* LIGAND DATABASE FILE (OPLS2005)
*
001      77    80    148    236     424
    1     0 S   NP   _N1_     1    29.61228    98.57157   -15.94679
    2     1 S   H    _HN1     2     1.02776    63.23217  -102.63887
    3     1 S   H    _H1_     3     1.02958    74.47400    17.79079
    4     1 S   H    _H2_     4     1.02836    69.13983   133.26345
    5     1 S   CT   _CA1     5     1.50173   174.62484  -137.13557
    6     5 S   HC   _HA1     6     1.09561   105.19300   -28.37119
    7     5 S   CO3  _C1_     7     1.53947   112.40576  -148.54758
    8     7 S   O2Z  _O11     8     1.26389   114.88316   -38.63642
    9     7 S   O2Z  _O12     9     1.26287   115.18216   140.47900
   10     5 S   CT   _CB1    10     1.53179   107.38832    89.77296
   11    10 S   HC   HB11    11     1.09807   109.69681   -47.10861
   12    10 S   HC   HB12    12     1.09807   110.34379    69.69370
   13    10 S   CT   _CG1    13     1.52859   112.37372  -168.04315
   14    13 S   HC   HG11    14     1.09575   110.25605   -60.54014
   15    13 S   HC   HG12    15     1.09650   109.99000    58.35323
   16    13 S   C    _CD1    16     1.51924   112.71617   178.83635
   17    16 S   O    _OE1    17     1.22676   123.50262    -6.74390
   18    16 S   N    _N2_    18     1.38406   111.14715   173.08579
   19    18 S   H    _HN2    19     1.01599   118.55049     6.75180
   20    18 S   CT1  _CA2    20     1.45686   124.17200  -178.83769
   21    20 S   HC   _HA2    21     1.09678   109.49048     7.37552
   22    20 S   C    _C2_    22     1.52858   106.52050  -109.50599
   23    22 S   O    _O2_    23     1.22961   122.90571   -26.78097
   24    20 S   CT   _CB2    32     1.53411   111.28802   131.18862
   25    24 S   HC   HB21    33     1.09373   110.12680    42.92487
   26    24 S   HC   HB22    34     1.09535   110.56892   160.91559
   27    22 S   N    _N3_    24     1.38618   112.41571   155.97576
   28    27 S   H    _HN3    25     1.01504   119.71589     1.40500
   29    24 S   S    _SG2    35     1.83159   111.59291   -81.11983
   30    27 S   CT   _CA3    26     1.45442   122.71929   175.85783
   31    30 S   HC   HA31    27     1.09549   108.78899    32.80126
   32    30 S   HC   HA32    28     1.09478   107.17978   149.87928
   33    29 S   CT   _C8_    36     1.88394   102.07961   122.98242
   34    30 S   CO3  _C3_    29     1.53066   113.83287   -90.08153
   35    34 S   O2Z  _O31    30     1.26355   115.92292   -28.66737
   36    34 S   O2Z  _O32    31     1.26432   114.60111   152.19886
   37    33 S   CM   _C7_    37     1.53317   107.02338   177.41760
   38    33 S   CT   _C10    60     1.56647   111.70224   -71.36406
   39    38 S   HC   _H5_    61     1.09418   110.28103    35.84534
   40    37 S   CMA  _C6_    38     1.35977   125.63636   -91.85153
   41    40 S   OM   _O37    39     1.26584   129.45442   175.07904
   42    37 S   NE   _N5_    51     1.39439   106.60192    91.41020
   43    38 S   CT   _C16    62     1.53464   114.74675   154.50404
   44    43 S   HC   _H14    63     1.09392   112.31906    60.79530
   45    43 S   HC   _H15    64     1.09270   110.67462   -60.61078
   46    40 S   CT   _C5_    40     1.54087   120.67190    -5.13671
   47    46 S   HC   _H4_    41     1.10097   109.35858   124.44009
   48    42 S   CT   _C12    52     1.46279   129.23462   161.67278
   49    48 S   HC   _H8_    53     1.09421   110.28621    97.80444
   50    48 S   HC   _H9_    54     1.09409   112.91758   -25.02347
   51    43 S   OS   _O35    65     1.44086   107.79930  -176.37539
   52    46 S   CD   _C4_    42     1.50985   114.02477     5.99790
   53    46 S   CT   _C18    47     1.54218   112.73819  -114.62440
   54    53 S   HC   _H18    48     1.09658   111.17762    56.75182
   55    53 S   HC   _H19    49     1.09519   111.77752   -64.15346
   56    53 S   HC   _H20    50     1.09617   111.11993   176.22509
   57    48 S   C3T  _C13    55     1.50413   103.88206  -143.27510
   58    57 S   HC   _H6_    56     1.07760   116.54928  -142.79146
   59    51 S   CO4  _C17    66     1.35887   116.80666  -174.61009
   60    59 S   O    _O36    67     1.22488   125.51344    -0.83157
   61    33 S   CO4  _C9_    43     1.51109   106.03381    59.82465
   62    61 S   O    _O33    44     1.22143   127.04183   -99.94081
   63    52 S   NI   _N4_    45     1.29362   122.47027   154.28525
   64    63 S   H    _H3_    46     1.02691   110.07868   179.04879
   65    57 S   C3T  _C14    57     1.49995   109.59186    -1.22525
   66    65 S   HC   _H7_    58     1.07891   120.24719  -142.99761
   67    59 S   N    _N7_    68     1.36853   109.96589   179.19158
   68    67 S   H    _H16    69     1.01268   121.32824  -179.78150
   69    67 S   H    _H17    70     1.01728   120.84600    -0.39958
   70    42 S   CO   _C11    59     1.47190   114.06114     6.94955
   71    57 S   NTH  _N6_    76     1.44665   119.41244    64.18769
   72    71 S   H    _H10    77     1.01802   109.94979     7.89551
   73    70 S   OS   _O34    71     1.44157   113.54698   -98.69299
   74    73 S   CT   _C15    72     1.41855   117.15010   -49.82607
   75    74 S   HC   _H11    73     1.09377   107.82886  -178.34153
   76    74 S   HC   _H12    74     1.09315   111.06727    63.81263
   77    74 S   HC   _H13    75     1.09281   111.49380   -60.16138
  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  11   5   4   3
  19   2   1   1  19  19   9  13   5  14  10   4   3  10   7  10
   6   5   6   8   5   2   1   1   7   5   4   3   4   1   1   1
   6   4   2   1   1   7   2   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    61    38    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    40    52    61    62    42    70    38    39    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    40    41    46    52    61    62    63    42    48    65    70    38    39    43    44    45    51    73  
   35    36  
   36  
    0  
   40    41    46    47    52    61    62    53    42    48    49    50    57    65    70    38    39    43    73  
   39    43    44    45    51    59    73    74    71    40    42    48    52    57    61    62    65    66    70  
   43    44    45    51    73    42    61    65    70  
   41    46    47    52    61    63    53    54    55    56    42    48    70  
   46    47    52    53    42  
   48    49    50    57    58    65    66    70    43    73    74    71    46    61  
   44    45    51    59    60    67    73    61    65    70  
   45    51    59    70  
   51    59    70  
   47    52    61    62    63    64    53    54    55    56  
   52    61    63    53    54    55    56  
   49    50    57    58    65    66    70    73    71    72  
   50    57    58    65    70    71  
   57    58    65    70    71  
   59    60    67    68    69    70  
   61    62    63    64    53    54    55    56  
   54    55    56    61    63  
   55    56  
   56  
    0  
   58    65    66    70    73    71    72  
   65    66    70    71    72  
   60    67    68    69  
   67    68    69  
   62    63    64    70  
   63  
   64  
    0  
   66    70    73    74    71    72  
   70    73    71    72  
   68    69  
   69  
    0  
   73    74    75    76    77    71    72  
   72    73  
    0  
   74    75    76    77  
   75    76    77  
   76    77  
   77  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.167500   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  -0.583200   2.0020   1.7750   0.023028004  -0.852763146
   38   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.375100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7825   1.5750   0.001000000  -0.126889456
   42   3.2500   0.1700  -0.375800   1.9050   1.6860   0.051222218  -2.220205820
   43   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660  -0.023900   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660   0.115300   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   52   3.7500   0.1050   0.353600   2.0020   1.7750   0.023028004  -0.852763146
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.7500   0.1050   0.632500   1.9250   1.7000   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.497000   1.8100   1.6000   0.001000000  -1.480495490
   61   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   62   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   63   3.2800   0.1700  -0.672400   1.8540   1.6400   0.005000000   0.000000000
   64   0.5000   0.0300   0.282700   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   3.2500   0.1700  -0.883900   1.8100   1.6000   0.054801302  -1.445846770
   68   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   69   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   70   3.5000   0.0660   0.322500   1.9750   1.7500   0.005000000  -0.741685710
   71   3.3000   0.1700  -0.625000   2.1120   1.8750   0.051222218  -2.220205820
   72   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   73   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   74   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   75   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.030000   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    61   317.000  1.522
   33    38   268.000  1.529
   37    40   465.000  1.376
   37    42   425.000  1.378
   40    41   745.000  1.250
   40    46   270.000  1.512
   46    47   340.000  1.090
   46    52   270.000  1.508
   46    53   268.000  1.529
   52    61   275.000  1.494
   52    63   500.000  1.261
   61    62   570.000  1.229
   63    64   434.000  1.010
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   340.000  1.090
   42    48   382.000  1.448
   42    70   320.000  1.442
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    57   275.000  1.510
   57    58   340.000  1.088
   57    65   260.000  1.509
   57    71   315.000  1.448
   65    66   340.000  1.088
   65    70   275.000  1.510
   65    71   315.000  1.448
   70    38   250.000  1.527
   70    73   320.000  1.380
   38    39   340.000  1.090
   38    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    51   320.000  1.410
   51    59   214.000  1.327
   59    60   570.000  1.229
   59    67   435.000  1.380
   67    68   434.000  1.010
   67    69   434.000  1.010
   73    74   320.000  1.410
   74    75   340.000  1.090
   74    76   340.000  1.090
   74    77   340.000  1.090
   71    72   500.000  1.015
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    61    75.00000  110.18000
   29    33    38    75.00000  111.63000
   33    37    40    70.00000  124.00000
   33    37    42    75.00000  116.24600
   33    61    52    60.00000  115.38000
   33    61    62    80.00000  120.40000
   33    38    70    75.00000  109.43000
   33    38    39    37.50000  110.70000
   33    38    43    58.35000  112.70000
   37    40    41    65.00000  137.10300
   37    40    46    65.00000  122.18000
   37    42    48    50.00000  121.00000
   37    42    70    50.00000  121.00000
   40    46    47    45.00000  110.52000
   40    46    52    70.00000  110.51600
   40    46    53    70.00000  112.02700
   46    40    41    85.00000  112.85300
   46    52    61    60.00000  116.68000
   46    52    63    65.00000  122.10100
   46    53    54    37.50000  110.70000
   46    53    55    37.50000  110.70000
   46    53    56    37.50000  110.70000
   52    46    47    45.00000  109.49600
   52    61    62    75.00000  122.07900
   52    63    64    35.00000  113.00000
   61    33    37    70.00000  109.06800
   63    52    61    60.00000  126.98800
   53    46    47    37.50000  110.70000
   53    46    52    70.00000  111.76100
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    33.00000  107.80000
   42    37    40    70.00000  124.03900
   42    48    49    35.00000  109.50000
   42    48    50    35.00000  109.50000
   42    48    57    80.00000  111.61500
   42    70    65    85.00000  109.98000
   42    70    38    85.00000  109.98000
   42    70    73    95.00000  112.71300
   48    57    58    40.00000  115.04500
   48    57    65    60.00000  120.94000
   48    57    71    80.00000  111.29100
   50    48    49    33.00000  107.80000
   57    48    49    45.00000  109.38400
   57    48    50    45.00000  109.38400
   57    65    66    37.50000  117.20000
   57    65    70    60.00000  120.94000
   57    65    71    30.00000   60.00000
   57    71    65    10.00000   60.00000
   57    71    72    50.00000  109.23200
   65    57    58    37.50000  117.20000
   65    70    38    65.00000  112.71400
   65    70    73    90.00000  108.56700
   65    71    72    50.00000  109.23200
   70    42    48    50.00000  115.00000
   70    65    66    40.00000  115.04500
   70    38    39    45.00000  108.72000
   70    38    43    75.00000  109.43000
   70    73    74    60.00000  109.50000
   38    33    37    70.00000  112.02700
   38    33    61    63.00000  111.10000
   38    43    44    37.50000  110.70000
   38    43    45    37.50000  110.70000
   38    43    51    50.00000  109.50000
   43    38    39    37.50000  110.70000
   43    51    59    83.00000  116.90000
   45    43    44    33.00000  107.80000
   51    43    44    35.00000  109.50000
   51    43    45    35.00000  109.50000
   51    59    60    83.00000  123.40000
   51    59    67   110.00000  108.75700
   59    67    68    50.00000  116.34900
   59    67    69    50.00000  116.34900
   67    59    60    85.00000  125.96000
   69    67    68    35.00000  120.00000
   73    70    38    90.00000  108.56700
   73    74    75    35.00000  109.50000
   73    74    76    35.00000  109.50000
   73    74    77    35.00000  109.50000
   76    74    75    33.00000  107.80000
   77    74    75    33.00000  107.80000
   77    74    76    33.00000  107.80000
   71    57    58    50.00000  110.59500
   71    57    65    30.00000   60.00000
   71    65    66    50.00000  110.59500
   71    65    70    80.00000  104.84000
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    61   0.01700  1.0 1.0
   24    29    33    61  -0.23550 -1.0 2.0
   24    29    33    61   0.21350  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
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    37    42   0.09700  1.0 1.0
   29    33    37    42   0.15600 -1.0 2.0
   29    33    37    42  -0.50800  1.0 3.0
   29    33    61    52   0.65300  1.0 1.0
   29    33    61    52  -0.03850 -1.0 2.0
   29    33    61    52   0.33900  1.0 3.0
   29    33    61    62   0.30150 -1.0 2.0
   29    33    38    70   0.44750  1.0 1.0
   29    33    38    70  -0.17800 -1.0 2.0
   29    33    38    70   0.20200  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    43   0.44750  1.0 1.0
   29    33    38    43  -0.17800 -1.0 2.0
   29    33    38    43   0.20200  1.0 3.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37    40    46   7.00000 -1.0 2.0
   33    37    42    48   1.00000 -1.0 2.0
   33    37   -42    70   1.00000 -1.0 2.0
   33    38    43    44   0.15000  1.0 3.0
   33    38    43    45   0.15000  1.0 3.0
   33    38    43    51   0.62750  1.0 1.0
   33    38    43    51  -0.30950 -1.0 2.0
   33    38    43    51   0.27300  1.0 3.0
   37    33    61    52   0.65300  1.0 1.0
   37    33    61    52  -0.03850 -1.0 2.0
   37    33    61    52   0.33900  1.0 3.0
   37    33    61    62   0.30150 -1.0 2.0
   37    33   -38    70   0.34400  1.0 1.0
   37    33   -38    70   0.09450 -1.0 2.0
   37    33   -38    70   0.11100  1.0 3.0
   37    33    38    39   0.15000  1.0 3.0
   37    33    38    43   0.34400  1.0 1.0
   37    33    38    43   0.09450 -1.0 2.0
   37    33    38    43   0.11100  1.0 3.0
   37    40    46    47   0.00000  1.0 1.0
   37    40   -46    52  -0.28300  1.0 1.0
   37    40   -46    52   0.26700 -1.0 2.0
   37    40   -46    52  -0.63300  1.0 3.0
   37    40    46    53   0.09850  1.0 1.0
   37    40    46    53   0.15250 -1.0 2.0
   37    40    46    53  -0.50650  1.0 3.0
   37    42    48    49   0.00000  1.0 1.0
   37    42    48    50   0.00000  1.0 1.0
   37    42    48    57   0.25450  1.0 1.0
   37    42    48    57  -0.61700 -1.0 2.0
   37    42    48    57  -0.23550  1.0 3.0
   37    42    70    65   0.25450  1.0 1.0
   37    42    70    65  -0.61700 -1.0 2.0
   37    42    70    65  -0.23550  1.0 3.0
   37    42   -70    38   0.25450  1.0 1.0
   37    42   -70    38  -0.61700 -1.0 2.0
   37    42   -70    38  -0.23550  1.0 3.0
   37    42    70    73   0.75000  1.0 1.0
   37    42    70    73  -0.75000 -1.0 2.0
   40    37    42    48  -0.54700  1.0 1.0
   40    37    42    48   1.23000 -1.0 2.0
   40    37    42    70  -0.54700  1.0 1.0
   40    37    42    70   1.23000 -1.0 2.0
   40    46    52    61   0.00000  1.0 1.0
   40    46    52    63   0.00000  1.0 1.0
   40    46    53    54   0.15000  1.0 3.0
   40    46    53    55   0.15000  1.0 3.0
   40    46    53    56   0.15000  1.0 3.0
   41    40    46    47   0.00000  1.0 1.0
   41    40    46    52   0.09700  1.0 1.0
   41    40    46    52   0.15600 -1.0 2.0
   41    40    46    52  -0.50800  1.0 3.0
   41    40    46    53   0.09700  1.0 1.0
   41    40    46    53   0.15600 -1.0 2.0
   41    40    46    53  -0.50800  1.0 3.0
   46    52   -61    33   0.25700  1.0 1.0
   46    52   -61    33   0.66200 -1.0 2.0
   46    52   -61    33   0.04450  1.0 3.0
   46    52    61    62   1.00000 -1.0 2.0
   46    52    63    64   6.00000 -1.0 2.0
   47    46    52    61   0.00000  1.0 1.0
   47    46    52    63   0.00000  1.0 1.0
   47    46    53    54   0.15000  1.0 3.0
   47    46    53    55   0.15000  1.0 3.0
   47    46    53    56   0.15000  1.0 3.0
   52    46    53    54   0.15000  1.0 3.0
   52    46    53    55   0.15000  1.0 3.0
   52    46    53    56   0.15000  1.0 3.0
   61    33   -37    40  -0.51250  1.0 1.0
   61    33   -37    40  -0.88800 -1.0 2.0
   61    33   -37    40   0.08850  1.0 3.0
   61    33    37    42   0.09700  1.0 1.0
   61    33    37    42   0.15600 -1.0 2.0
   61    33    37    42  -0.50800  1.0 3.0
   61    33    38    70  -0.95700  1.0 1.0
   61    33    38    70  -0.18200 -1.0 2.0
   61    33    38    70   0.29450  1.0 3.0
   61    33    38    39  -0.11250  1.0 3.0
   61    33    38    43  -0.95700  1.0 1.0
   61    33    38    43  -0.18200 -1.0 2.0
   61    33    38    43   0.29450  1.0 3.0
   61    52    63    64   6.00000 -1.0 2.0
   63    52    61    33   1.50000 -1.0 2.0
   63    52    61    62   1.00000 -1.0 2.0
   53    46    52    61   0.00000  1.0 1.0
   53    46    52    63   0.00000  1.0 1.0
   42    37    40    41   7.00000 -1.0 2.0
   42    37    40    46   7.00000 -1.0 2.0
   42    48    57    58   0.22950  1.0 3.0
   42    48   -57    65   1.26750  1.0 1.0
   42    48   -57    65  -0.00950 -1.0 2.0
   42    48   -57    65   0.30600  1.0 3.0
   42    48    57    71   4.29400  1.0 1.0
   42    48    57    71   0.12050 -1.0 2.0
   42    70   -38    33   1.26750  1.0 1.0
   42    70   -38    33  -0.00950 -1.0 2.0
   42    70   -38    33   0.30600  1.0 3.0
   42    70    38    39   0.22950  1.0 3.0
   42    70    38    43   1.26750  1.0 1.0
   42    70    38    43  -0.00950 -1.0 2.0
   42    70    38    43   0.30600  1.0 3.0
   42    70    73    74  -0.25000  1.0 1.0
   42    70    73    74  -0.75000 -1.0 2.0
   42    70    73    74   0.50000  1.0 3.0
   48    42   -70    65   0.00000  1.0 1.0
   48    42    70    38   0.00000  1.0 1.0
   48    42    70    73   0.00000  1.0 1.0
   48    57    65    66   0.15000  1.0 3.0
   48    57   -65    70   3.97050  1.0 1.0
   48    57   -65    71   1.53400  1.0 1.0
   48    57   -65    71  -0.09950 -1.0 2.0
   48    57   -65    71   0.05700  1.0 3.0
   48    57   -71    65  -0.35450  1.0 1.0
   48    57   -71    65   0.44050 -1.0 2.0
   48    57   -71    65   0.77100  1.0 3.0
   48    57    71    72   0.03200  1.0 1.0
   48    57    71    72   0.33800 -1.0 2.0
   49    48    57    58   0.15000  1.0 3.0
   49    48    57    65   0.15000  1.0 3.0
   49    48    57    71   0.15000  1.0 3.0
   50    48    57    58   0.15000  1.0 3.0
   50    48    57    65   0.15000  1.0 3.0
   50    48    57    71   0.15000  1.0 3.0
   57    65   -70    42   1.26750  1.0 1.0
   57    65   -70    42  -0.00950 -1.0 2.0
   57    65   -70    42   0.30600  1.0 3.0
   57    65    70    38   0.07850  1.0 1.0
   57    65    70    38  -0.03950 -1.0 2.0
   57    65    70    38   0.67350  1.0 3.0
   57    65    70    73  -0.26800  1.0 1.0
   57    65    70    73   0.69150 -1.0 2.0
   57    65    70    73  -0.48750  1.0 3.0
   57    65   -71    72   0.03200  1.0 1.0
   57    65   -71    72   0.33800 -1.0 2.0
   58    57    65    66   0.15000  1.0 3.0
   58    57    65    70   0.15000  1.0 3.0
   58    57   -65    71   0.15000  1.0 3.0
   58    57   -71    65   0.28000  1.0 3.0
   58    57    71    72   0.20000  1.0 3.0
   65    57   -71    72   0.03200  1.0 1.0
   65    57   -71    72   0.33800 -1.0 2.0
   65    70    38    33   0.47050  1.0 1.0
   65    70    38    33   0.03900 -1.0 2.0
   65    70    38    33   0.20100  1.0 3.0
   65    70    38    39   0.15000  1.0 3.0
   65    70    38    43   0.47050  1.0 1.0
   65    70    38    43   0.03900 -1.0 2.0
   65    70    38    43   0.20100  1.0 3.0
   65    70    73    74   0.06250  1.0 1.0
   65    70    73    74  -0.01100 -1.0 2.0
   65    70    73    74   0.28050  1.0 3.0
   66    65    70    42   0.22950  1.0 3.0
   66    65    70    38   0.15000  1.0 3.0
   66    65    70    73   0.23400  1.0 3.0
   66    65   -71    57   0.28000  1.0 3.0
   66    65    71    72   0.20000  1.0 3.0
   70    42    48    49   0.00000  1.0 1.0
   70    42    48    50   0.00000  1.0 1.0
   70    42   -48    57   0.00000  1.0 1.0
   70    65   -71    57  -0.35450  1.0 1.0
   70    65   -71    57   0.44050 -1.0 2.0
   70    65   -71    57   0.77100  1.0 3.0
   70    65    71    72   0.03200  1.0 1.0
   70    65    71    72   0.33800 -1.0 2.0
   70    38    43    44   0.15000  1.0 3.0
   70    38    43    45   0.15000  1.0 3.0
   70    38    43    51   0.62750  1.0 1.0
   70    38    43    51  -0.30950 -1.0 2.0
   70    38    43    51   0.27300  1.0 3.0
   70    73    74    75   0.37050  1.0 3.0
   70    73    74    76   0.37050  1.0 3.0
   70    73    74    77   0.37050  1.0 3.0
   38    33    37    40   0.09850  1.0 1.0
   38    33    37    40   0.15250 -1.0 2.0
   38    33    37    40  -0.50650  1.0 3.0
   38    33   -37    42  -0.93550  1.0 1.0
   38    33   -37    42   0.38900 -1.0 2.0
   38    33   -37    42   0.16950  1.0 3.0
   38    33    61    52   0.65300  1.0 1.0
   38    33    61    52  -0.03850 -1.0 2.0
   38    33    61    52   0.33900  1.0 3.0
   38    33    61    62   0.30150 -1.0 2.0
   38    70    73    74   0.06250  1.0 1.0
   38    70    73    74  -0.01100 -1.0 2.0
   38    70    73    74   0.28050  1.0 3.0
   38    43    51    59  -0.25900  1.0 1.0
   38    43    51    59  -0.47000 -1.0 2.0
   38    43    51    59   0.11750  1.0 3.0
   39    38    43    44   0.15000  1.0 3.0
   39    38    43    45   0.15000  1.0 3.0
   39    38    43    51   0.23400  1.0 3.0
   43    51    59    60   3.00000 -1.0 2.0
   43    51    59    67  -0.80800  1.0 1.0
   43    51    59    67   2.06850 -1.0 2.0
   44    43    51    59   0.08050  1.0 3.0
   45    43    51    59   0.08050  1.0 3.0
   51    59    67    68   2.56700 -1.0 2.0
   51    59    67    69   2.56700 -1.0 2.0
   60    59    67    68   2.45000 -1.0 2.0
   60    59    67    69   2.45000 -1.0 2.0
   73    70    38    33   0.62750  1.0 1.0
   73    70    38    33  -0.30950 -1.0 2.0
   73    70    38    33   0.27300  1.0 3.0
   73    70    38    39   0.23400  1.0 3.0
   73    70    38    43   0.62750  1.0 1.0
   73    70    38    43  -0.30950 -1.0 2.0
   73    70    38    43   0.27300  1.0 3.0
   71    57   -65    66   0.15000  1.0 3.0
   71    57   -65    70   1.53400  1.0 1.0
   71    57   -65    70  -0.09950 -1.0 2.0
   71    57   -65    70   0.05700  1.0 3.0
   71    65   -70    42   4.29400  1.0 1.0
   71    65   -70    42   0.12050 -1.0 2.0
   71    65    70    38   1.53400  1.0 1.0
   71    65    70    38  -0.09950 -1.0 2.0
   71    65    70    38   0.05700  1.0 3.0
   71    65    70    73   2.01850  1.0 1.0
   71    65    70    73  -0.32950 -1.0 2.0
   71    65    70    73  -0.50350  1.0 3.0
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
   33    42    37    40   1.10000 -1.0 2.0
   46    41    40    37   1.10000 -1.0 2.0
   46    61    52    63  10.50000 -1.0 2.0
   33    52    61    62  10.50000 -1.0 2.0
   70    37    42    48   1.00000 -1.0 2.0
   51    67    59    60  10.50000 -1.0 2.0
   69    59    67    68   1.00000 -1.0 2.0
END
