* LIGAND DATABASE FILE (OPLS2005)
*
001      80    81    152    234     443
    1     0 S   NP   _N1_     1    28.67812    96.80223   -22.80356
    2     1 S   H    _HN1     2     1.02951    71.29451    18.61707
    3     1 S   H    _H1_     3     1.02829    41.86672   166.01041
    4     1 S   H    _H2_     4     1.02783    99.45347   -87.68288
    5     1 S   CT   _CA1     5     1.50111   144.91127   117.72644
    6     5 S   HC   _HA1     6     1.09573   105.21034    91.40880
    7     5 S   CO3  _C1_     7     1.53796   112.43412   -28.83844
    8     7 S   O2Z  _O11     8     1.26371   115.00834   -43.07893
    9     7 S   O2Z  _O12     9     1.26240   114.94715   136.07549
   10     5 S   CT   _CB1    10     1.53085   107.42458  -150.61215
   11    10 S   HC   HB11    11     1.09830   109.39408   -49.86573
   12    10 S   HC   HB12    12     1.09814   110.43392    66.74318
   13    10 S   CT   _CG1    13     1.52983   112.59751  -170.86172
   14    13 S   HC   HG11    14     1.09588   110.58347   -64.76794
   15    13 S   HC   HG12    15     1.09667   109.83586    54.45848
   16    13 S   C    _CD1    16     1.51800   112.28364   174.90838
   17    16 S   O    _OE1    17     1.22725   123.30953     4.52021
   18    16 S   N    _N2_    18     1.38647   111.62434  -175.57030
   19    18 S   H    _HN2    19     1.01583   118.93860     1.88989
   20    18 S   CT1  _CA2    20     1.46203   123.41730   178.25348
   21    20 S   HC   _HA2    21     1.09736   109.37622     0.80064
   22    20 S   C    _C2_    22     1.53516   108.61839  -114.70750
   23    22 S   O    _O2_    23     1.23055   122.28714  -148.12000
   24    20 S   CT   _CB2    32     1.53367   111.51002   122.80025
   25    24 S   HC   HB21    33     1.09575   109.96193    56.12610
   26    24 S   HC   HB22    34     1.09427   110.02576   175.21558
   27    22 S   N    _N3_    24     1.38334   113.67976    39.35373
   28    27 S   H    _HN3    25     1.01597   119.57229    -3.43866
   29    24 S   S    _SG2    35     1.82776   111.40321   -64.91577
   30    27 S   CT   _CA3    26     1.45289   123.18102   177.05563
   31    30 S   HC   HA31    27     1.09550   107.51482   -64.31095
   32    30 S   HC   HA32    28     1.09557   107.97184    52.11526
   33    29 S   CT   _C15    36     1.84584   100.00305   167.88958
   34    33 S   HC   _H3_    37     1.09738   106.86134   -45.05080
   35    30 S   CO3  _C3_    29     1.52951   114.10448   174.10701
   36    35 S   O2Z  _O31    30     1.26373   116.06647    -0.75017
   37    35 S   O2Z  _O32    31     1.26430   114.41074   179.31215
   38    33 S   CT   _C9_    38     1.54410   110.96175    71.87890
   39    38 S   HC   _H26    39     1.09771   109.48146   -59.14621
   40    38 S   HC   _H27    40     1.09727   108.66228  -171.69017
   41    33 S   CT   _C12    57     1.55298   109.68334  -161.79946
   42    41 S   HC   _H31    58     1.09449   110.11045   -51.96684
   43    38 S   CT   _C8_    41     1.53508   115.57081    63.54007
   44    43 S   HC   _H24    42     1.09240   112.84531     8.86173
   45    43 S   HC   _H25    43     1.09884   108.03022  -105.83659
   46    41 S   CT   _C18    59     1.53382   112.69067    68.08958
   47    46 S   HC   _H38    60     1.09574   111.25572    55.16566
   48    46 S   HC   _H39    61     1.09393   111.76421   -65.82534
   49    46 S   HC   _H40    62     1.09518   110.96679   174.46678
   50    43 S   CM   _C4_    44     1.50681   111.82880   133.44141
   51    50 S   C4T  _C11    45     1.50028   121.35475   -79.63413
   52    51 S   HC   _H30    46     1.10010   110.12503   114.62138
   53    50 S   CM   _C6_    78     1.34379   121.13292    99.41379
   54    53 S   HC   _H22    79     1.08537   121.76513  -179.21516
   55    53 S   HC   _H23    80     1.08531   121.26835     0.35332
   56    51 S   C4T  _C10    47     1.55896   113.88572  -118.20211
   57    56 S   HC   _H28    48     1.09503   115.14765   -96.43349
   58    56 S   HC   _H29    49     1.09815   114.38565    29.32980
   59    51 S   C4T  _C14    51     1.56599   119.97342   -17.19752
   60    59 S   HC   _H33    52     1.09909   112.67114   -28.76785
   61    56 S   C4T  _C16    50     1.55162    88.86151   145.17176
   62    59 S   CT   _C13    53     1.53199   118.96471   102.12256
   63    62 S   HC   _H32    54     1.09659   109.49366    53.59269
   64    62 S   CO4  _C5_    55     1.52230   115.46288   -67.08950
   65    64 S   O    _O18    56     1.23414   120.23578   124.23642
   66    62 S   OS   _O20    63     1.43931   107.42822   173.35560
   67    61 S   CT   _C19    70     1.53137   112.35541    96.03159
   68    67 S   HC   _H41    71     1.09510   110.98685  -171.45385
   69    67 S   HC   _H42    72     1.09575   110.70695    69.06053
   70    67 S   HC   _H43    73     1.09490   112.10342   -50.75472
   71    61 S   CT   _C20    74     1.52873   113.56595  -137.43344
   72    71 S   HC   _H44    75     1.09524   110.81642   170.22861
   73    71 S   HC   _H45    76     1.09547   111.72236    50.18852
   74    71 S   HC   _H46    77     1.09540   110.92980   -69.77332
   75    66 S   CO4  _C7_    64     1.36274   117.51603  -149.01448
   76    75 S   O    _O19    65     1.22276   126.49637    -0.80089
   77    75 S   CT   _C17    66     1.49829   109.40705   179.29446
   78    77 S   HC   _H35    67     1.09295   109.80690   -60.67706
   79    77 S   HC   _H36    68     1.09376   109.36776  -179.70658
   80    77 S   HC   _H37    69     1.09289   109.82574    61.21903
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  17   8   2   1   1  12   6   5  12   7  10   4   3   6   3   2
   1  12  16   8   4   1   1  14   5   4  16   7  12   9   4   3
   1   6   7   3   2   1   3   2   1   1   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    41    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    43    64    41    42    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    43    44    45    50    62    64    65    41    42    46    47    48    49  
   38    39    40    43    64    41    42    46  
   36    37  
   37  
    0  
   39    40    43    44    45    50    51    64    41    42    46    53  
   40    43    44    45    50    41  
   43    44    45    50    41  
   42    46    47    48    49    66    43    59    62    63    64    65  
   46    47    48    49    62    64    65  
   44    45    50    51    52    56    59    53    54    55  
   45    50    51    53  
   50    51    53  
   47    48    49    62    64    65  
   48    49    64  
   49    64  
   64  
   51    52    56    57    58    61    59    60    62    53    54    55  
   52    56    57    58    61    59    60    62    63    64    66    67    71    53    54    55  
   56    57    58    61    59    60    62    53  
   54    55    56    59  
   55  
    0  
   57    58    61    59    60    62    67    68    69    70    71    72    73    74  
   58    61    59    67    71  
   61    59    67    71  
   60    62    63    64    65    66    75    67    68    69    70    71    72    73    74    61  
   62    63    64    66    67    71    61  
   62    63    64    66    67    68    69    70    71    72    73    74  
   63    64    65    66    75    76    77    67    71  
   64    65    66    75  
   65    66    75  
   66  
   75    76    77    78    79    80  
   68    69    70    71    72    73    74  
   69    70    71  
   70    71  
   71  
   72    73    74  
   73    74  
   74  
    0  
   76    77    78    79    80  
   77    78    79    80  
   78    79    80  
   79    80  
   80  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.180000   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   54   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   3.5000   0.0660  -0.117600   1.9750   1.7500   0.005000000  -0.741685710
   62   3.5000   0.0660   0.268000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   64   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   65   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   66   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5000   0.0660  -0.121200   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   71   3.5000   0.0660  -0.121200   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   76   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   77   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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
   80   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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    41   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    43   268.000  1.529
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    50   317.000  1.510
   50    51   317.000  1.510
   50    53   549.000  1.340
   51    52   340.000  1.090
   51    56   268.000  1.529
   51    59   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    61   268.000  1.529
   61    59   268.000  1.529
   61    67   260.000  1.519
   61    71   260.000  1.519
   59    60   340.000  1.090
   59    62   260.000  1.519
   62    63   340.000  1.090
   62    64   317.000  1.522
   62    66   320.000  1.410
   64    65   570.000  1.229
   64    41   317.000  1.522
   41    42   340.000  1.090
   41    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   340.000  1.090
   66    75   214.000  1.327
   75    76   570.000  1.229
   75    77   317.000  1.522
   77    78   340.000  1.090
   77    79   340.000  1.090
   77    80   340.000  1.090
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   340.000  1.090
   71    72   340.000  1.090
   71    73   340.000  1.090
   71    74   340.000  1.090
   53    54   340.000  1.080
   53    55   340.000  1.080
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    41    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    43    58.35000  112.70000
   33    41    64    63.00000  111.10000
   33    41    42    37.50000  110.70000
   33    41    46    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    43    44    37.50000  110.70000
   38    43    45    37.50000  110.70000
   38    43    50    70.00000  112.02700
   40    38    39    33.00000  107.80000
   43    38    39    37.50000  110.70000
   43    38    40    37.50000  110.70000
   43    50    51    65.00000  117.92700
   43    50    53    70.00000  124.00000
   45    43    44    33.00000  107.80000
   50    43    44    35.00000  109.50000
   50    43    45    35.00000  109.50000
   50    51    52    35.00000  109.50000
   50    51    56    70.00000  112.02700
   50    51    59    70.00000  112.02700
   50    53    54    35.00000  120.00000
   50    53    55    35.00000  120.00000
   51    56    57    37.50000  110.70000
   51    56    58    37.50000  110.70000
   51    56    61    63.00000   92.00000
   51    59    61    63.00000   92.00000
   51    59    60    37.50000  110.70000
   51    59    62    65.00000  119.52000
   56    51    52    37.50000  110.70000
   56    61    59    63.00000   92.00000
   56    61    67    65.00000  119.52000
   56    61    71    65.00000  119.52000
   58    56    57    33.00000  107.80000
   61    56    57    37.50000  110.70000
   61    56    58    37.50000  110.70000
   61    59    60    37.50000  110.70000
   61    59    62    65.00000  119.52000
   61    67    68    45.00000  111.22300
   61    67    69    45.00000  111.22300
   61    67    70    45.00000  111.22300
   61    71    72    45.00000  111.22300
   61    71    73    45.00000  111.22300
   61    71    74    45.00000  111.22300
   59    51    52    37.50000  110.70000
   59    51    56    63.00000   92.00000
   59    62    63    45.00000  111.22300
   59    62    64    63.00000  111.10000
   59    62    66    50.00000  109.50000
   62    59    60    45.00000  112.72800
   62    64    65    80.00000  120.40000
   62    64    41    70.00000  116.00000
   62    66    75    83.00000  116.90000
   64    62    63    35.00000  109.50000
   64    41    42    35.00000  109.50000
   64    41    46    63.00000  111.10000
   41    33    34    37.50000  110.70000
   41    33    38    58.35000  112.70000
   41    64    65    80.00000  120.40000
   41    46    47    37.50000  110.70000
   41    46    48    37.50000  110.70000
   41    46    49    37.50000  110.70000
   46    41    42    37.50000  110.70000
   48    46    47    33.00000  107.80000
   49    46    47    33.00000  107.80000
   49    46    48    33.00000  107.80000
   66    62    63    35.00000  109.50000
   66    62    64    90.00000  108.74100
   66    75    76    83.00000  123.40000
   66    75    77    81.00000  111.40000
   75    77    78    35.00000  109.50000
   75    77    79    35.00000  109.50000
   75    77    80    35.00000  109.50000
   77    75    76    80.00000  120.40000
   79    77    78    33.00000  107.80000
   80    77    78    33.00000  107.80000
   80    77    79    33.00000  107.80000
   67    61    59    65.00000  119.52000
   69    67    68    33.00000  107.80000
   70    67    68    33.00000  107.80000
   70    67    69    33.00000  107.80000
   71    61    59    65.00000  119.52000
   71    61    67    58.35000  112.70000
   73    71    72    33.00000  107.80000
   74    71    72    33.00000  107.80000
   74    71    73    33.00000  107.80000
   53    50    51    70.00000  124.00000
   55    53    54    35.00000  117.00000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  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
   29    33    41    64   0.56750  1.0 1.0
   29    33    41    64  -0.07550 -1.0 2.0
   29    33    41    64   0.20000  1.0 3.0
   29    33    41    42   0.15000  1.0 3.0
   29    33    41    46   0.44750  1.0 1.0
   29    33    41    46  -0.17800 -1.0 2.0
   29    33    41    46   0.20200  1.0 3.0
   33    38    43    44   0.15000  1.0 3.0
   33    38    43    45   0.15000  1.0 3.0
   33    38    43    50   0.34400  1.0 1.0
   33    38    43    50   0.09450 -1.0 2.0
   33    38    43    50   0.11100  1.0 3.0
   33    41    46    47   0.15000  1.0 3.0
   33    41    46    48   0.15000  1.0 3.0
   33    41    46    49   0.15000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    43   0.15000  1.0 3.0
   34    33    41    64  -0.11250  1.0 3.0
   34    33    41    42   0.15000  1.0 3.0
   34    33    41    46   0.15000  1.0 3.0
   38    33    41    64  -0.95700  1.0 1.0
   38    33    41    64  -0.18200 -1.0 2.0
   38    33    41    64   0.29450  1.0 3.0
   38    33    41    42   0.15000  1.0 3.0
   38    33    41    46   0.56750  1.0 1.0
   38    33    41    46  -0.07550 -1.0 2.0
   38    33    41    46   0.20000  1.0 3.0
   38    43    50    51   0.46850  1.0 1.0
   38    43    50    51   0.08550 -1.0 2.0
   38    43    50    51   0.09800  1.0 3.0
   38    43    50    53   0.09850  1.0 1.0
   38    43    50    53   0.15250 -1.0 2.0
   38    43    50    53  -0.50650  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    50   0.15000  1.0 3.0
   40    38    43    44   0.15000  1.0 3.0
   40    38    43    45   0.15000  1.0 3.0
   40    38    43    50   0.15000  1.0 3.0
   43    50    51    52   0.34800  1.0 3.0
   43    50    51    56   0.46850  1.0 1.0
   43    50    51    56   0.08550 -1.0 2.0
   43    50    51    56   0.09800  1.0 3.0
   43    50    51    59   0.46850  1.0 1.0
   43    50    51    59   0.08550 -1.0 2.0
   43    50    51    59   0.09800  1.0 3.0
   43    50    53    54   7.00000 -1.0 2.0
   43    50    53    55   7.00000 -1.0 2.0
   44    43    50    51   0.34800  1.0 3.0
   44    43    50    53   0.00000  1.0 1.0
   45    43    50    51   0.34800  1.0 3.0
   45    43    50    53   0.00000  1.0 1.0
   50    51    56    57   0.15000  1.0 3.0
   50    51    56    58   0.15000  1.0 3.0
   50    51    56    61   0.34400  1.0 1.0
   50    51    56    61   0.09450 -1.0 2.0
   50    51    56    61   0.11100  1.0 3.0
   50    51   -59    61   0.34400  1.0 1.0
   50    51   -59    61   0.09450 -1.0 2.0
   50    51   -59    61   0.11100  1.0 3.0
   50    51    59    60   0.15000  1.0 3.0
   50    51    59    62   0.34400  1.0 1.0
   50    51    59    62   0.09450 -1.0 2.0
   50    51    59    62   0.11100  1.0 3.0
   51    50    53    54   7.00000 -1.0 2.0
   51    50    53    55   7.00000 -1.0 2.0
   51    56   -61    59   0.00000  1.0 1.0
   51    56    61    67  -0.70950  1.0 1.0
   51    56    61    67   0.38400 -1.0 2.0
   51    56    61    71  -0.70950  1.0 1.0
   51    56    61    71   0.38400 -1.0 2.0
   51    59    62    63   0.00000  1.0 1.0
   51    59    62    64  -0.95700  1.0 1.0
   51    59    62    64  -0.18200 -1.0 2.0
   51    59    62    64   0.29450  1.0 3.0
   51    59    62    66   0.62750  1.0 1.0
   51    59    62    66  -0.30950 -1.0 2.0
   51    59    62    66   0.27300  1.0 3.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    58   0.15000  1.0 3.0
   52    51    56    61   0.15000  1.0 3.0
   52    51   -59    61   0.15000  1.0 3.0
   52    51    59    60   0.15000  1.0 3.0
   52    51    59    62   0.15000  1.0 3.0
   56    51   -59    61   0.00000  1.0 1.0
   56    51    59    60   0.15000  1.0 3.0
   56    51    59    62  -0.70950  1.0 1.0
   56    51    59    62   0.38400 -1.0 2.0
   56    61   -59    51   0.00000  1.0 1.0
   56    61   -59    60   0.15000  1.0 3.0
   56    61   -59    62  -0.70950  1.0 1.0
   56    61   -59    62   0.38400 -1.0 2.0
   56    61    67    68   0.00000  1.0 1.0
   56    61    67    69   0.00000  1.0 1.0
   56    61    67    70   0.00000  1.0 1.0
   56    61    71    72   0.00000  1.0 1.0
   56    61    71    73   0.00000  1.0 1.0
   56    61    71    74   0.00000  1.0 1.0
   57    56    61    59   0.15000  1.0 3.0
   57    56    61    67   0.15000  1.0 3.0
   57    56    61    71   0.15000  1.0 3.0
   58    56    61    59   0.15000  1.0 3.0
   58    56    61    67   0.15000  1.0 3.0
   58    56    61    71   0.15000  1.0 3.0
   61    59    62    63   0.00000  1.0 1.0
   61    59    62    64  -0.95700  1.0 1.0
   61    59    62    64  -0.18200 -1.0 2.0
   61    59    62    64   0.29450  1.0 3.0
   61    59    62    66   0.62750  1.0 1.0
   61    59    62    66  -0.30950 -1.0 2.0
   61    59    62    66   0.27300  1.0 3.0
   59    51   -56    57   0.15000  1.0 3.0
   59    51   -56    58   0.15000  1.0 3.0
   59    51   -56    61   0.00000  1.0 1.0
   59    61    67    68   0.00000  1.0 1.0
   59    61    67    69   0.00000  1.0 1.0
   59    61    67    70   0.00000  1.0 1.0
   59    61    71    72   0.00000  1.0 1.0
   59    61    71    73   0.00000  1.0 1.0
   59    61    71    74   0.00000  1.0 1.0
   59    62    64    65   0.30150 -1.0 2.0
   59    62    64    41   0.60050  1.0 1.0
   59    62    64    41   0.05600 -1.0 2.0
   59    62    64    41   0.26150  1.0 3.0
   59    62    66    75  -0.25900  1.0 1.0
   59    62    66    75  -0.47000 -1.0 2.0
   59    62    66    75   0.11750  1.0 3.0
   60    59    62    63   0.15000  1.0 3.0
   60    59    62    64  -0.11250  1.0 3.0
   60    59    62    66   0.23400  1.0 3.0
   62    64    41    33   0.60050  1.0 1.0
   62    64    41    33   0.05600 -1.0 2.0
   62    64    41    33   0.26150  1.0 3.0
   62    64    41    42   0.00000  1.0 1.0
   62    64    41    46   0.60050  1.0 1.0
   62    64    41    46   0.05600 -1.0 2.0
   62    64    41    46   0.26150  1.0 3.0
   62    66    75    76   3.00000 -1.0 2.0
   62    66    75    77   1.63150  1.0 1.0
   62    66    75    77   2.92000 -1.0 2.0
   63    62    64    65   0.00000  1.0 1.0
   63    62    64    41   0.00000  1.0 1.0
   63    62    66    75   0.08050  1.0 3.0
   64    62    66    75  -1.80650  1.0 1.0
   64    62    66    75   0.63900 -1.0 2.0
   64    62    66    75   0.03650  1.0 3.0
   64    41    46    47  -0.11250  1.0 3.0
   64    41    46    48  -0.11250  1.0 3.0
   64    41    46    49  -0.11250  1.0 3.0
   65    64    41    33   0.30150 -1.0 2.0
   65    64    41    42   0.00000  1.0 1.0
   65    64    41    46   0.30150 -1.0 2.0
   41    33    38    39   0.15000  1.0 3.0
   41    33    38    40   0.15000  1.0 3.0
   41    33    38    43   0.56750  1.0 1.0
   41    33    38    43  -0.07550 -1.0 2.0
   41    33    38    43   0.20000  1.0 3.0
   42    41    46    47   0.15000  1.0 3.0
   42    41    46    48   0.15000  1.0 3.0
   42    41    46    49   0.15000  1.0 3.0
   66    62    64    65   0.30150 -1.0 2.0
   66    62    64    41   0.55300  1.0 1.0
   66    62    64    41   1.25850 -1.0 2.0
   66    62    64    41  -0.23600  1.0 3.0
   66    75    77    78   0.00000  1.0 1.0
   66    75    77    79   0.00000  1.0 1.0
   66    75    77    80   0.00000  1.0 1.0
   76    75    77    78   0.00000  1.0 1.0
   76    75    77    79   0.00000  1.0 1.0
   76    75    77    80   0.00000  1.0 1.0
   67    61   -59    51  -0.70950  1.0 1.0
   67    61   -59    51   0.38400 -1.0 2.0
   67    61    59    60   0.15000  1.0 3.0
   67    61    59    62   0.56750  1.0 1.0
   67    61    59    62  -0.07550 -1.0 2.0
   67    61    59    62   0.20000  1.0 3.0
   67    61    71    72   0.15000  1.0 3.0
   67    61    71    73   0.15000  1.0 3.0
   67    61    71    74   0.15000  1.0 3.0
   71    61   -59    51  -0.70950  1.0 1.0
   71    61   -59    51   0.38400 -1.0 2.0
   71    61    59    60   0.15000  1.0 3.0
   71    61    59    62   0.56750  1.0 1.0
   71    61    59    62  -0.07550 -1.0 2.0
   71    61    59    62   0.20000  1.0 3.0
   71    61    67    68   0.15000  1.0 3.0
   71    61    67    69   0.15000  1.0 3.0
   71    61    67    70   0.15000  1.0 3.0
   53    50    51    52   0.00000  1.0 1.0
   53    50    51    56   0.09850  1.0 1.0
   53    50    51    56   0.15250 -1.0 2.0
   53    50    51    56  -0.50650  1.0 3.0
   53    50    51    59   0.09850  1.0 1.0
   53    50    51    59   0.15250 -1.0 2.0
   53    50    51    59  -0.50650  1.0 3.0
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
   37    30    35    36  10.50000 -1.0 2.0
   43    51    50    53   1.10000 -1.0 2.0
   62    41    64    65  10.50000 -1.0 2.0
   66    77    75    76  10.50000 -1.0 2.0
   54    55    53    50   1.10000 -1.0 2.0
END
