* LIGAND DATABASE FILE (OPLS2005)
*
001      72    75    142    225     411
    1     0 S   NP   _N1_     1    28.11214    97.18247   -23.36639
    2     1 S   H    _HN1     2     1.02777   109.55253  -111.87003
    3     1 S   H    _H1_     3     1.02957    73.26018    -7.87836
    4     1 S   H    _H2_     4     1.02835    35.35623   154.53064
    5     1 S   CT   _CA1     5     1.50144   133.71390    94.58618
    6     5 S   HC   _HA1     6     1.09576   105.19445    91.58547
    7     5 S   CO3  _C1_     7     1.53769   112.32036   -28.56420
    8     7 S   O2Z  _O11     8     1.26368   114.98981   -44.42491
    9     7 S   O2Z  _O12     9     1.26229   114.92262   134.54474
   10     5 S   CT   _CB1    10     1.53083   107.40465  -150.54282
   11    10 S   HC   HB11    11     1.09831   109.28128   -50.43783
   12    10 S   HC   HB12    12     1.09815   110.45124    66.09462
   13    10 S   CT   _CG1    13     1.53036   112.71142  -171.49612
   14    13 S   HC   HG11    14     1.09590   110.52956   -65.41450
   15    13 S   HC   HG12    15     1.09659   109.88635    53.80476
   16    13 S   C    _CD1    16     1.51857   112.22838   174.13977
   17    16 S   O    _OE1    17     1.22769   123.25312     2.60467
   18    16 S   N    _N2_    18     1.38574   111.80478  -177.35544
   19    18 S   H    _HN2    19     1.01561   119.09074     3.74021
   20    18 S   CT1  _CA2    20     1.45802   122.75247   177.48238
   21    20 S   HC   _HA2    21     1.09738   108.84460    26.00632
   22    20 S   C    _C2_    22     1.52990   107.13244   -90.94478
   23    22 S   O    _O2_    23     1.22972   123.11447   -25.51862
   24    20 S   CT   _CB2    32     1.53181   112.39386   149.16980
   25    24 S   HC   HB21    33     1.09599   110.35945    54.46886
   26    24 S   HC   HB22    34     1.09474   109.90447   173.34566
   27    22 S   N    _N3_    24     1.38516   112.51148   157.20481
   28    27 S   H    _HN3    25     1.01656   120.31865    -2.40118
   29    24 S   S    _SG2    35     1.82596   111.30042   -66.25019
   30    27 S   CT   _CA3    26     1.45354   122.53834   178.48988
   31    30 S   HC   HA31    27     1.09568   107.93182   -53.35921
   32    30 S   HC   HA32    28     1.09562   107.51255    63.00175
   33    29 S   CT   _C10    36     1.84467    99.42195  -179.57022
   34    33 S   HC   _H3_    37     1.10059   106.28368   -45.55256
   35    30 S   CO3  _C3_    29     1.52900   114.28617  -175.30614
   36    35 S   O2Z  _O31    30     1.26341   116.04950     1.12709
   37    35 S   O2Z  _O32    31     1.26432   114.41750  -178.94873
   38    33 S   CM   _C5_    38     1.49834   110.40202    71.62592
   39    33 S   CT   _C13    58     1.58628   112.65510  -164.68106
   40    39 S   OM   _O16    59     1.32636   108.09278    74.25893
   41    39 S   HC   _H30    60     1.09615   106.49006   -54.69332
   42    38 S   CM   _C4_    39     1.33325   126.61149  -131.72262
   43    42 S   HC   _H23    40     1.08143   124.27983     8.12533
   44    42 S   CT   _C9_    41     1.47666   111.18721  -161.46858
   45    44 S   HC   _H26    42     1.09515   109.90865  -118.80440
   46    44 S   CT   _C12    43     1.54987   115.75885   114.45077
   47    46 S   HC   _H29    44     1.09964   109.04676  -143.13216
   48    44 S   OS   _O19    70     1.43426   103.45290    -5.52538
   49    46 S   CT   _C11    45     1.53588   110.53692    97.48319
   50    49 S   HC   _H28    46     1.09681   111.14911   -43.87044
   51    38 S   CO4  _C6_    71     1.46906   125.99765    61.13420
   52    51 S   O    _O17    72     1.21822   126.45471   -16.13933
   53    49 S   CO4  _C7_    47     1.50278   102.72621  -158.58662
   54    53 S   O    _O18    48     1.22093   126.16257  -161.56128
   55    49 S   CT   _C17    66     1.52167   113.10031    81.13643
   56    55 S   HC   _H33    67     1.09573   111.40590    59.27130
   57    55 S   HC   _H34    68     1.09392   111.46954   -61.70926
   58    55 S   HC   _H35    69     1.09551   110.59161   178.37719
   59    53 S   OS   _O20    49     1.36160   109.49199    19.86703
   60    46 S   CT   _C14    50     1.54283   118.82403   -18.59666
   61    60 S   HC   _H31    51     1.09397   112.36456    41.37877
   62    60 S   CT   _C8_    52     1.53592   118.15694   -89.10418
   63    62 S   HC   _H24    53     1.09932   108.25066  -160.98417
   64    62 S   HC   _H25    54     1.09823   108.85033   -48.53818
   65    62 S   C3T  _C16    55     1.51141   116.15039    76.65447
   66    65 S   C3T  _C15    56     1.54824   118.77399    52.83976
   67    66 S   HC   _H32    57     1.08587   118.40705    -3.25329
   68    65 S   CT   _C18    62     1.50527   114.63377  -117.40598
   69    68 S   HC   _H36    63     1.09168   113.40706   175.33536
   70    68 S   HC   _H37    64     1.09330   110.95046    53.10082
   71    68 S   HC   _H38    65     1.09620   109.70733   -65.04424
   72    65 S   O3T  _O21    61     1.44790   113.86868   116.50405
  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  12  10   5   4  10   5  14   6  18   9   4
  11   8   1   1   9   3   5   2   1   1   6   8   4  10   5   4
   7   6   2   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    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    42    66    39    40    41    51  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    42    43    44    65    66    67    39    40    41    72    48    51    52  
   38    42    66    39    40    41    51  
   36    37  
   37  
    0  
   42    43    44    45    46    66    39    40    41    48    51    52  
   40    41    72    68    51    42    62    65    66    67  
   41    72    65    66    67  
   72    65    66    67  
   43    44    45    46    47    49    60    48    51    52  
   44    45    46    48    51  
   45    46    47    49    50    53    59    60    61    62    55    48    51    52  
   46    47    49    60    48    51  
   47    49    50    53    54    59    60    61    62    63    64    65    55    56    57    58    48    51  
   49    50    53    59    60    61    62    55    48  
   51    52    49    60  
   50    53    54    59    60    61    62    55    56    57    58  
   53    54    59    60    55    56    57    58  
   52  
    0  
   54    59    60    61    62    55    56    57    58  
   59    60    55  
   56    57    58    59    60  
   57    58  
   58  
    0  
   60    61    62    63    64    65  
   61    62    63    64    65    66    72    68  
   62    63    64    65  
   63    64    65    66    67    72    68    69    70    71  
   64    65    66    72    68  
   65    66    72    68  
   66    67    72    68    69    70    71  
   67    72    68    69    70    71  
   72    68  
   69    70    71    72  
   70    71    72  
   71    72  
   72  
    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   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   39   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   41   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   43   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   44   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   49   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   50   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   51   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   53   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   54   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   55   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   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   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   60   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   66   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   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   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   72   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
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   317.000  1.510
   33    39   268.000  1.529
   38    42   549.000  1.340
   38    51   320.000  1.462
   42    43   340.000  1.080
   42    44   317.000  1.510
   44    45   340.000  1.090
   44    46   268.000  1.529
   44    48   320.000  1.410
   46    47   340.000  1.090
   46    49   268.000  1.529
   46    60   268.000  1.529
   49    50   340.000  1.090
   49    53   317.000  1.522
   49    55   268.000  1.529
   53    54   570.000  1.229
   53    59   214.000  1.327
   59    60   320.000  1.410
   60    61   340.000  1.090
   60    62   268.000  1.529
   62    63   340.000  1.090
   62    64   340.000  1.090
   62    65   275.000  1.510
   65    66   260.000  1.509
   65    72   335.000  1.432
   65    68   275.000  1.510
   66    67   340.000  1.088
   66    39   275.000  1.510
   66    72   335.000  1.432
   39    40   570.000  1.307
   39    41   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   55    56   340.000  1.090
   55    57   340.000  1.090
   55    58   340.000  1.090
   48    51   214.000  1.327
   51    52   570.000  1.229
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  112.20000
   29    33    39    75.00000  111.63000
   33    38    42    70.00000  124.00000
   33    38    51    65.00000  116.34900
   33    39    66    70.00000  112.37300
   33    39    40    50.00000  109.50000
   33    39    41    37.50000  110.70000
   38    33    34    35.00000  109.50000
   38    42    43    35.00000  120.00000
   38    42    44    70.00000  124.00000
   38    51    48    90.00000  111.29400
   38    51    52    80.00000  123.72100
   42    44    45    35.00000  109.50000
   42    44    46    70.00000  112.02700
   42    44    48    85.00000  110.90400
   44    42    43    35.00000  117.00000
   44    46    47    37.50000  110.70000
   44    46    49    58.35000  112.70000
   44    46    60    58.35000  112.70000
   44    48    51    83.00000  116.90000
   46    44    45    37.50000  110.70000
   46    49    50    37.50000  110.70000
   46    49    53    63.00000  111.10000
   46    49    55    58.35000  112.70000
   46    60    59    50.00000  109.50000
   46    60    61    37.50000  110.70000
   46    60    62    58.35000  112.70000
   49    46    47    37.50000  110.70000
   49    53    54    80.00000  120.40000
   49    53    59    81.00000  111.40000
   49    55    56    37.50000  110.70000
   49    55    57    37.50000  110.70000
   49    55    58    37.50000  110.70000
   53    49    50    35.00000  109.50000
   53    59    60    83.00000  116.90000
   59    53    54    83.00000  123.40000
   59    60    61    35.00000  109.50000
   59    60    62    50.00000  109.50000
   60    46    47    37.50000  110.70000
   60    46    49    58.35000  112.70000
   60    62    63    37.50000  110.70000
   60    62    64    37.50000  110.70000
   60    62    65    70.00000  112.37300
   62    60    61    37.50000  110.70000
   62    65    66    60.00000  120.94000
   62    65    72    80.00000  116.47100
   62    65    68    58.35000  112.70000
   64    62    63    33.00000  107.80000
   65    62    63    45.00000  109.38400
   65    62    64    45.00000  109.38400
   65    66    67    37.50000  117.20000
   65    66    39    60.00000  120.94000
   65    66    72    15.00000   60.43100
   65    72    66    15.00000   59.14900
   65    68    69    45.00000  109.38400
   65    68    70    45.00000  109.38400
   65    68    71    45.00000  109.38400
   66    39    40    50.00000  109.50000
   66    39    41    45.00000  109.38400
   39    33    34    37.50000  110.70000
   39    33    38    70.00000  112.02700
   39    66    67    40.00000  115.04500
   41    39    40    45.00000  125.66300
   72    65    66    15.00000   60.43100
   72    66    67    50.00000  114.27700
   72    66    39    80.00000  116.47100
   68    65    66    60.00000  120.94000
   68    65    72    80.00000  116.47100
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   55    49    50    37.50000  110.70000
   55    49    53    63.00000  111.10000
   57    55    56    33.00000  107.80000
   58    55    56    33.00000  107.80000
   58    55    57    33.00000  107.80000
   48    44    45    35.00000  109.50000
   48    44    46    50.00000  109.50000
   48    51    52    83.00000  123.40000
   51    38    42    65.00000  118.96000
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  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    39   0.01700  1.0 1.0
   24    29    33    39  -0.23550 -1.0 2.0
   24    29    33    39   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    42   0.42700  1.0 1.0
   29    33    38    42  -0.70350 -1.0 2.0
   29    33    38    42  -0.43150  1.0 3.0
   29    33    38    51   0.09700  1.0 1.0
   29    33    38    51   0.15600 -1.0 2.0
   29    33    38    51  -0.50800  1.0 3.0
   29    33    39    66   0.44750  1.0 1.0
   29    33    39    66  -0.17800 -1.0 2.0
   29    33    39    66   0.20200  1.0 3.0
   29    33    39    40   0.56750  1.0 1.0
   29    33    39    40  -0.07550 -1.0 2.0
   29    33    39    40   0.20000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   33    38    42    43   7.00000 -1.0 2.0
   33    38    42    44   7.00000 -1.0 2.0
   33    38    51    48  -0.15000  1.0 1.0
   33    38    51    48   0.89550 -1.0 2.0
   33    38    51    48  -0.06900  1.0 3.0
   33    38    51    52  -0.64400  1.0 1.0
   33    38    51    52   0.26850 -1.0 2.0
   34    33    38    42   0.00000  1.0 1.0
   34    33    38    51   0.15000  1.0 3.0
   34    33    39    66   0.15000  1.0 3.0
   34    33    39    40   0.23400  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   38    33    39    66   0.34400  1.0 1.0
   38    33    39    66   0.09450 -1.0 2.0
   38    33    39    66   0.11100  1.0 3.0
   38    33    39    40   0.61850  1.0 1.0
   38    33    39    40  -0.22750 -1.0 2.0
   38    33    39    40   0.15300  1.0 3.0
   38    33    39    41   0.15000  1.0 3.0
   38    42    44    45   0.00000  1.0 1.0
   38    42    44    46   0.09850  1.0 1.0
   38    42    44    46   0.15250 -1.0 2.0
   38    42    44    46  -0.50650  1.0 3.0
   38    42   -44    48   0.39000  1.0 1.0
   38    42   -44    48  -0.05800 -1.0 2.0
   38    42   -44    48  -0.55150  1.0 3.0
   42    38   -51    48  -0.56150  1.0 1.0
   42    38   -51    48   2.19150 -1.0 2.0
   42    38    51    52   1.00000 -1.0 2.0
   42    44    46    47   0.15000  1.0 3.0
   42    44    46    49   0.34400  1.0 1.0
   42    44    46    49   0.09450 -1.0 2.0
   42    44    46    49   0.11100  1.0 3.0
   42    44    46    60   0.34400  1.0 1.0
   42    44    46    60   0.09450 -1.0 2.0
   42    44    46    60   0.11100  1.0 3.0
   42    44   -48    51  -0.82050  1.0 1.0
   42    44   -48    51   0.00600 -1.0 2.0
   42    44   -48    51   0.04400  1.0 3.0
   43    42    44    45   0.33100  1.0 3.0
   43    42    44    46   0.00000  1.0 1.0
   43    42    44    48   0.00000  1.0 1.0
   44    46    49    50   0.15000  1.0 3.0
   44    46    49    53  -0.95700  1.0 1.0
   44    46    49    53  -0.18200 -1.0 2.0
   44    46    49    53   0.29450  1.0 3.0
   44    46    49    55   0.56750  1.0 1.0
   44    46    49    55  -0.07550 -1.0 2.0
   44    46    49    55   0.20000  1.0 3.0
   44    46    60    59   0.62750  1.0 1.0
   44    46    60    59  -0.30950 -1.0 2.0
   44    46    60    59   0.27300  1.0 3.0
   44    46    60    61   0.15000  1.0 3.0
   44    46    60    62   0.56750  1.0 1.0
   44    46    60    62  -0.07550 -1.0 2.0
   44    46    60    62   0.20000  1.0 3.0
   44    48   -51    38   2.00000 -1.0 2.0
   44    48    51    52   3.00000 -1.0 2.0
   45    44    46    47   0.15000  1.0 3.0
   45    44    46    49   0.15000  1.0 3.0
   45    44    46    60   0.15000  1.0 3.0
   45    44    48    51   0.08050  1.0 3.0
   46    44    48    51  -0.25900  1.0 1.0
   46    44    48    51  -0.47000 -1.0 2.0
   46    44    48    51   0.11750  1.0 3.0
   46    49    53    54   0.30150 -1.0 2.0
   46    49   -53    59   0.36750  1.0 3.0
   46    49    55    56   0.15000  1.0 3.0
   46    49    55    57   0.15000  1.0 3.0
   46    49    55    58   0.15000  1.0 3.0
   46    60    62    63   0.15000  1.0 3.0
   46    60    62    64   0.15000  1.0 3.0
   46    60    62    65   0.47050  1.0 1.0
   46    60    62    65   0.03900 -1.0 2.0
   46    60    62    65   0.20100  1.0 3.0
   47    46    49    50   0.15000  1.0 3.0
   47    46    49    53  -0.11250  1.0 3.0
   47    46    49    55   0.15000  1.0 3.0
   47    46    60    59   0.23400  1.0 3.0
   47    46    60    61   0.15000  1.0 3.0
   47    46    60    62   0.15000  1.0 3.0
   49    46   -60    59   0.62750  1.0 1.0
   49    46   -60    59  -0.30950 -1.0 2.0
   49    46   -60    59   0.27300  1.0 3.0
   49    46    60    61   0.15000  1.0 3.0
   49    46    60    62   0.56750  1.0 1.0
   49    46    60    62  -0.07550 -1.0 2.0
   49    46    60    62   0.20000  1.0 3.0
   49    53   -59    60   1.63150  1.0 1.0
   49    53   -59    60   2.92000 -1.0 2.0
   50    49    53    54   0.00000  1.0 1.0
   50    49    53    59   0.00000  1.0 1.0
   50    49    55    56   0.15000  1.0 3.0
   50    49    55    57   0.15000  1.0 3.0
   50    49    55    58   0.15000  1.0 3.0
   53    49    55    56  -0.11250  1.0 3.0
   53    49    55    57  -0.11250  1.0 3.0
   53    49    55    58  -0.11250  1.0 3.0
   53    59   -60    46  -0.25900  1.0 1.0
   53    59   -60    46  -0.47000 -1.0 2.0
   53    59   -60    46   0.11750  1.0 3.0
   53    59    60    61   0.08050  1.0 3.0
   53    59    60    62  -0.25900  1.0 1.0
   53    59    60    62  -0.47000 -1.0 2.0
   53    59    60    62   0.11750  1.0 3.0
   54    53    59    60   3.00000 -1.0 2.0
   59    60    62    63   0.23400  1.0 3.0
   59    60    62    64   0.23400  1.0 3.0
   59    60    62    65  -0.26800  1.0 1.0
   59    60    62    65   0.69150 -1.0 2.0
   59    60    62    65  -0.48750  1.0 3.0
   60    46    49    50   0.15000  1.0 3.0
   60    46   -49    53  -0.95700  1.0 1.0
   60    46   -49    53  -0.18200 -1.0 2.0
   60    46   -49    53   0.29450  1.0 3.0
   60    46    49    55   0.56750  1.0 1.0
   60    46    49    55  -0.07550 -1.0 2.0
   60    46    49    55   0.20000  1.0 3.0
   60    62    65    66   0.07850  1.0 1.0
   60    62    65    66  -0.03950 -1.0 2.0
   60    62    65    66   0.67350  1.0 3.0
   60    62    65    72   0.02550  1.0 1.0
   60    62    65    72  -0.02600 -1.0 2.0
   60    62    65    72   1.20400  1.0 3.0
   60    62    65    68   0.56750  1.0 1.0
   60    62    65    68  -0.07550 -1.0 2.0
   60    62    65    68   0.20000  1.0 3.0
   61    60    62    63   0.15000  1.0 3.0
   61    60    62    64   0.15000  1.0 3.0
   61    60    62    65   0.15000  1.0 3.0
   62    65    66    67   0.15000  1.0 3.0
   62    65    66    39   0.56750  1.0 1.0
   62    65    66    39  -0.07550 -1.0 2.0
   62    65    66    39   0.20000  1.0 3.0
   62    65   -66    72   0.02550  1.0 1.0
   62    65   -66    72  -0.02600 -1.0 2.0
   62    65   -66    72   1.20400  1.0 3.0
   62    65   -72    66   0.06250  1.0 1.0
   62    65   -72    66  -0.01100 -1.0 2.0
   62    65   -72    66   0.28050  1.0 3.0
   62    65    68    69   0.15000  1.0 3.0
   62    65    68    70   0.15000  1.0 3.0
   62    65    68    71   0.15000  1.0 3.0
   63    62    65    66   0.15000  1.0 3.0
   63    62    65    72   0.23400  1.0 3.0
   63    62    65    68   0.15000  1.0 3.0
   64    62    65    66   0.15000  1.0 3.0
   64    62    65    72   0.23400  1.0 3.0
   64    62    65    68   0.15000  1.0 3.0
   65    66    39    33   0.07850  1.0 1.0
   65    66    39    33  -0.03950 -1.0 2.0
   65    66    39    33   0.67350  1.0 3.0
   65    66    39    40  -0.26800  1.0 1.0
   65    66    39    40   0.69150 -1.0 2.0
   65    66    39    40  -0.48750  1.0 3.0
   65    66    39    41   0.15000  1.0 3.0
   66    65    68    69   0.15000  1.0 3.0
   66    65    68    70   0.15000  1.0 3.0
   66    65    68    71   0.15000  1.0 3.0
   67    66    39    33   0.15000  1.0 3.0
   67    66    39    40   0.23400  1.0 3.0
   67    66    39    41   0.15000  1.0 3.0
   67    66   -72    65   0.36800  1.0 3.0
   39    33    38    42   0.09850  1.0 1.0
   39    33    38    42   0.15250 -1.0 2.0
   39    33    38    42  -0.50650  1.0 3.0
   39    33    38    51   0.09700  1.0 1.0
   39    33    38    51   0.15600 -1.0 2.0
   39    33    38    51  -0.50800  1.0 3.0
   39    66   -72    65   0.06250  1.0 1.0
   39    66   -72    65  -0.01100 -1.0 2.0
   39    66   -72    65   0.28050  1.0 3.0
   72    65   -66    67   0.23400  1.0 3.0
   72    65   -66    39   0.02550  1.0 1.0
   72    65   -66    39  -0.02600 -1.0 2.0
   72    65   -66    39   1.20400  1.0 3.0
   72    65    68    69   0.23400  1.0 3.0
   72    65    68    70   0.23400  1.0 3.0
   72    65    68    71   0.23400  1.0 3.0
   72    66    39    33   0.02550  1.0 1.0
   72    66    39    33  -0.02600 -1.0 2.0
   72    66    39    33   1.20400  1.0 3.0
   72    66    39    40   1.11900  1.0 1.0
   72    66    39    40  -1.16350 -1.0 2.0
   72    66    39    40  -0.34150  1.0 3.0
   72    66    39    41   0.23400  1.0 3.0
   68    65    66    67   0.15000  1.0 3.0
   68    65    66    39   0.56750  1.0 1.0
   68    65    66    39  -0.07550 -1.0 2.0
   68    65    66    39   0.20000  1.0 3.0
   68    65   -66    72   0.02550  1.0 1.0
   68    65   -66    72  -0.02600 -1.0 2.0
   68    65   -66    72   1.20400  1.0 3.0
   68    65   -72    66   0.06250  1.0 1.0
   68    65   -72    66  -0.01100 -1.0 2.0
   68    65   -72    66   0.28050  1.0 3.0
   55    49    53    54   0.30150 -1.0 2.0
   55    49    53    59   0.36750  1.0 3.0
   48    44    46    47   0.23400  1.0 3.0
   48    44    46    49   0.62750  1.0 1.0
   48    44    46    49  -0.30950 -1.0 2.0
   48    44    46    49   0.27300  1.0 3.0
   48    44    46    60   0.62750  1.0 1.0
   48    44    46    60  -0.30950 -1.0 2.0
   48    44    46    60   0.27300  1.0 3.0
   51    38    42    43   7.00000 -1.0 2.0
   51    38   -42    44   7.00000 -1.0 2.0
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
   33    51    38    42   1.10000 -1.0 2.0
   44    43    42    38   1.10000 -1.0 2.0
   49    59    53    54  10.50000 -1.0 2.0
   38    48    51    52  10.50000 -1.0 2.0
END
