* LIGAND DATABASE FILE (OPLS2005)
*
001      75    77    140    223     414
    1     0 S   NP   _N1_     1    28.91338    95.34348   -24.58373
    2     1 S   H    _HN1     2     1.02948    75.18744    12.23693
    3     1 S   H    _H1_     3     1.02827    32.10238  -174.34372
    4     1 S   H    _H2_     4     1.02793   115.56958   -91.35032
    5     1 S   CT   _CA1     5     1.50123   126.85129   116.87806
    6     5 S   HC   _HA1     6     1.09574   105.16771    91.20596
    7     5 S   CO3  _C1_     7     1.53767   112.47580   -28.99324
    8     7 S   O2Z  _O11     8     1.26373   115.00486   -42.36781
    9     7 S   O2Z  _O12     9     1.26238   114.94060   136.68182
   10     5 S   CT   _CB1    10     1.53066   107.41123  -150.83663
   11    10 S   HC   HB11    11     1.09839   109.31130   -49.63625
   12    10 S   HC   HB12    12     1.09811   110.47737    66.95337
   13    10 S   CT   _CG1    13     1.53015   112.64320  -170.59316
   14    13 S   HC   HG11    14     1.09572   110.69734   -67.21979
   15    13 S   HC   HG12    15     1.09672   109.72029    52.02425
   16    13 S   C    _CD1    16     1.51813   112.07144   172.47022
   17    16 S   O    _OE1    17     1.22748   123.20721    10.61523
   18    16 S   N    _N2_    18     1.38654   111.78517  -169.30782
   19    18 S   H    _HN2    19     1.01569   118.95716     1.22669
   20    18 S   CT1  _CA2    20     1.46219   123.39986   176.65473
   21    20 S   HC   _HA2    21     1.09740   109.29723     7.46798
   22    20 S   C    _C2_    22     1.53671   108.78409  -108.04779
   23    22 S   O    _O2_    23     1.23081   122.25637  -148.12504
   24    20 S   CT   _CB2    32     1.53326   111.65249   129.48304
   25    24 S   HC   HB21    33     1.09588   110.18455    56.38308
   26    24 S   HC   HB22    34     1.09444   109.94252   175.38001
   27    22 S   N    _N3_    24     1.38318   113.85592    39.32984
   28    27 S   H    _HN3    25     1.01546   119.62370    -3.03086
   29    24 S   S    _SG2    35     1.82616   111.60149   -64.54505
   30    27 S   CT   _CA3    26     1.45288   123.27689   177.24594
   31    30 S   HC   HA31    27     1.09547   107.49067   -65.30953
   32    30 S   HC   HA32    28     1.09555   108.02221    51.15274
   33    29 S   CT   _C10    36     1.83498    99.32056   176.80383
   34    33 S   HC   _H6_    37     1.10147   105.27026   -54.94085
   35    30 S   CO3  _C3_    29     1.52976   114.04108   173.16494
   36    35 S   O2Z  _O31    30     1.26383   116.07180    -0.67580
   37    35 S   O2Z  _O32    31     1.26424   114.42059   179.38643
   38    33 S   CT   _C9_    38     1.54934   116.42168    64.33552
   39    38 S   HC   _H5_    39     1.09624   110.06690   -81.30895
   40    33 S   CT   _C11    50     1.56987   112.21168  -175.09695
   41    40 S   OM   _O33    51     1.32581   109.20926   106.56490
   42    40 S   HC   _H7_    52     1.09868   109.11093   -24.24909
   43    38 S   CT   _C8_    40     1.54232   116.34577    44.31143
   44    43 S   HC   _H13    41     1.09794   109.67097   179.23485
   45    43 S   HC   _H14    42     1.09619   110.41436   -66.70330
   46    43 S   CT   _C7_    43     1.53661   113.52997    56.56616
   47    46 S   HC   _H4_    44     1.09638   110.04924   -82.72252
   48    46 S   CT   _C6_    45     1.53709   112.06547    38.04440
   49    48 S   HC   _H11    46     1.09789   108.73908  -160.87218
   50    48 S   HC   _H12    47     1.09730   110.19527    84.91305
   51    46 S   OS   _O34    58     1.44316   110.02521   157.81742
   52    48 S   CT   _C5_    48     1.54578   112.71834   -38.94621
   53    52 S   HC   _H3_    49     1.09821   109.02426   179.49332
   54    51 S   CO4  _C12    59     1.35980   117.66392    78.60540
   55    54 S   O    _O35    60     1.22239   126.16683     1.96961
   56    38 S   NT   _N4_    53     1.46823    98.28241   162.96198
   57    54 S   CM   _C13    61     1.49240   109.36337  -178.52913
   58    56 S   CT   _C4_    54     1.44973   116.58172   176.68436
   59    58 S   HC   _H8_    55     1.09552   109.95456   -60.40725
   60    58 S   HC   _H9_    56     1.09548   110.02416  -177.53558
   61    58 S   HC   _H10    57     1.09350   114.56319    60.93660
   62    57 S   CA   _C15    62     1.47424   122.93178    13.36499
   63    57 S   CM   _C14    73     1.34302   117.23866  -167.90090
   64    63 S   HC   _H15    74     1.08575   122.15411     0.80963
   65    63 S   HC   _H16    75     1.08621   121.64661  -178.97188
   66    62 S   CA   _C16    63     1.40237   120.86199  -119.11781
   67    66 S   HA   _H17    64     1.08762   120.68788     0.10835
   68    66 S   CA   _C17    65     1.39633   120.38033   179.70926
   69    68 S   HA   _H18    66     1.08635   119.92506  -179.91153
   70    68 S   CA   _C18    67     1.39371   120.11152    -0.00000
   71    70 S   HA   _H19    68     1.08621   120.01567  -179.96044
   72    70 S   CA   _C19    69     1.39357   119.96621    -0.00000
   73    72 S   HA   _H20    70     1.08630   119.98546  -179.97202
   74    62 S   CA   _C20    71     1.40258   120.09664    60.56899
   75    74 S   HA   _H21    72     1.08776   120.62825     0.32984
  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
  15   8   2   1   1  18   8  11   5   4  12   6   5  11   6   8
   5   4   6   6   2   8   3   4  10   3   2   1   1  12   4   1
   1   8   4   6   3   5   3   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    40    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    43    52    40    41    42    56  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    43    44    45    46    48    52    53    40    41    42    56    58  
   38    39    43    52    40    41    42    56  
   36    37  
   37  
    0  
   39    43    44    45    46    47    48    52    53    40    41    42    56    58    59    60    61    51  
   43    44    45    46    52    40    56    58  
   41    42    56    58    43    46    48    49    50    52    53  
   42    56    48    52    53  
   56    48    52    53  
   44    45    46    47    48    49    50    52    56    58    51    54  
   45    46    47    48    56    51  
   46    47    48    56    51  
   47    48    49    50    52    53    56    51    54    55    57  
   48    49    50    52    51    54  
   49    50    52    53    56    58    51    54  
   50    52    53    56    51  
   52    53    56    51  
   54    55    57    62    63    52  
   53    56    58    59    60    61  
   56    58  
   55    57    62    66    74    63    64    65  
   57    62    63  
   58    59    60    61  
   62    66    67    68    72    74    75    63    64    65  
   59    60    61  
   60    61  
   61  
    0  
   66    67    68    69    70    72    73    74    75    63    64    65  
   64    65    66    74  
   65  
    0  
   67    68    69    70    71    72    74    75  
   68    69    70    74  
   69    70    71    72    73    74  
   70    71    72  
   71    72    73    74    75  
   72    73    74  
   73    74    75  
   74    75  
   75  
    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   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   41   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   42   2.5000   0.0500   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   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   48   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   52   3.5000   0.0660   0.150000   1.9750   1.7500   0.005000000  -0.741685710
   53   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   55   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   56   3.3000   0.1700  -0.630000   1.9050   1.6860   0.051222218  -2.220205820
   57   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   58   3.5000   0.0660   0.030000   1.9750   1.7500   0.005000000  -0.741685710
   59   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   61   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.5500   0.0700   0.000000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   64   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   65   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   66   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   67   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   68   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   69   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   70   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   71   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   75   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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    40   268.000  1.529
   38    39   340.000  1.090
   38    43   268.000  1.529
   38    56   382.000  1.448
   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    51   320.000  1.410
   48    49   340.000  1.090
   48    50   340.000  1.090
   48    52   268.000  1.529
   52    53   340.000  1.090
   52    40   268.000  1.529
   52    56   382.000  1.448
   40    41   570.000  1.307
   40    42   340.000  1.090
   56    58   382.000  1.448
   58    59   340.000  1.090
   58    60   340.000  1.090
   58    61   340.000  1.090
   51    54   214.000  1.327
   54    55   570.000  1.229
   54    57   320.000  1.462
   57    62   320.000  1.460
   57    63   549.000  1.340
   62    66   469.000  1.400
   62    74   469.000  1.400
   66    67   367.000  1.080
   66    68   469.000  1.400
   68    69   367.000  1.080
   68    70   469.000  1.400
   70    71   367.000  1.080
   70    72   469.000  1.400
   72    73   367.000  1.080
   72    74   469.000  1.400
   74    75   367.000  1.080
   63    64   340.000  1.080
   63    65   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    40    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    43    58.35000  112.70000
   33    38    56    56.20000  109.47000
   33    40    52    58.35000  112.70000
   33    40    41    50.00000  109.50000
   33    40    42    37.50000  110.70000
   38    33    34    37.50000  110.70000
   38    43    44    37.50000  110.70000
   38    43    45    37.50000  110.70000
   38    43    46    58.35000  112.70000
   38    56    52    51.80000  107.20000
   38    56    58    51.80000  107.20000
   43    38    39    37.50000  110.70000
   43    46    47    37.50000  110.70000
   43    46    48    58.35000  112.70000
   43    46    51    50.00000  109.50000
   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    37.50000  110.70000
   46    48    52    58.35000  112.70000
   46    51    54    83.00000  116.90000
   48    46    47    37.50000  110.70000
   48    52    53    37.50000  110.70000
   48    52    40    58.35000  112.70000
   48    52    56    56.20000  109.47000
   50    48    49    33.00000  107.80000
   52    48    49    37.50000  110.70000
   52    48    50    37.50000  110.70000
   52    40    41    50.00000  109.50000
   52    40    42    37.50000  110.70000
   52    56    58    51.80000  107.20000
   40    33    34    37.50000  110.70000
   40    33    38    58.35000  112.70000
   40    52    53    37.50000  110.70000
   42    40    41    45.00000  125.66300
   56    38    39    35.00000  109.50000
   56    38    43    56.20000  109.47000
   56    52    53    35.00000  109.50000
   56    52    40    56.20000  109.47000
   56    58    59    35.00000  109.50000
   56    58    60    35.00000  109.50000
   56    58    61    35.00000  109.50000
   60    58    59    33.00000  107.80000
   61    58    59    33.00000  107.80000
   61    58    60    33.00000  107.80000
   51    46    47    35.00000  109.50000
   51    46    48    50.00000  109.50000
   51    54    55    83.00000  123.40000
   51    54    57    90.00000  111.29400
   54    57    62    75.00000  114.44000
   54    57    63    65.00000  118.96000
   57    54    55    80.00000  123.72100
   57    62    66    60.00000  120.93500
   57    62    74    60.00000  120.93500
   57    63    64    35.00000  120.00000
   57    63    65    35.00000  120.00000
   62    66    67    35.00000  120.00000
   62    66    68    63.00000  120.00000
   62    74    72    63.00000  120.00000
   62    74    75    35.00000  120.00000
   66    68    69    35.00000  120.00000
   66    68    70    63.00000  120.00000
   68    66    67    35.00000  120.00000
   68    70    71    35.00000  120.00000
   68    70    72    63.00000  120.00000
   70    68    69    35.00000  120.00000
   70    72    73    35.00000  120.00000
   70    72    74    63.00000  120.00000
   72    70    71    35.00000  120.00000
   72    74    75    35.00000  120.00000
   74    62    66    63.00000  120.00000
   74    72    73    35.00000  120.00000
   63    57    62    60.00000  123.20500
   65    63    64    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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   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    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    38    56   0.56750  1.0 1.0
   29    33    38    56  -0.07550 -1.0 2.0
   29    33    38    56   0.20000  1.0 3.0
   29    33    40    52   0.44750  1.0 1.0
   29    33    40    52  -0.17800 -1.0 2.0
   29    33    40    52   0.20200  1.0 3.0
   29    33    40    41   0.56750  1.0 1.0
   29    33    40    41  -0.07550 -1.0 2.0
   29    33    40    41   0.20000  1.0 3.0
   29    33    40    42   0.15000  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    46   0.56750  1.0 1.0
   33    38    43    46  -0.07550 -1.0 2.0
   33    38    43    46   0.20000  1.0 3.0
   33    38   -56    52   0.23450  1.0 1.0
   33    38   -56    52   0.02050 -1.0 2.0
   33    38   -56    52   0.25250  1.0 3.0
   33    38    56    58   0.58650  1.0 1.0
   33    38    56    58   0.12600 -1.0 2.0
   33    38    56    58   0.33350  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    43   0.15000  1.0 3.0
   34    33    38    56   0.15000  1.0 3.0
   34    33    40    52   0.15000  1.0 3.0
   34    33    40    41   0.23400  1.0 3.0
   34    33    40    42   0.15000  1.0 3.0
   38    33   -40    52   0.56750  1.0 1.0
   38    33   -40    52  -0.07550 -1.0 2.0
   38    33   -40    52   0.20000  1.0 3.0
   38    33    40    41   0.62750  1.0 1.0
   38    33    40    41  -0.30950 -1.0 2.0
   38    33    40    41   0.27300  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    43    46    47   0.15000  1.0 3.0
   38    43    46    48   0.56750  1.0 1.0
   38    43    46    48  -0.07550 -1.0 2.0
   38    43    46    48   0.20000  1.0 3.0
   38    43    46    51   0.62750  1.0 1.0
   38    43    46    51  -0.30950 -1.0 2.0
   38    43    46    51   0.27300  1.0 3.0
   38    56    58    59   0.28000  1.0 3.0
   38    56    58    60   0.28000  1.0 3.0
   38    56    58    61   0.28000  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    46   0.15000  1.0 3.0
   39    38    56    52   0.28000  1.0 3.0
   39    38    56    58   0.28000  1.0 3.0
   43    38    56    52   0.23450  1.0 1.0
   43    38    56    52   0.02050 -1.0 2.0
   43    38    56    52   0.25250  1.0 3.0
   43    38    56    58   0.58650  1.0 1.0
   43    38    56    58   0.12600 -1.0 2.0
   43    38    56    58   0.33350  1.0 3.0
   43    46    48    49   0.15000  1.0 3.0
   43    46    48    50   0.15000  1.0 3.0
   43    46   -48    52   0.56750  1.0 1.0
   43    46   -48    52  -0.07550 -1.0 2.0
   43    46   -48    52   0.20000  1.0 3.0
   43    46    51    54  -0.25900  1.0 1.0
   43    46    51    54  -0.47000 -1.0 2.0
   43    46    51    54   0.11750  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    51   0.23400  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    51   0.23400  1.0 3.0
   46    48    52    53   0.15000  1.0 3.0
   46    48    52    40   0.56750  1.0 1.0
   46    48    52    40  -0.07550 -1.0 2.0
   46    48    52    40   0.20000  1.0 3.0
   46    48    52    56   1.53400  1.0 1.0
   46    48    52    56  -0.09950 -1.0 2.0
   46    48    52    56   0.05700  1.0 3.0
   46    51    54    55   3.00000 -1.0 2.0
   46    51    54    57   2.00000 -1.0 2.0
   47    46    48    49   0.15000  1.0 3.0
   47    46    48    50   0.15000  1.0 3.0
   47    46    48    52   0.15000  1.0 3.0
   47    46    51    54   0.08050  1.0 3.0
   48    46    51    54  -0.25900  1.0 1.0
   48    46    51    54  -0.47000 -1.0 2.0
   48    46    51    54   0.11750  1.0 3.0
   48    52    40    33   0.56750  1.0 1.0
   48    52    40    33  -0.07550 -1.0 2.0
   48    52    40    33   0.20000  1.0 3.0
   48    52    40    41   0.62750  1.0 1.0
   48    52    40    41  -0.30950 -1.0 2.0
   48    52    40    41   0.27300  1.0 3.0
   48    52    40    42   0.15000  1.0 3.0
   48    52   -56    38   0.23450  1.0 1.0
   48    52   -56    38   0.02050 -1.0 2.0
   48    52   -56    38   0.25250  1.0 3.0
   48    52    56    58   0.58650  1.0 1.0
   48    52    56    58   0.12600 -1.0 2.0
   48    52    56    58   0.33350  1.0 3.0
   49    48    52    53   0.15000  1.0 3.0
   49    48    52    40   0.15000  1.0 3.0
   49    48    52    56   0.15000  1.0 3.0
   50    48    52    53   0.15000  1.0 3.0
   50    48    52    40   0.15000  1.0 3.0
   50    48    52    56   0.15000  1.0 3.0
   52    56    58    59   0.28000  1.0 3.0
   52    56    58    60   0.28000  1.0 3.0
   52    56    58    61   0.28000  1.0 3.0
   53    52    40    33   0.15000  1.0 3.0
   53    52    40    41   0.23400  1.0 3.0
   53    52    40    42   0.15000  1.0 3.0
   53    52    56    38   0.28000  1.0 3.0
   53    52    56    58   0.28000  1.0 3.0
   40    33    38    39   0.15000  1.0 3.0
   40    33    38    43   0.56750  1.0 1.0
   40    33    38    43  -0.07550 -1.0 2.0
   40    33    38    43   0.20000  1.0 3.0
   40    33   -38    56   1.53400  1.0 1.0
   40    33   -38    56  -0.09950 -1.0 2.0
   40    33   -38    56   0.05700  1.0 3.0
   40    52   -56    38   0.23450  1.0 1.0
   40    52   -56    38   0.02050 -1.0 2.0
   40    52   -56    38   0.25250  1.0 3.0
   40    52    56    58   0.58650  1.0 1.0
   40    52    56    58   0.12600 -1.0 2.0
   40    52    56    58   0.33350  1.0 3.0
   56    38    43    44   0.15000  1.0 3.0
   56    38    43    45   0.15000  1.0 3.0
   56    38   -43    46   1.53400  1.0 1.0
   56    38   -43    46  -0.09950 -1.0 2.0
   56    38   -43    46   0.05700  1.0 3.0
   56    52   -40    33   1.53400  1.0 1.0
   56    52   -40    33  -0.09950 -1.0 2.0
   56    52   -40    33   0.05700  1.0 3.0
   56    52    40    41   1.74050  1.0 1.0
   56    52    40    42   0.15000  1.0 3.0
   51    46    48    49   0.23400  1.0 3.0
   51    46    48    50   0.23400  1.0 3.0
   51    46    48    52   0.62750  1.0 1.0
   51    46    48    52  -0.30950 -1.0 2.0
   51    46    48    52   0.27300  1.0 3.0
   51    54    57    62   1.50000 -1.0 2.0
   51    54    57    63  -0.56150  1.0 1.0
   51    54    57    63   2.19150 -1.0 2.0
   54    57    62    66  -0.01750  1.0 1.0
   54    57    62    66  -0.32000 -1.0 2.0
   54    57    62    66   0.00600  1.0 3.0
   54    57    62    74  -0.01750  1.0 1.0
   54    57    62    74  -0.32000 -1.0 2.0
   54    57    62    74   0.00600  1.0 3.0
   54    57    63    64   7.00000 -1.0 2.0
   54    57    63    65   7.00000 -1.0 2.0
   55    54    57    62  -0.52200  1.0 1.0
   55    54    57    62   0.82950 -1.0 2.0
   55    54    57    63   1.00000 -1.0 2.0
   57    62    66    67   3.62500 -1.0 2.0
   57    62    66    68   3.62500 -1.0 2.0
   57    62    74    72   3.62500 -1.0 2.0
   57    62    74    75   3.62500 -1.0 2.0
   62    57    63    64   7.00000 -1.0 2.0
   62    57    63    65   7.00000 -1.0 2.0
   62    66    68    69   3.62500 -1.0 2.0
   62    66    68    70   3.62500 -1.0 2.0
   66    62    74    72   3.62500 -1.0 2.0
   66    62    74    75   3.62500 -1.0 2.0
   66    68    70    71   3.62500 -1.0 2.0
   66    68   -70    72   3.62500 -1.0 2.0
   67    66    68    69   3.62500 -1.0 2.0
   67    66    68    70   3.62500 -1.0 2.0
   68    70    72    73   3.62500 -1.0 2.0
   68    70    72    74   3.62500 -1.0 2.0
   69    68    70    71   3.62500 -1.0 2.0
   69    68    70    72   3.62500 -1.0 2.0
   70    72   -74    62   3.62500 -1.0 2.0
   70    72    74    75   3.62500 -1.0 2.0
   71    70    72    73   3.62500 -1.0 2.0
   71    70    72    74   3.62500 -1.0 2.0
   73    72    74    62   3.62500 -1.0 2.0
   73    72    74    75   3.62500 -1.0 2.0
   74    62    66    67   3.62500 -1.0 2.0
   74    62   -66    68   3.62500 -1.0 2.0
   63    57    62    66   0.15800  1.0 1.0
   63    57    62    66   1.85350 -1.0 2.0
   63    57    62    66  -0.48700  1.0 3.0
   63    57    62    74   0.15800  1.0 1.0
   63    57    62    74   1.85350 -1.0 2.0
   63    57    62    74  -0.48700  1.0 3.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    35    37  10.50000 -1.0 2.0
   51    57    54    55  10.50000 -1.0 2.0
   54    62    57    63  15.00000 -1.0 2.0
   66    74    62    57   4.00000 -1.0 2.0
   68    67    66    62   1.10000 -1.0 2.0
   70    69    68    66   1.10000 -1.0 2.0
   72    71    70    68   1.10000 -1.0 2.0
   74    73    72    70   1.10000 -1.0 2.0
   72    75    74    62   1.10000 -1.0 2.0
   64    65    63    57  15.00000 -1.0 2.0
END
