* LIGAND DATABASE FILE (OPLS2005)
*
001      79    82    155    248     454
    1     0 S   NP   _N1_     1    29.39054    91.90402   -22.61656
    2     1 S   H    _HN1     2     1.02773   104.92404   -70.99837
    3     1 S   H    _H1_     3     1.02969    95.59151    39.68261
    4     1 S   H    _H2_     4     1.02827    14.08824  -175.37573
    5     1 S   CT   _CA1     5     1.50154   123.59284   158.62339
    6     5 S   HC   _HA1     6     1.09582   105.19748    65.72260
    7     5 S   CO3  _C1_     7     1.53780   112.44114   -54.30600
    8     7 S   O2Z  _O11     8     1.26350   115.01856   -41.71433
    9     7 S   O2Z  _O12     9     1.26255   114.91850   137.36491
   10     5 S   CT   _CB1    10     1.53077   107.34646  -176.50800
   11    10 S   HC   HB11    11     1.09820   109.14281   -51.68599
   12    10 S   HC   HB12    12     1.09822   110.42690    64.74682
   13    10 S   CT   _CG1    13     1.53019   112.82340  -172.94818
   14    13 S   HC   HG11    14     1.09595   110.26835   -64.99542
   15    13 S   HC   HG12    15     1.09638   110.16592    54.25956
   16    13 S   C    _CD1    16     1.51785   112.21676   174.34026
   17    16 S   O    _OE1    17     1.22756   123.19269    -9.24012
   18    16 S   N    _N2_    18     1.38701   111.79450   171.46358
   19    18 S   H    _HN2    19     1.01588   119.16395     0.55214
   20    18 S   CT1  _CA2    20     1.46072   123.08874  -178.95545
   21    20 S   HC   _HA2    21     1.09567   109.07852   -13.11383
   22    20 S   C    _C2_    22     1.53448   108.94039  -128.25588
   23    22 S   O    _O2_    23     1.23036   122.04851  -149.26102
   24    20 S   CT   _CB2    32     1.53548   111.95584   109.19742
   25    24 S   HC   HB21    33     1.09661   109.46283    64.84161
   26    24 S   HC   HB22    34     1.09578   110.80247  -177.99377
   27    22 S   N    _N3_    24     1.38458   113.51867    38.28813
   28    27 S   H    _HN3    25     1.01528   118.90032    -0.79549
   29    24 S   S    _SG2    35     1.82837   114.99938   -54.78705
   30    27 S   CT   _CA3    26     1.45452   123.51508   174.96873
   31    30 S   HC   HA31    27     1.09519   109.31551    22.94967
   32    30 S   HC   HA32    28     1.09497   107.10979   139.97550
   33    29 S   CT   _C20    36     1.82641   100.03858   -68.49314
   34    33 S   HC   _H3_    37     1.09355   106.78385   -66.54894
   35    33 S   HC   _H4_    38     1.09205   109.30680    50.71275
   36    30 S   CO3  _C3_    29     1.52919   113.03642  -100.57084
   37    36 S   O2Z  _O31    30     1.26406   115.37699   -44.93626
   38    36 S   O2Z  _O32    31     1.26347   114.99967   135.96336
   39    33 S   CT   _C13    39     1.53118   111.02841   172.72074
   40    39 S   HC   _H36    40     1.09650   111.57165    49.42532
   41    39 S   CO4  _C5_    41     1.52004   111.68426   -73.62844
   42    41 S   O    _O18    42     1.22129   125.99475    77.52735
   43    41 S   OS   _O20    43     1.37242   110.05601  -102.47101
   44    43 S   CT   _C16    44     1.43176   108.72833     5.79961
   45    44 S   HC   _H39    45     1.09762   106.99082    88.89831
   46    44 S   CT   _C10    46     1.52073   111.34349  -150.88391
   47    46 S   HC   _H31    47     1.09822   108.21593   -39.79768
   48    46 S   HC   _H32    48     1.09634   111.62713    74.94535
   49    39 S   CT   _C15    66     1.53400   115.24507   173.77786
   50    49 S   HC   _H38    67     1.10037   105.44480  -162.56218
   51    46 S   C3T  _C18    49     1.50425   111.31192  -160.93965
   52    51 S   C3T  _C11    50     1.52216   116.65432   133.24128
   53    52 S   HC   _H33    51     1.08291   119.28757     4.11704
   54    52 S   HC   _H34    52     1.08296   119.16383   151.75706
   55    51 S   CT   _C14    54     1.51673   120.89125   -74.77943
   56    55 S   HC   _H37    55     1.10171   105.12971  -100.13224
   57    51 S   O3T  _O21    53     1.43943   113.43077    69.10706
   58    55 S   CT   _C8_    56     1.53541   113.94593   141.91943
   59    58 S   HC   _H27    57     1.09575   111.93789    67.62567
   60    58 S   HC   _H28    58     1.09775   111.91311   -52.05079
   61    58 S   CT   _C12    59     1.52624   104.41527  -172.37429
   62    61 S   HC   _H35    60     1.09781   111.34412   -87.75438
   63    61 S   CM   _C4_    61     1.50771   103.34195    29.55718
   64    61 S   OS   _O23    73     1.43243   110.88790   147.64525
   65    55 S   CT   _C17    62     1.54836   119.16244    20.47049
   66    63 S   CM   _C6_    70     1.34116   123.61961   176.80218
   67    66 S   HC   _H25    71     1.08487   121.23931   178.56278
   68    66 S   HC   _H26    72     1.08496   121.12311    -1.63996
   69    64 S   CO4  _C7_    74     1.36285   116.34335    79.93688
   70    69 S   O    _O19    75     1.22320   126.34873     0.09065
   71    65 S   CT   _C9_    63     1.54669   117.19354    45.32506
   72    71 S   HC   _H29    64     1.09890   108.63795   164.15832
   73    71 S   HC   _H30    65     1.09678   110.24436    47.91599
   74    65 S   OH   _O22    68     1.42648   109.70978   -80.37577
   75    74 S   HO   _H45    69     0.97251   108.43373   -60.69281
   76    69 S   CT   _C19    76     1.49834   109.52704  -179.83929
   77    76 S   HC   _H40    77     1.09291   109.83479   -60.76550
   78    76 S   HC   _H41    78     1.09379   109.36333  -179.80317
   79    76 S   HC   _H42    79     1.09291   109.82133    61.14502
  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   7   5   4   3
  11   5   4   2   1   1  13   7   8   3   9  14   7  14   6   5
   9   4  14   7   3   2  16   9   2  11   6   5  12   5  11   8
   8   4   1   1   5   4   4   2   1   1   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    49  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    71    49    50  
   35    39    40    41    49  
   39    40    41    49  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    65    71    72    73    49    50  
   41    42    43    44    71    49    50  
   42    43    44    45    46    71    49    50  
   43    44    49  
   44    45    46    47    48    51    71    49    50  
   45    46    47    48    51    52    57    55    65    71    72    73    49    50  
   46    47    48    51    71    49    50  
   47    48    51    52    53    54    57    55    56    58    65    71    49    50  
   48    51    52    57    55    49  
   51    52    57    55    49  
   50    74    51    55    63    65    71    72    73  
   65    71    72    73  
   52    53    54    57    55    56    58    59    60    61    63    65    71    74  
   53    54    57    55    56    58    65  
   54    57    55  
   57    55  
   56    58    59    60    61    62    63    65    71    72    73    74    75    66    64    57  
   58    59    60    61    63    65    71    74    57  
   58    65  
   59    60    61    62    63    65    71    74    66    64    69  
   60    61    62    63    65    64  
   61    62    63    65    64  
   62    63    65    71    74    66    67    68    64    69    70    76  
   63    65    66    64    69  
   65    71    72    73    74    75    66    67    68    64    69  
   69    70    76    77    78    79    65    66  
   71    72    73    74    75    66    67    68  
   67    68    71    74  
   68  
    0  
   70    76    77    78    79  
   76    77    78    79  
   72    73    74    75  
   73    74  
   74  
   75  
    0  
   77    78    79  
   78    79  
   79  
    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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   52   3.5000   0.0660   0.056200   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   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   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   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   62   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   63   3.5500   0.0760  -0.069000   2.0020   1.7750   0.023028004  -0.852763146
   64   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   66   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   67   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   68   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   69   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   70   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   75   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   76   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   77   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   78   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   79   2.4200   0.0150   0.060000   1.3810   1.2100   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   317.000  1.522
   39    49   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    49   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    51   275.000  1.510
   51    52   260.000  1.509
   51    57   335.000  1.432
   51    55   275.000  1.510
   52    53   340.000  1.088
   52    54   340.000  1.088
   52    57   335.000  1.432
   55    56   340.000  1.090
   55    58   268.000  1.529
   55    65   268.000  1.529
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   268.000  1.529
   61    62   340.000  1.090
   61    63   317.000  1.510
   61    64   320.000  1.410
   63    65   317.000  1.510
   63    66   549.000  1.340
   65    71   268.000  1.529
   65    74   320.000  1.410
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    49   268.000  1.529
   49    50   340.000  1.090
   74    75   553.000  0.945
   66    67   340.000  1.080
   66    68   340.000  1.080
   64    69   214.000  1.327
   69    70   570.000  1.229
   69    76   317.000  1.522
   76    77   340.000  1.090
   76    78   340.000  1.090
   76    79   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    63.00000  111.10000
   33    39    49    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    49    44    58.35000  112.70000
   39    49    71    58.35000  112.70000
   39    49    50    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    50.00000  109.50000
   43    44    49    50.00000  109.50000
   44    46    47    37.50000  110.70000
   44    46    48    37.50000  110.70000
   44    46    51    70.00000  112.37300
   44    49    71    58.35000  112.70000
   44    49    50    37.50000  110.70000
   46    44    45    37.50000  110.70000
   46    51    52    60.00000  120.94000
   46    51    57    80.00000  116.47100
   46    51    55    58.35000  112.70000
   48    46    47    33.00000  107.80000
   51    46    47    45.00000  109.38400
   51    46    48    45.00000  109.38400
   51    52    53    37.50000  117.20000
   51    52    54    37.50000  117.20000
   51    52    57    15.00000   60.43100
   51    57    52    15.00000   59.14900
   51    55    56    45.00000  109.38400
   51    55    58    70.00000  112.37300
   51    55    65    70.00000  112.37300
   54    52    53    35.00000  114.30000
   57    51    52    15.00000   60.43100
   57    52    53    50.00000  114.27700
   57    52    54    50.00000  114.27700
   55    51    52    60.00000  120.94000
   55    51    57    80.00000  116.47100
   55    58    59    37.50000  110.70000
   55    58    60    37.50000  110.70000
   55    58    61    58.35000  112.70000
   55    65    63    70.00000  112.02700
   55    65    71    58.35000  112.70000
   55    65    74    50.00000  109.50000
   58    55    56    37.50000  110.70000
   58    61    62    37.50000  110.70000
   58    61    63    70.00000  112.02700
   58    61    64    50.00000  109.50000
   60    58    59    33.00000  107.80000
   61    58    59    37.50000  110.70000
   61    58    60    37.50000  110.70000
   61    63    65    65.00000  117.92700
   61    63    66    70.00000  124.00000
   61    64    69    83.00000  116.90000
   63    61    62    35.00000  109.50000
   63    65    71    70.00000  112.02700
   63    65    74    90.00000  110.39200
   63    66    67    35.00000  120.00000
   63    66    68    35.00000  120.00000
   65    55    56    37.50000  110.70000
   65    55    58    58.35000  112.70000
   65    71    72    37.50000  110.70000
   65    71    73    37.50000  110.70000
   65    71    49    58.35000  112.70000
   65    74    75    55.00000  108.50000
   71    49    50    37.50000  110.70000
   73    71    72    33.00000  107.80000
   49    39    40    37.50000  110.70000
   49    39    41    63.00000  111.10000
   49    44    45    37.50000  110.70000
   49    44    46    58.35000  112.70000
   49    71    72    37.50000  110.70000
   49    71    73    37.50000  110.70000
   74    65    71    50.00000  109.50000
   66    63    65    70.00000  124.00000
   68    66    67    35.00000  117.00000
   64    61    62    35.00000  109.50000
   64    61    63    85.00000  110.90400
   64    69    70    83.00000  123.40000
   64    69    76    81.00000  111.40000
   69    76    77    35.00000  109.50000
   69    76    78    35.00000  109.50000
   69    76    79    35.00000  109.50000
   76    69    70    80.00000  120.40000
   78    76    77    33.00000  107.80000
   79    76    77    33.00000  107.80000
   79    76    78    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    49   0.44750  1.0 1.0
   29    33    39    49  -0.17800 -1.0 2.0
   29    33    39    49   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    49    44   0.56750  1.0 1.0
   33    39    49    44  -0.07550 -1.0 2.0
   33    39    49    44   0.20000  1.0 3.0
   33    39    49    71   0.56750  1.0 1.0
   33    39    49    71  -0.07550 -1.0 2.0
   33    39    49    71   0.20000  1.0 3.0
   33    39    49    50   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    49   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    49   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    49    44   0.15000  1.0 3.0
   40    39    49    71   0.15000  1.0 3.0
   40    39    49    50   0.15000  1.0 3.0
   41    39   -49    44  -0.95700  1.0 1.0
   41    39   -49    44  -0.18200 -1.0 2.0
   41    39   -49    44   0.29450  1.0 3.0
   41    39    49    71  -0.95700  1.0 1.0
   41    39    49    71  -0.18200 -1.0 2.0
   41    39    49    71   0.29450  1.0 3.0
   41    39    49    50  -0.11250  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43    44    46  -0.25900  1.0 1.0
   41    43    44    46  -0.47000 -1.0 2.0
   41    43    44    46   0.11750  1.0 3.0
   41    43   -44    49  -0.25900  1.0 1.0
   41    43   -44    49  -0.47000 -1.0 2.0
   41    43   -44    49   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44    46    47   0.23400  1.0 3.0
   43    44    46    48   0.23400  1.0 3.0
   43    44    46    51  -0.26800  1.0 1.0
   43    44    46    51   0.69150 -1.0 2.0
   43    44    46    51  -0.48750  1.0 3.0
   43    44   -49    39   0.62750  1.0 1.0
   43    44   -49    39  -0.30950 -1.0 2.0
   43    44   -49    39   0.27300  1.0 3.0
   43    44    49    71   0.62750  1.0 1.0
   43    44    49    71  -0.30950 -1.0 2.0
   43    44    49    71   0.27300  1.0 3.0
   43    44    49    50   0.23400  1.0 3.0
   44    46    51    52   0.07850  1.0 1.0
   44    46    51    52  -0.03950 -1.0 2.0
   44    46    51    52   0.67350  1.0 3.0
   44    46    51    57   0.02550  1.0 1.0
   44    46    51    57  -0.02600 -1.0 2.0
   44    46    51    57   1.20400  1.0 3.0
   44    46    51    55   0.56750  1.0 1.0
   44    46    51    55  -0.07550 -1.0 2.0
   44    46    51    55   0.20000  1.0 3.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    48   0.15000  1.0 3.0
   45    44    46    51   0.15000  1.0 3.0
   45    44    49    39   0.15000  1.0 3.0
   45    44    49    71   0.15000  1.0 3.0
   45    44    49    50   0.15000  1.0 3.0
   46    44    49    39   0.56750  1.0 1.0
   46    44    49    39  -0.07550 -1.0 2.0
   46    44    49    39   0.20000  1.0 3.0
   46    44    49    71   0.56750  1.0 1.0
   46    44    49    71  -0.07550 -1.0 2.0
   46    44    49    71   0.20000  1.0 3.0
   46    44    49    50   0.15000  1.0 3.0
   46    51    52    53   0.15000  1.0 3.0
   46    51    52    54   0.15000  1.0 3.0
   46    51   -52    57   0.02550  1.0 1.0
   46    51   -52    57  -0.02600 -1.0 2.0
   46    51   -52    57   1.20400  1.0 3.0
   46    51   -57    52   0.06250  1.0 1.0
   46    51   -57    52  -0.01100 -1.0 2.0
   46    51   -57    52   0.28050  1.0 3.0
   46    51    55    56   0.15000  1.0 3.0
   46    51    55    58   0.56750  1.0 1.0
   46    51    55    58  -0.07550 -1.0 2.0
   46    51    55    58   0.20000  1.0 3.0
   46    51    55    65   0.56750  1.0 1.0
   46    51    55    65  -0.07550 -1.0 2.0
   46    51    55    65   0.20000  1.0 3.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    57   0.23400  1.0 3.0
   47    46    51    55   0.15000  1.0 3.0
   48    46    51    52   0.15000  1.0 3.0
   48    46    51    57   0.23400  1.0 3.0
   48    46    51    55   0.15000  1.0 3.0
   51    55    58    59   0.15000  1.0 3.0
   51    55    58    60   0.15000  1.0 3.0
   51    55    58    61   0.47050  1.0 1.0
   51    55    58    61   0.03900 -1.0 2.0
   51    55    58    61   0.20100  1.0 3.0
   51    55    65    63   0.34400  1.0 1.0
   51    55    65    63   0.09450 -1.0 2.0
   51    55    65    63   0.11100  1.0 3.0
   51    55    65    71   0.47050  1.0 1.0
   51    55    65    71   0.03900 -1.0 2.0
   51    55    65    71   0.20100  1.0 3.0
   51    55    65    74   0.86500  1.0 1.0
   51    55    65    74  -0.17500 -1.0 2.0
   51    55    65    74   0.20800  1.0 3.0
   52    51    55    56   0.15000  1.0 3.0
   52    51    55    58   0.07850  1.0 1.0
   52    51    55    58  -0.03950 -1.0 2.0
   52    51    55    58   0.67350  1.0 3.0
   52    51    55    65   0.07850  1.0 1.0
   52    51    55    65  -0.03950 -1.0 2.0
   52    51    55    65   0.67350  1.0 3.0
   53    52   -57    51   0.36800  1.0 3.0
   54    52   -57    51   0.36800  1.0 3.0
   57    51   -52    53   0.23400  1.0 3.0
   57    51   -52    54   0.23400  1.0 3.0
   57    51    55    56   0.23400  1.0 3.0
   57    51    55    58   0.02550  1.0 1.0
   57    51    55    58  -0.02600 -1.0 2.0
   57    51    55    58   1.20400  1.0 3.0
   57    51    55    65   0.02550  1.0 1.0
   57    51    55    65  -0.02600 -1.0 2.0
   57    51    55    65   1.20400  1.0 3.0
   55    51    52    53   0.15000  1.0 3.0
   55    51    52    54   0.15000  1.0 3.0
   55    51   -52    57   0.02550  1.0 1.0
   55    51   -52    57  -0.02600 -1.0 2.0
   55    51   -52    57   1.20400  1.0 3.0
   55    51   -57    52   0.06250  1.0 1.0
   55    51   -57    52  -0.01100 -1.0 2.0
   55    51   -57    52   0.28050  1.0 3.0
   55    58    61    62   0.15000  1.0 3.0
   55    58   -61    63   0.34400  1.0 1.0
   55    58   -61    63   0.09450 -1.0 2.0
   55    58   -61    63   0.11100  1.0 3.0
   55    58    61    64   0.62750  1.0 1.0
   55    58    61    64  -0.30950 -1.0 2.0
   55    58    61    64   0.27300  1.0 3.0
   55    65    71    72   0.15000  1.0 3.0
   55    65    71    73   0.15000  1.0 3.0
   55    65    71    49   0.56750  1.0 1.0
   55    65    71    49  -0.07550 -1.0 2.0
   55    65    71    49   0.20000  1.0 3.0
   55    65    74    75  -0.11600  1.0 1.0
   55    65    74    75  -0.09450 -1.0 2.0
   55    65    74    75   0.21250  1.0 3.0
   56    55    58    59   0.15000  1.0 3.0
   56    55    58    60   0.15000  1.0 3.0
   56    55    58    61   0.15000  1.0 3.0
   56    55    65    63   0.15000  1.0 3.0
   56    55    65    71   0.15000  1.0 3.0
   56    55    65    74   0.23400  1.0 3.0
   58    55   -65    63   0.34400  1.0 1.0
   58    55   -65    63   0.09450 -1.0 2.0
   58    55   -65    63   0.11100  1.0 3.0
   58    55    65    71   0.56750  1.0 1.0
   58    55    65    71  -0.07550 -1.0 2.0
   58    55    65    71   0.20000  1.0 3.0
   58    55    65    74   0.86500  1.0 1.0
   58    55    65    74  -0.17500 -1.0 2.0
   58    55    65    74   0.20800  1.0 3.0
   58    61   -63    65   0.46850  1.0 1.0
   58    61   -63    65   0.08550 -1.0 2.0
   58    61   -63    65   0.09800  1.0 3.0
   58    61    63    66   0.09850  1.0 1.0
   58    61    63    66   0.15250 -1.0 2.0
   58    61    63    66  -0.50650  1.0 3.0
   58    61    64    69  -0.25900  1.0 1.0
   58    61    64    69  -0.47000 -1.0 2.0
   58    61    64    69   0.11750  1.0 3.0
   59    58    61    62   0.15000  1.0 3.0
   59    58    61    63   0.15000  1.0 3.0
   59    58    61    64   0.23400  1.0 3.0
   60    58    61    62   0.15000  1.0 3.0
   60    58    61    63   0.15000  1.0 3.0
   60    58    61    64   0.23400  1.0 3.0
   61    63   -65    55   0.46850  1.0 1.0
   61    63   -65    55   0.08550 -1.0 2.0
   61    63   -65    55   0.09800  1.0 3.0
   61    63    65    71   0.46850  1.0 1.0
   61    63    65    71   0.08550 -1.0 2.0
   61    63    65    71   0.09800  1.0 3.0
   61    63    65    74   0.18000  1.0 1.0
   61    63    65    74   0.16450 -1.0 2.0
   61    63    65    74   0.04450  1.0 3.0
   61    63    66    67   7.00000 -1.0 2.0
   61    63    66    68   7.00000 -1.0 2.0
   61    64    69    70   3.00000 -1.0 2.0
   61    64    69    76   1.63150  1.0 1.0
   61    64    69    76   2.92000 -1.0 2.0
   62    61    63    65   0.34800  1.0 3.0
   62    61    63    66   0.00000  1.0 1.0
   62    61    64    69   0.08050  1.0 3.0
   63    61    64    69  -0.82050  1.0 1.0
   63    61    64    69   0.00600 -1.0 2.0
   63    61    64    69   0.04400  1.0 3.0
   63    65    71    72   0.15000  1.0 3.0
   63    65    71    73   0.15000  1.0 3.0
   63    65    71    49   0.34400  1.0 1.0
   63    65    71    49   0.09450 -1.0 2.0
   63    65    71    49   0.11100  1.0 3.0
   63    65    74    75  -0.07800  1.0 1.0
   63    65    74    75  -0.21500 -1.0 2.0
   63    65    74    75  -0.03150  1.0 3.0
   65    55    58    59   0.15000  1.0 3.0
   65    55    58    60   0.15000  1.0 3.0
   65    55   -58    61   0.56750  1.0 1.0
   65    55   -58    61  -0.07550 -1.0 2.0
   65    55   -58    61   0.20000  1.0 3.0
   65    63    66    67   7.00000 -1.0 2.0
   65    63    66    68   7.00000 -1.0 2.0
   65    71    49    39   0.56750  1.0 1.0
   65    71    49    39  -0.07550 -1.0 2.0
   65    71    49    39   0.20000  1.0 3.0
   65    71    49    44   0.56750  1.0 1.0
   65    71    49    44  -0.07550 -1.0 2.0
   65    71    49    44   0.20000  1.0 3.0
   65    71    49    50   0.15000  1.0 3.0
   71    65    74    75  -0.11600  1.0 1.0
   71    65    74    75  -0.09450 -1.0 2.0
   71    65    74    75   0.21250  1.0 3.0
   72    71    49    39   0.15000  1.0 3.0
   72    71    49    44   0.15000  1.0 3.0
   72    71    49    50   0.15000  1.0 3.0
   73    71    49    39   0.15000  1.0 3.0
   73    71    49    44   0.15000  1.0 3.0
   73    71    49    50   0.15000  1.0 3.0
   49    39    41    42   0.30150 -1.0 2.0
   49    39   -41    43   0.36750  1.0 3.0
   49    44    46    47   0.15000  1.0 3.0
   49    44    46    48   0.15000  1.0 3.0
   49    44    46    51   0.47050  1.0 1.0
   49    44    46    51   0.03900 -1.0 2.0
   49    44    46    51   0.20100  1.0 3.0
   74    65    71    72   0.23400  1.0 3.0
   74    65    71    73   0.23400  1.0 3.0
   74    65    71    49   0.86500  1.0 1.0
   74    65    71    49  -0.17500 -1.0 2.0
   74    65    71    49   0.20800  1.0 3.0
   66    63    65    55   0.09850  1.0 1.0
   66    63    65    55   0.15250 -1.0 2.0
   66    63    65    55  -0.50650  1.0 3.0
   66    63    65    71   0.09850  1.0 1.0
   66    63    65    71   0.15250 -1.0 2.0
   66    63    65    71  -0.50650  1.0 3.0
   66    63    65    74   0.67800  1.0 1.0
   66    63    65    74   0.47050 -1.0 2.0
   66    63    65    74  -0.62500  1.0 3.0
   64    61    63    65   0.09700  1.0 1.0
   64    61    63    65   0.15600 -1.0 2.0
   64    61    63    65  -0.50800  1.0 3.0
   64    61    63    66   0.39000  1.0 1.0
   64    61    63    66  -0.05800 -1.0 2.0
   64    61    63    66  -0.55150  1.0 3.0
   64    69    76    77   0.00000  1.0 1.0
   64    69    76    78   0.00000  1.0 1.0
   64    69    76    79   0.00000  1.0 1.0
   70    69    76    77   0.00000  1.0 1.0
   70    69    76    78   0.00000  1.0 1.0
   70    69    76    79   0.00000  1.0 1.0
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
   38    30    36    37  10.50000 -1.0 2.0
   39    43    41    42  10.50000 -1.0 2.0
   61    65    63    66   1.10000 -1.0 2.0
   67    68    66    63   1.10000 -1.0 2.0
   64    76    69    70  10.50000 -1.0 2.0
END
