66    64    65    33.00000  107.80000
   67    64    65    33.00000  107.80000
   67    64    66    33.00000  107.80000
   68    63    64    65.00000  117.92700
   68    71    72    37.50000  110.70000
   68    71    73    37.50000  110.70000
   68    71    74    70.00000  112.02700
   70    68    69    33.00000  107.80000
   71    68    69    37.50000  110.70000
   71    68    70    37.50000  110.70000
   71    74    75    35.00000  117.00000
   71    74    76    70.00000  124.00000
   73    71    72    33.00000  107.80000
   74    71    72    35.00000  109.50000
   74    71    73    35.00000  109.50000
   74    76    77    70.00000  124.00000
   74    76    81    70.00000  124.00000
   76    74    75    35.00000  120.00000
   76    77    78    35.00000  109.50000
   76    77    79    35.00000  109.50000
   76    77    80    35.00000  109.50000
   76    81    82    35.00000  109.50000
   76    81    83    35.00000  109.50000
   76    81    84    35.00000  109.50000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   81    76    77    65.00000  117.92700
   83    81    82    33.00000  107.80000
   84    81    82    33.00000  107.80000
   84    81    83    33.00000  107.80000
   52    46    51    70.00000  124.00000
   54    52    53    33.00000  107.80000
   55    52    53    33.00000  107.80000
   55    52    54    33.00000  107.80000
   41    37    39    80.00000  120.01400
   41    47    48    35.00000  109.50000
   41    47    49    35.00000  109.50000
   41    47    50    35.00000  109.50000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    33.00000  107.80000
   38    33    37    85.00000  110.90400
   38    33    56    90.00000  108.74100
   38    42    43    35.00000  109.50000
   38    42    44    35.00000  109.50000
   38    42    45    35.00000  109.50000
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    56   0.01700  1.0 1.0
   24    29    33    56  -0.23550 -1.0 2.0
   24    29    33    56   0.21350  1.0 3.0
   24    29    33    38   0.13850  1.0 1.0
   24    29    33    38  -1.34450 -1.0 2.0
   24    29    33    38   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    39   0.42700  1.0 1.0
   29    33    37    39  -0.70350 -1.0 2.0
   29    33    37    39  -0.43150  1.0 3.0
   29    33    37    41   0.09700  1.0 1.0
   29    33    37    41   0.15600 -1.0 2.0
   29    33    37    41  -0.50800  1.0 3.0
   29    33    56    51   0.65300  1.0 1.0
   29    33    56    51  -0.03850 -1.0 2.0
   29    33    56    51   0.33900  1.0 3.0
   29    33    56    57   0.30150 -1.0 2.0
   29    33    38    42   0.14700  1.0 1.0
   29    33    38    42  -1.16150 -1.0 2.0
   29    33    38    42   0.48700  1.0 3.0
   33    37    39    40   7.00000 -1.0 2.0
   33    37    39    46   7.00000 -1.0 2.0
   33    37    41    47   2.00000 -1.0 2.0
   33    38    42    43   0.37050  1.0 3.0
   33    38    42    44   0.37050  1.0 3.0
   33    38    42    45   0.37050  1.0 3.0
   37    33    56    51   0.65300  1.0 1.0
   37    33    56    51  -0.03850 -1.0 2.0
   37    33    56    51   0.33900  1.0 3.0
   37    33    56    57   0.30150 -1.0 2.0
   37    33    38    42  -0.77900  1.0 1.0
   37    33    38    42  -0.36900 -1.0 2.0
   37    33    38    42   0.40400  1.0 3.0
   37    39   -46    51   7.00000 -1.0 2.0
   37    39    46    52   7.00000 -1.0 2.0
   37    41    47    48   0.08050  1.0 3.0
   37    41    47    49   0.08050  1.0 3.0
   37    41    47    50   0.08050  1.0 3.0
   39    37    41    47  -2.26850  1.0 1.0
   39    37    41    47   3.39050 -1.0 2.0
   39    46    51    56   7.00000 -1.0 2.0
   39    46    51    58   7.00000 -1.0 2.0
   39    46    52    53   0.00000  1.0 1.0
   39    46    52    54   0.00000  1.0 1.0
   39    46    52    55   0.00000  1.0 1.0
   40    39    46    51   7.00000 -1.0 2.0
   40    39    46    52   7.00000 -1.0 2.0
   46    51   -56    33  -0.33500  1.0 1.0
   46    51   -56    33   1.06600 -1.0 2.0
   46    51   -56    33  -0.14000  1.0 3.0
   46    51    56    57   1.00000 -1.0 2.0
   46    51    58    59   0.00000  1.0 1.0
   46    51    58    60   0.00000  1.0 1.0
   46    51    58    61  -0.28300  1.0 1.0
   46    51    58    61   0.26700 -1.0 2.0
   46    51    58    61  -0.63300  1.0 3.0
   51    46    52    53   0.00000  1.0 1.0
   51    46    52    54   0.00000  1.0 1.0
   51    46    52    55   0.00000  1.0 1.0
   51    58    61    62   0.00000  1.0 1.0
   51    58    61    63  -0.28300  1.0 1.0
   51    58    61    63   0.26700 -1.0 2.0
   51    58    61    63  -0.63300  1.0 3.0
   56    33   -37    39  -0.51250  1.0 1.0
   56    33   -37    39  -0.88800 -1.0 2.0
   56    33   -37    39   0.08850  1.0 3.0
   56    33    37    41   0.09700  1.0 1.0
   56    33    37    41   0.15600 -1.0 2.0
   56    33    37    41  -0.50800  1.0 3.0
   56    33    38    42  -1.11000  1.0 1.0
   56    33    38    42   0.50250 -1.0 2.0
   56    33    38    42   0.47450  1.0 3.0
   56    51    58    59   0.15000  1.0 3.0
   56    51    58    60   0.15000  1.0 3.0
   56    51    58    61   0.09700  1.0 1.0
   56    51    58    61   0.15600 -1.0 2.0
   56    51    58    61  -0.50800  1.0 3.0
   58    51    56    33   0.25700  1.0 1.0
   58    51    56    33   0.66200 -1.0 2.0
   58    51    56    33   0.04450  1.0 3.0
   58    51    56    57  -0.64400  1.0 1.0
   58    51    56    57   0.26850 -1.0 2.0
   58    61    63    64   7.00000 -1.0 2.0
   58    61    63    68   7.00000 -1.0 2.0
   59    58    61    62   0.33100  1.0 3.0
   59    58    61    63   0.00000  1.0 1.0
   60    58    61    62   0.33100  1.0 3.0
   60    58    61    63   0.00000  1.0 1.0
   61    63    64    65   0.00000  1.0 1.0
   61    63    64    66   0.00000  1.0 1.0
   61    63    64    67   0.00000  1.0 1.0
   61    63    68    69   0.00000  1.0 1.0
   61    63    68    70   0.00000  1.0 1.0
   61    63    68    71   0.09850  1.0 1.0
   61    63    68    71   0.15250 -1.0 2.0
   61    63    68    71  -0.50650  1.0 3.0
   62    61    63    64   7.00000 -1.0 2.0
   62    61    63    68   7.00000 -1.0 2.0
   63    68    71    72   0.15000  1.0 3.0
   63    68    71    73   0.15000  1.0 3.0
   63    68    71    74   0.31000  1.0 1.0
   63    68    71    74   0.14700 -1.0 2.0
   63    68    71    74   0.07550  1.0 3.0
   64    63    68    69   0.34800  1.0 3.0
   64    63    68    70   0.34800  1.0 3.0
   64    63    68    71   0.46850  1.0 1.0
   64    63    68    71   0.08550 -1.0 2.0
   64    63    68    71   0.09800  1.0 3.0
   68    63    64    65   0.34800  1.0 3.0
   68    63    64    66   0.34800  1.0 3.0
   68    63    64    67   0.34800  1.0 3.0
   68    71    74    75   0.00000  1.0 1.0
   68    71    74    76   0.09850  1.0 1.0
   68    71    74    76   0.15250 -1.0 2.0
   68    71    74    76  -0.50650  1.0 3.0
   69    68    71    72   0.15000  1.0 3.0
   69    68    71    73   0.15000  1.0 3.0
   69    68    71    74   0.15000  1.0 3.0
   70    68    71    72   0.15000  1.0 3.0
   70    68    71    73   0.15000  1.0 3.0
   70    68    71    74   0.15000  1.0 3.0
   71    74    76    77   7.00000 -1.0 2.0
   71    74    76    81   7.00000 -1.0 2.0
   72    71    74    75   0.33100  1.0 3.0
   72    71    74    76   0.00000  1.0 1.0
   73    71    74    75   0.33100  1.0 3.0
   73    71    74    76   0.00000  1.0 1.0
   74    76    77    78   0.00000  1.0 1.0
   74    76    77    79   0.00000  1.0 1.0
   74    76    77    80   0.00000  1.0 1.0
   74    76    81    82   0.00000  1.0 1.0
   74    76    81    83   0.00000  1.0 1.0
   74    76    81    84   0.00000  1.0 1.0
   75    74    76    77   7.00000 -1.0 2.0
   75    74    76    81   7.00000 -1.0 2.0
   77    76    81    82   0.34800  1.0 3.0
   77    76    81    83   0.34800  1.0 3.0
   77    76    81    84   0.34800  1.0 3.0
   81    76    77    78   0.34800  1.0 3.0
   81    76    77    79   0.34800  1.0 3.0
   81    76    77    80   0.34800  1.0 3.0
   52    46    51    56   7.00000 -1.0 2.0
   52    46    51    58   7.00000 -1.0 2.0
   41    37    39    40   7.00000 -1.0 2.0
   41    37    39    46   7.00000 -1.0 2.0
   38    33    37    39   0.39000  1.0 1.0
   38    33    37    39  -0.05800 -1.0 2.0
   38    33    37    39  -0.55150  1.0 3.0
   38    33    37    41   0.09700  1.0 1.0
   38    33    37    41   0.15600 -1.0 2.0
   38    33    37    41  -0.50800  1.0 3.0
   38    33    56    51   0.65300  1.0 1.0
   38    33    56    51  -0.03850 -1.0 2.0
   38    33    56    51   0.33900  1.0 3.0
   38    33    56    57   0.30150 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   33    41    37    39   1.10000 -1.0 2.0
   46    40    39    37   1.10000 -1.0 2.0
   39    52    46    51   1.10000 -1.0 2.0
   56    58    51    46   1.10000 -1.0 2.0
   33    51    56    57  10.50000 -1.0 2.0
   58    62    61    63  15.00000 -1.0 2.0
   64    68    63    61  15.00000 -1.0 2.0
   71    75    74    76  15.00000 -1.0 2.0
   77    81    76    74  15.00000 -1.0 2.0
END
