* LIGAND DATABASE FILE (OPLS2005)
*
001      74    76    145    234     437
    1     0 S   NP   _N1_     1    28.83960    94.98653   -20.13775
    2     1 S   H    _HN1     2     1.02958    90.36862    41.87680
    3     1 S   H    _H1_     3     1.02829    33.42965   163.17000
    4     1 S   H    _H2_     4     1.02766    86.77748   -66.54664
    5     1 S   CT   _CA1     5     1.50209   144.03286   168.66104
    6     5 S   HC   _HA1     6     1.09582   105.09057    55.82869
    7     5 S   CO3  _C1_     7     1.53834   112.51675   -63.95526
    8     7 S   O2Z  _O11     8     1.26366   114.99579   -36.39738
    9     7 S   O2Z  _O12     9     1.26267   114.93675   142.36040
   10     5 S   CT   _CB1    10     1.53093   107.34448   173.59801
   11    10 S   HC   HB11    11     1.09818   109.15570   -49.95869
   12    10 S   HC   HB12    12     1.09805   110.40934    66.50339
   13    10 S   CT   _CG1    13     1.52991   112.82736  -171.11420
   14    13 S   HC   HG11    14     1.09555   110.40729   -65.88050
   15    13 S   HC   HG12    15     1.09661   110.01491    53.19374
   16    13 S   C    _CD1    16     1.51878   112.44330   173.14308
   17    16 S   O    _OE1    17     1.22719   123.29630    -7.53364
   18    16 S   N    _N2_    18     1.38614   111.60675   173.52371
   19    18 S   H    _HN2    19     1.01603   118.84068    -0.92387
   20    18 S   CT1  _CA2    20     1.46240   123.60128   178.35468
   21    20 S   HC   _HA2    21     1.09743   109.26261   -17.02287
   22    20 S   C    _C2_    22     1.53488   107.98098  -132.40101
   23    22 S   O    _O2_    23     1.23000   122.33810  -145.42213
   24    20 S   CT   _CB2    32     1.53390   111.59327   105.41595
   25    24 S   HC   HB21    33     1.09529   110.03000    52.75494
   26    24 S   HC   HB22    34     1.09516   110.63255   170.91561
   27    22 S   N    _N3_    24     1.38542   113.27681    41.92559
   28    27 S   H    _HN3    25     1.01535   118.89120    -0.62432
   29    24 S   S    _SG2    35     1.82865   111.83508   -70.63800
   30    27 S   CT   _CA3    26     1.45454   123.51101   175.06172
   31    30 S   HC   HA31    27     1.09519   109.29285    23.08743
   32    30 S   HC   HA32    28     1.09496   107.10206   140.11777
   33    29 S   CT   _C17    36     1.84463   100.14433   137.10326
   34    33 S   HC   _H7_    37     1.09609   108.00652    39.53573
   35    30 S   CO3  _C3_    29     1.52931   113.10317  -100.42066
   36    35 S   O2Z  _O31    30     1.26404   115.41684   -43.61870
   37    35 S   O2Z  _O32    31     1.26355   114.96989   137.30242
   38    33 S   CT   _C16    38     1.53872   109.28431   -77.78416
   39    38 S   HC   _H23    39     1.09734   109.93827   164.77663
   40    38 S   HC   _H24    40     1.09503   112.26894    46.27486
   41    38 S   CO4  _C15    41     1.51603   111.80444   -76.65174
   42    41 S   O    _O33    42     1.23006   121.59274   139.34025
   43    41 S   CT   _C14    43     1.51317   117.15561   -42.06998
   44    43 S   HC   _H21    44     1.09592   107.78124   113.39545
   45    43 S   HC   _H22    45     1.09469   108.62819  -128.73778
   46    43 S   CT   _C13    46     1.52555   109.87628    -8.28122
   47    46 S   HC   _H6_    47     1.09785   109.34324   -65.31914
   48    46 S   CT   _C8_    48     1.51392   114.18746   170.68650
   49    48 S   HC   _H4_    49     1.10444    87.58812   -73.13751
   50    48 S   CT   _C9_    50     1.53859   107.12384   174.48690
   51    50 S   HC   _H13    51     1.09695   113.39562   -27.77319
   52    50 S   HC   _H14    52     1.09420   114.88432  -149.11068
   53    50 S   CT   _C10    53     1.50329    98.89218    91.31472
   54    53 S   HC   _H5_    54     1.09606   111.25930   176.80696
   55    53 S   CT   _C12    55     1.59425   103.53110   -67.25245
   56    55 S   HC   _H19    56     1.09576   108.05843   163.51795
   57    55 S   HC   _H20    57     1.09829   106.01069   -82.03697
   58    53 S   CT   _C11    59     1.58091   107.20417    58.10116
   59    58 S   HC   _H15    60     1.09411   110.64792   118.94603
   60    58 S   HC   _H16    61     1.09495   113.01487  -118.47771
   61    33 S   NT   _N5_    58     1.46061   109.45210   158.66459
   62    58 S   NP   _N4_    62     1.58243   112.56620     2.31917
   63    62 S   H    _H17    63     1.02930   107.48359    74.95454
   64    62 S   H    _H18    64     1.02911   108.72025  -171.14443
   65    48 S   CT   _C7_    65     1.50916   142.61529     4.77097
   66    65 S   HC   _H3_    66     1.09845   112.67877   -31.64765
   67    65 S   CT   _C6_    67     1.52655   116.82180    98.30465
   68    67 S   HC   _H11    68     1.09711   109.30370   176.41876
   69    67 S   HC   _H12    69     1.09597   111.40710    59.72267
   70    67 S   CM   _C5_    70     1.50054   111.26937   -63.99451
   71    70 S   HC   _H10    71     1.08748   117.38256   -64.30761
   72    70 S   CM   _C4_    72     1.33781   123.97062   116.15088
   73    72 S   HC   _H8_    73     1.08498   120.46615   179.77272
   74    72 S   HC   _H9_    74     1.08462   121.68792    -0.26834
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4   9   5   4   3
  15   7   2   1   1  10   5   4   8   4  10   5   4  15   6  18
   9  15   6   5  12   8   7   3   2   9   5   4   1   8   4   3
   7   4   7   4   3   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    61    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    46    55    61  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    46    47    48    53    55    56    57    61  
   38    39    40    41    46    55    61  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    46    55    61  
   40    41    42    43    61  
   41    42    43    61  
   42    43    44    45    46    47    48    61  
   43    44    45    46  
   44    45    46    47    48    49    50    55    61    65  
   45    46    47    48    61  
   46    47    48    61  
   47    48    49    50    51    52    53    55    56    57    61    62    65    66    67  
   48    49    50    55    61    65  
   49    50    51    52    53    54    55    61    58    62    63    64    65    66    67    68    69    70  
   50    51    52    53    61    62    65    66    67  
   51    52    53    54    55    56    57    61    58    59    60    62    65    66    67  
   52    53    54    55    58    65  
   53    54    55    58    65  
   54    55    56    57    61    58    59    60    62    63    64    65  
   55    56    57    61    58    59    60    62  
   56    57    61    58    59    60    62  
   57    61    58  
   61    58  
   59    60    62    63    64    65    66    67    61  
   60    62    63    64    65  
   62    63    64    65  
   65  
   63    64    65    66    67    68    69    70  
   64    65    66    67  
   65    66    67  
   66    67    68    69    70    71    72  
   67    68    69    70  
   68    69    70    71    72    73    74  
   69    70    71    72  
   70    71    72  
   71    72    73    74  
   72    73    74  
   73    74  
   74  
    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   0.317500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0150   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   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   50   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   51   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   52   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   55   3.5000   0.0660   0.090000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   57   2.5000   0.0150   0.060000   1.6450   1.4500   0.008598240   0.268726247
   58   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   60   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   61   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   62   3.2500   0.1700  -0.200000   2.1950   1.9500   0.003973653   1.685851020
   63   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
   64   0.5000   0.0300   0.310000   0.9960   0.8600   0.030040813  -0.651083722
   65   3.5000   0.0660   0.230000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   67   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   70   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   73   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   74   2.4200   0.0300   0.115000   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    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    61   382.000  1.448
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   317.000  1.522
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   268.000  1.529
   46    47   340.000  1.090
   46    48   268.000  1.529
   46    61   382.000  1.448
   48    49   340.000  1.090
   48    50   268.000  1.529
   48    65   268.000  1.529
   50    51   340.000  1.090
   50    52   340.000  1.090
   50    53   268.000  1.529
   53    54   340.000  1.090
   53    55   268.000  1.529
   53    58   268.000  1.529
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    61   382.000  1.448
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    62   367.000  1.471
   62    63   434.000  1.010
   62    64   434.000  1.010
   62    65   367.000  1.471
   65    66   340.000  1.090
   65    67   268.000  1.529
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    70   317.000  1.510
   70    71   340.000  1.080
   70    72   549.000  1.340
   72    73   340.000  1.080
   72    74   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    61    85.00000  109.00000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    61    46    51.80000  107.20000
   33    61    55    51.80000  107.20000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    70.00000  116.00000
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    35.00000  109.50000
   41    43    45    35.00000  109.50000
   41    43    46    63.00000  111.10000
   43    41    42    80.00000  120.40000
   43    46    47    37.50000  110.70000
   43    46    48    58.35000  112.70000
   43    46    61    56.20000  109.47000
   45    43    44    33.00000  107.80000
   46    43    44    37.50000  110.70000
   46    43    45    37.50000  110.70000
   46    48    49    37.50000  110.70000
   46    48    50    58.35000  112.70000
   46    48    65    58.35000  112.70000
   46    61    55    51.80000  107.20000
   48    46    47    37.50000  110.70000
   48    50    51    37.50000  110.70000
   48    50    52    37.50000  110.70000
   48    50    53    58.35000  112.70000
   48    65    62    80.00000  111.20000
   48    65    66    37.50000  110.70000
   48    65    67    58.35000  112.70000
   50    48    49    37.50000  110.70000
   50    53    54    37.50000  110.70000
   50    53    55    58.35000  112.70000
   50    53    58    58.35000  112.70000
   52    50    51    33.00000  107.80000
   53    50    51    37.50000  110.70000
   53    50    52    37.50000  110.70000
   53    55    56    37.50000  110.70000
   53    55    57    37.50000  110.70000
   53    55    61    56.20000  109.47000
   53    58    59    37.50000  110.70000
   53    58    60    37.50000  110.70000
   53    58    62    80.00000  111.20000
   55    53    54    37.50000  110.70000
   57    55    56    33.00000  107.80000
   61    33    34    35.00000  109.50000
   61    33    38    56.20000  109.47000
   61    46    47    35.00000  109.50000
   61    46    48    56.20000  109.47000
   61    55    56    35.00000  109.50000
   61    55    57    35.00000  109.50000
   58    53    54    37.50000  110.70000
   58    53    55    58.35000  112.70000
   58    62    63    35.00000  109.50000
   58    62    64    35.00000  109.50000
   58    62    65    75.00000  113.01200
   60    58    59    33.00000  107.80000
   62    58    59    35.00000  109.50000
   62    58    60    35.00000  109.50000
   62    65    66    35.00000  109.50000
   62    65    67    80.00000  111.20000
   64    62    63    35.00000  109.50000
   65    48    49    37.50000  110.70000
   65    48    50    58.35000  112.70000
   65    62    63    35.00000  109.50000
   65    62    64    35.00000  109.50000
   65    67    68    37.50000  110.70000
   65    67    69    37.50000  110.70000
   65    67    70    70.00000  112.02700
   67    65    66    37.50000  110.70000
   67    70    71    35.00000  117.00000
   67    70    72    70.00000  124.00000
   69    67    68    33.00000  107.80000
   70    67    68    35.00000  109.50000
   70    67    69    35.00000  109.50000
   70    72    73    35.00000  120.00000
   70    72    74    35.00000  120.00000
   72    70    71    35.00000  120.00000
   74    72    73    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    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
   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    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    61    46   0.23200  1.0 1.0
   29    33    61    46   0.02100 -1.0 2.0
   29    33    61    46   0.24950  1.0 3.0
   29    33    61    55   0.23200  1.0 1.0
   29    33    61    55   0.02100 -1.0 2.0
   29    33    61    55   0.24950  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38    41    43   0.60050  1.0 1.0
   33    38    41    43   0.05600 -1.0 2.0
   33    38    41    43   0.26150  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    41  -0.11250  1.0 3.0
   34    33    61    46   0.28000  1.0 3.0
   34    33    61    55   0.28000  1.0 3.0
   38    33    61    46   0.23450  1.0 1.0
   38    33    61    46   0.02050 -1.0 2.0
   38    33    61    46   0.25250  1.0 3.0
   38    33    61    55   0.23450  1.0 1.0
   38    33    61    55   0.02050 -1.0 2.0
   38    33    61    55   0.25250  1.0 3.0
   38    41    43    44   0.00000  1.0 1.0
   38    41    43    45   0.00000  1.0 1.0
   38    41   -43    46   0.60050  1.0 1.0
   38    41   -43    46   0.05600 -1.0 2.0
   38    41   -43    46   0.26150  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.00000  1.0 1.0
   41    43    46    47  -0.11250  1.0 3.0
   41    43    46    48  -0.95700  1.0 1.0
   41    43    46    48  -0.18200 -1.0 2.0
   41    43    46    48   0.29450  1.0 3.0
   41    43    46    61  -3.56550  1.0 1.0
   41    43    46    61  -0.67500 -1.0 2.0
   41    43    46    61   1.11300  1.0 3.0
   42    41    43    44   0.00000  1.0 1.0
   42    41    43    45   0.00000  1.0 1.0
   42    41    43    46   0.30150 -1.0 2.0
   43    46    48    49   0.15000  1.0 3.0
   43    46    48    50   0.56750  1.0 1.0
   43    46    48    50  -0.07550 -1.0 2.0
   43    46    48    50   0.20000  1.0 3.0
   43    46    48    65   0.56750  1.0 1.0
   43    46    48    65  -0.07550 -1.0 2.0
   43    46    48    65   0.20000  1.0 3.0
   43    46   -61    33   0.23450  1.0 1.0
   43    46   -61    33   0.02050 -1.0 2.0
   43    46   -61    33   0.25250  1.0 3.0
   43    46    61    55   0.23450  1.0 1.0
   43    46    61    55   0.02050 -1.0 2.0
   43    46    61    55   0.25250  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    48   0.15000  1.0 3.0
   44    43    46    61   0.15000  1.0 3.0
   45    43    46    47   0.15000  1.0 3.0
   45    43    46    48   0.15000  1.0 3.0
   45    43    46    61   0.15000  1.0 3.0
   46    48    50    51   0.15000  1.0 3.0
   46    48    50    52   0.15000  1.0 3.0
   46    48    50    53   0.56750  1.0 1.0
   46    48    50    53  -0.07550 -1.0 2.0
   46    48    50    53   0.20000  1.0 3.0
   46    48    65    62   1.36600  1.0 1.0
   46    48    65    62  -0.11450 -1.0 2.0
   46    48    65    62   0.24250  1.0 3.0
   46    48    65    66   0.15000  1.0 3.0
   46    48    65    67   0.56750  1.0 1.0
   46    48    65    67  -0.07550 -1.0 2.0
   46    48    65    67   0.20000  1.0 3.0
   47    46    48    49   0.15000  1.0 3.0
   47    46    48    50   0.15000  1.0 3.0
   47    46    48    65   0.15000  1.0 3.0
   47    46    61    33   0.28000  1.0 3.0
   47    46    61    55   0.28000  1.0 3.0
   48    46    61    33   0.23450  1.0 1.0
   48    46    61    33   0.02050 -1.0 2.0
   48    46    61    33   0.25250  1.0 3.0
   48    46    61    55   0.23450  1.0 1.0
   48    46    61    55   0.02050 -1.0 2.0
   48    46    61    55   0.25250  1.0 3.0
   48    50    53    54   0.15000  1.0 3.0
   48    50   -53    55   0.56750  1.0 1.0
   48    50   -53    55  -0.07550 -1.0 2.0
   48    50   -53    55   0.20000  1.0 3.0
   48    50    53    58   0.56750  1.0 1.0
   48    50    53    58  -0.07550 -1.0 2.0
   48    50    53    58   0.20000  1.0 3.0
   48    65    67    68   0.15000  1.0 3.0
   48    65    67    69   0.15000  1.0 3.0
   48    65    67    70   0.34400  1.0 1.0
   48    65    67    70   0.09450 -1.0 2.0
   48    65    67    70   0.11100  1.0 3.0
   49    48    50    51   0.15000  1.0 3.0
   49    48    50    52   0.15000  1.0 3.0
   49    48    50    53   0.15000  1.0 3.0
   49    48    65    62   0.19200  1.0 3.0
   49    48    65    66   0.15000  1.0 3.0
   49    48    65    67   0.15000  1.0 3.0
   50    48    65    62   1.36600  1.0 1.0
   50    48    65    62  -0.11450 -1.0 2.0
   50    48    65    62   0.24250  1.0 3.0
   50    48    65    66   0.15000  1.0 3.0
   50    48    65    67   0.56750  1.0 1.0
   50    48    65    67  -0.07550 -1.0 2.0
   50    48    65    67   0.20000  1.0 3.0
   50    53    55    56   0.15000  1.0 3.0
   50    53    55    57   0.15000  1.0 3.0
   50    53    55    61   1.53400  1.0 1.0
   50    53    55    61  -0.09950 -1.0 2.0
   50    53    55    61   0.05700  1.0 3.0
   50    53    58    59   0.15000  1.0 3.0
   50    53    58    60   0.15000  1.0 3.0
   50    53   -58    62   1.36600  1.0 1.0
   50    53   -58    62  -0.11450 -1.0 2.0
   50    53   -58    62   0.24250  1.0 3.0
   51    50    53    54   0.15000  1.0 3.0
   51    50    53    55   0.15000  1.0 3.0
   51    50    53    58   0.15000  1.0 3.0
   52    50    53    54   0.15000  1.0 3.0
   52    50    53    55   0.15000  1.0 3.0
   52    50    53    58   0.15000  1.0 3.0
   53    55    61    33   0.23450  1.0 1.0
   53    55    61    33   0.02050 -1.0 2.0
   53    55    61    33   0.25250  1.0 3.0
   53    55   -61    46   0.23450  1.0 1.0
   53    55   -61    46   0.02050 -1.0 2.0
   53    55   -61    46   0.25250  1.0 3.0
   53    58    62    63   0.17350  1.0 3.0
   53    58    62    64   0.17350  1.0 3.0
   53    58    62    65   0.47100  1.0 1.0
   54    53    55    56   0.15000  1.0 3.0
   54    53    55    57   0.15000  1.0 3.0
   54    53    55    61   0.15000  1.0 3.0
   54    53    58    59   0.15000  1.0 3.0
   54    53    58    60   0.15000  1.0 3.0
   54    53    58    62   0.19200  1.0 3.0
   55    53    58    59   0.15000  1.0 3.0
   55    53    58    60   0.15000  1.0 3.0
   55    53    58    62   1.36600  1.0 1.0
   55    53    58    62  -0.11450 -1.0 2.0
   55    53    58    62   0.24250  1.0 3.0
   56    55    61    33   0.28000  1.0 3.0
   56    55    61    46   0.28000  1.0 3.0
   57    55    61    33   0.28000  1.0 3.0
   57    55    61    46   0.28000  1.0 3.0
   61    33    38    39   0.15000  1.0 3.0
   61    33    38    40   0.15000  1.0 3.0
   61    33   -38    41  -3.56550  1.0 1.0
   61    33   -38    41  -0.67500 -1.0 2.0
   61    33   -38    41   1.11300  1.0 3.0
   61    46    48    49   0.15000  1.0 3.0
   61    46   -48    50   1.53400  1.0 1.0
   61    46   -48    50  -0.09950 -1.0 2.0
   61    46   -48    50   0.05700  1.0 3.0
   61    46    48    65   1.53400  1.0 1.0
   61    46    48    65  -0.09950 -1.0 2.0
   61    46    48    65   0.05700  1.0 3.0
   58    53    55    56   0.15000  1.0 3.0
   58    53    55    57   0.15000  1.0 3.0
   58    53    55    61   1.53400  1.0 1.0
   58    53    55    61  -0.09950 -1.0 2.0
   58    53    55    61   0.05700  1.0 3.0
   58    62   -65    48   0.47100  1.0 1.0
   58    62    65    66   0.15000  1.0 3.0
   58    62    65    67   0.47100  1.0 1.0
   59    58    62    63   0.13050  1.0 3.0
   59    58    62    64   0.13050  1.0 3.0
   59    58    62    65   0.15000  1.0 3.0
   60    58    62    63   0.13050  1.0 3.0
   60    58    62    64   0.13050  1.0 3.0
   60    58    62    65   0.15000  1.0 3.0
   62    65    67    68   0.19200  1.0 3.0
   62    65    67    69   0.19200  1.0 3.0
   62    65    67    70  -0.47300  1.0 1.0
   62    65    67    70   0.29700 -1.0 2.0
   62    65    67    70   0.83300  1.0 3.0
   63    62    65    48   0.17350  1.0 3.0
   63    62    65    66   0.13050  1.0 3.0
   63    62    65    67   0.17350  1.0 3.0
   64    62    65    48   0.17350  1.0 3.0
   64    62    65    66   0.13050  1.0 3.0
   64    62    65    67   0.17350  1.0 3.0
   65    48    50    51   0.15000  1.0 3.0
   65    48    50    52   0.15000  1.0 3.0
   65    48   -50    53   0.56750  1.0 1.0
   65    48   -50    53  -0.07550 -1.0 2.0
   65    48   -50    53   0.20000  1.0 3.0
   65    67    70    71   0.00000  1.0 1.0
   65    67    70    72   0.09850  1.0 1.0
   65    67    70    72   0.15250 -1.0 2.0
   65    67    70    72  -0.50650  1.0 3.0
   66    65    67    68   0.15000  1.0 3.0
   66    65    67    69   0.15000  1.0 3.0
   66    65    67    70   0.15000  1.0 3.0
   67    70    72    73   7.00000 -1.0 2.0
   67    70    72    74   7.00000 -1.0 2.0
   68    67    70    71   0.33100  1.0 3.0
   68    67    70    72   0.00000  1.0 1.0
   69    67    70    71   0.33100  1.0 3.0
   69    67    70    72   0.00000  1.0 1.0
   71    70    72    73   7.00000 -1.0 2.0
   71    70    72    74   7.00000 -1.0 2.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   38    43    41    42  10.50000 -1.0 2.0
   67    71    70    72  15.00000 -1.0 2.0
   73    74    72    70  15.00000 -1.0 2.0
END
