* LIGAND DATABASE FILE (OPLS2005)
*
001      76    77    138    205     391
    1     0 S   NP   _N1_     1    28.71591    94.58848   -21.01560
    2     1 S   H    _HN1     2     1.02962    92.15519    29.07044
    3     1 S   H    _H1_     3     1.02840    31.49763   149.12857
    4     1 S   H    _H2_     4     1.02781    87.27493   -79.14508
    5     1 S   CT   _CA1     5     1.50085   142.06734   157.16538
    6     5 S   HC   _HA1     6     1.09577   105.29159    54.82264
    7     5 S   CO3  _C1_     7     1.53787   112.25320   -65.47902
    8     7 S   O2Z  _O11     8     1.26346   115.04569   -47.40820
    9     7 S   O2Z  _O12     9     1.26211   114.87308   131.75384
   10     5 S   CT   _CB1    10     1.53071   107.44364   172.74704
   11    10 S   HC   HB11    11     1.09824   109.44148   -50.53475
   12    10 S   HC   HB12    12     1.09821   110.40041    66.02585
   13    10 S   CT   _CG1    13     1.52996   112.62216  -171.60932
   14    13 S   HC   HG11    14     1.09599   110.46704   -60.96935
   15    13 S   HC   HG12    15     1.09609   110.01303    58.36061
   16    13 S   C    _CD1    16     1.51731   112.18628   178.51813
   17    16 S   O    _OE1    17     1.22725   123.23035    -6.19096
   18    16 S   N    _N2_    18     1.38603   111.68169   173.98546
   19    18 S   H    _HN2    19     1.01616   119.02126     1.53786
   20    18 S   CT1  _CA2    20     1.46212   123.23728  -178.00012
   21    20 S   HC   _HA2    21     1.09714   109.37150   -12.62826
   22    20 S   C    _C2_    22     1.53411   108.43728  -128.58784
   23    22 S   O    _O2_    23     1.23020   122.11184  -147.52880
   24    20 S   CT   _CB2    32     1.53521   111.47944   109.40992
   25    24 S   HC   HB21    33     1.09153   109.18246    60.08392
   26    24 S   HC   HB22    34     1.09528   110.23517   177.90707
   27    22 S   N    _N3_    24     1.38457   113.47016    39.69666
   28    27 S   H    _HN3    25     1.01530   118.89129    -0.55355
   29    24 S   S    _SG2    35     1.82795   111.84116   -62.56611
   30    27 S   CT   _CA3    26     1.45457   123.57805   175.34263
   31    30 S   HC   HA31    27     1.09513   109.37964    21.21166
   32    30 S   HC   HA32    28     1.09499   107.07472   138.24634
   33    29 S   CT   _C11    36     1.86052   102.09485   152.88564
   34    30 S   CO3  _C3_    29     1.52920   113.04361  -102.36423
   35    34 S   O2Z  _O31    30     1.26406   115.37680   -44.04563
   36    34 S   O2Z  _O32    31     1.26347   114.98336   136.85575
   37    33 S   CT1  _C9_    37     1.54402   110.84847   -82.92098
   38    37 S   HC   _H27    38     1.10124   109.53549   -37.55983
   39    33 S   CT   _C14    68     1.54266   112.74405    48.03666
   40    39 S   HC   _H35    69     1.09544   111.00986   -67.04107
   41    39 S   HC   _H36    70     1.09542   111.24780   173.52916
   42    37 S   N4   _N14    39     1.45682   106.84979  -148.22037
   43    37 S   CO4  _C5_    55     1.52041   117.17652    83.56967
   44    43 S   O    _O17    56     1.22279   125.33565    73.11037
   45    39 S   OS   _O23    71     1.44192   110.72757    53.31122
   46    42 S   C4   _C4_    40     1.36664   129.59189   -75.33193
   47    46 S   O    _O16    41     1.20958   133.07032   -38.56580
   48    42 S   C4T  _C10    44     1.47036   115.18781    44.81591
   49    48 S   HC   _H28    45     1.09391   112.92429    95.43433
   50    43 S   OS   _O21    57     1.36638   109.61999  -105.17304
   51    45 S   CO4  _C7_    72     1.36091   115.95276  -178.76790
   52    51 S   O    _O19    73     1.22495   125.51591    -0.00000
   53    46 S   C4T  _C8_    42     1.54193    91.60368   138.23190
   54    53 S   HC   _H26    43     1.10167   110.15889   101.33084
   55    33 S   S    _S25    46     1.89186   105.95386   165.92017
   56    50 S   CO   _C15    58     1.43332   115.17677   177.73264
   57    56 S   HC   _H37    59     1.09528   108.82014   -66.13094
   58    56 S   HC   _H38    60     1.09725   111.00811    53.44931
   59    51 S   N    _N15    74     1.36835   110.20989   179.94065
   60    59 S   H    _H40    75     1.01325   121.01121  -180.00000
   61    59 S   H    _H41    76     1.01330   121.04221     0.01978
   62    53 S   CT   _C16    47     1.52438   116.16676  -132.92885
   63    62 S   HC   _H39    48     1.09411   111.75604    50.51504
   64    56 S   OS   _O22    61     1.43689   111.21989   176.57349
   65    62 S   CT   _C13    49     1.52231   110.87698   173.52973
   66    65 S   HC   _H32    50     1.09593   111.03326    59.08578
   67    65 S   HC   _H33    51     1.09347   111.84338   -61.66004
   68    65 S   HC   _H34    52     1.09523   110.38443   177.25805
   69    62 S   OH   _O20    53     1.42796   108.92413   -67.14662
   70    69 S   HO   _H42    54     0.97246   108.22394   -62.58104
   71    64 S   CO4  _C6_    62     1.36323   115.62343   -79.58132
   72    71 S   O    _O18    63     1.22319   126.23247     1.37885
   73    71 S   CT   _C12    64     1.49842   109.59085  -177.65281
   74    73 S   HC   _H29    65     1.09231   110.01195   -58.20121
   75    73 S   HC   _H30    66     1.09371   109.36702  -177.23077
   76    73 S   HC   _H31    67     1.09281   109.75420    63.65254
  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  11   5   4   3
  16   2   1   1  16   8  10   4   3  11   9   2   6  10   4   8
   4   5   4   3  10   5   1   6   3   2   2   1   1   7   6   6
   5   3   2   1   1   1   5   4   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    55    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    42    48    55    43    39    40    41    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    42    46    53    48    49    55    43    44    50    39    40    41    45    51  
   35    36  
   36  
    0  
   38    42    46    47    53    48    49    55    43    44    50    56    39    40    41    45  
   42    46    48    55    43    44    50    39  
   40    41    45    51    52    59    42    43    48    55  
   41    45    51    55  
   45    51    55  
   46    47    53    54    48    49    55    62    43    44    50  
   44    50    56    57    58    64    46    48    55  
   50    56  
   51    52    59    60    61    55  
   47    53    54    48    49    55    62    63    65    69  
   53    54    48    62  
   49    55    62    63    65    69    53    54  
   55    62    53    54  
   56    57    58    64    71  
   52    59    60    61  
   59    60    61  
   54    55    62    63    65    66    67    68    69    70  
   55    62    63    65    69  
   62  
   57    58    64    71    72    73  
   58    64    71  
   64    71  
   60    61  
   61  
    0  
   63    65    66    67    68    69    70  
   65    66    67    68    69    70  
   71    72    73    74    75    76  
   66    67    68    69    70  
   67    68    69  
   68    69  
   69  
   70  
    0  
   72    73    74    75    76  
   73    74    75    76  
   74    75    76  
   75    76  
   76  
    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   0.335000   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   39   3.5000   0.0660   0.190000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   41   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   42   3.2500   0.1700  -0.445000   1.8100   1.6000   0.054801302  -1.445846770
   43   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   44   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   45   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   46   3.7500   0.1050   0.665000   1.9250   1.7000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.506500   1.5250   1.4250   0.001000000  -1.480495490
   48   3.5000   0.0660   0.219000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   50   3.0000   0.1700  -0.251400   1.7660   1.5600   0.020110767  -0.896042159
   51   3.7500   0.1050   0.632500   1.9250   1.7000   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.497000   1.8100   1.6000   0.001000000  -1.480495490
   53   3.5000   0.0660  -0.154800   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   3.6000   0.3550  -0.324000   2.0300   1.8000   0.025682759  -1.666211680
   56   3.5000   0.0660   0.142800   1.9750   1.7500   0.005000000  -0.741685710
   57   2.4200   0.0150   0.100000   1.3810   1.2100   0.008598240   0.268726247
   58   2.4200   0.0150   0.100000   1.3810   1.2100   0.008598240   0.268726247
   59   3.2500   0.1700  -0.883900   1.8100   1.6000   0.054801302  -1.445846770
   60   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   61   0.5000   0.0300   0.414200   1.5900   1.4000   0.030040813  -0.651083722
   62   3.5000   0.0660   0.263800   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.0000   0.1700  -0.251400   1.7660   1.5600   0.020110767  -0.896042159
   65   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   70   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   71   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   72   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   73   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   75   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   76   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    34   317.000  1.522
   34    35   656.000  1.250
   34    36   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    37   268.000  1.529
   33    55   222.000  1.810
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    42   337.000  1.449
   37    43   255.000  1.522
   42    46   440.000  1.369
   42    48   305.000  1.456
   46    47   930.000  1.212
   46    53   250.000  1.540
   53    54   340.000  1.090
   53    48   268.000  1.529
   53    62   260.000  1.519
   48    49   340.000  1.090
   48    55   200.000  1.824
   62    63   340.000  1.090
   62    65   268.000  1.529
   62    69   320.000  1.410
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
   69    70   553.000  0.945
   43    44   570.000  1.229
   43    50   214.000  1.327
   50    56   320.000  1.380
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    64   320.000  1.380
   64    71   214.000  1.327
   71    72   570.000  1.229
   71    73   317.000  1.522
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    76   340.000  1.090
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    45   320.000  1.410
   45    51   214.000  1.327
   51    52   570.000  1.229
   51    59   435.000  1.380
   59    60   434.000  1.010
   59    61   434.000  1.010
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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    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    37    75.00000  108.68000
   29    33    55    75.00000  118.28000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    42    80.00000  109.70000
   33    37    43    70.00000  110.61500
   33    55    48    85.00000   99.86700
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    45    50.00000  109.50000
   37    42    46    50.00000  132.10000
   37    42    48    50.00000  132.70000
   37    43    44    75.00000  123.42600
   37    43    50    90.00000  109.72300
   42    37    38    35.00000  109.50000
   42    46    47    75.00000  131.60000
   42    46    53    95.00000   92.72400
   42    48    53   105.00000   87.49700
   42    48    49    50.00000  112.01000
   42    48    55    80.00000  108.62000
   46    53    54    40.00000  113.37500
   46    53    48   100.00000   86.36000
   46    53    62    63.00000  111.10000
   53    46    47    60.00000  136.58000
   53    48    49    37.50000  110.70000
   53    48    55    65.00000  119.05700
   53    62    63    45.00000  111.22300
   53    62    65    70.00000  112.98000
   53    62    69    50.00000  109.50000
   48    42    46   100.00000   93.00000
   48    53    54    37.50000  110.70000
   55    33    37    75.00000  108.68000
   55    48    49    45.00000  109.41400
   62    53    54    45.00000  112.72800
   62    53    48    65.00000  119.52000
   62    65    66    37.50000  110.70000
   62    65    67    37.50000  110.70000
   62    65    68    37.50000  110.70000
   62    69    70    55.00000  108.50000
   65    62    63    37.50000  110.70000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
   69    62    63    35.00000  109.50000
   69    62    65    50.00000  109.50000
   43    37    38    45.00000  110.09800
   43    37    42    80.00000  110.29000
   43    50    56    95.00000  111.08000
   50    43    44    83.00000  123.40000
   50    56    57    35.00000  109.50000
   50    56    58    35.00000  109.50000
   50    56    64    92.60000  111.55000
   56    64    71    95.00000  111.08000
   58    56    57    33.00000  109.50000
   64    56    57    35.00000  109.50000
   64    56    58    35.00000  109.50000
   64    71    72    83.00000  123.40000
   64    71    73    81.00000  111.40000
   71    73    74    35.00000  109.50000
   71    73    75    35.00000  109.50000
   71    73    76    35.00000  109.50000
   73    71    72    80.00000  120.40000
   75    73    74    33.00000  107.80000
   76    73    74    33.00000  107.80000
   76    73    75    33.00000  107.80000
   39    33    37    58.35000  112.70000
   39    33    55    75.00000  111.63000
   39    45    51    83.00000  116.90000
   41    39    40    33.00000  107.80000
   45    39    40    35.00000  109.50000
   45    39    41    35.00000  109.50000
   45    51    52    83.00000  123.40000
   45    51    59   110.00000  108.75700
   51    59    60    50.00000  116.34900
   51    59    61    50.00000  116.34900
   59    51    52    85.00000  125.96000
   61    59    60    35.00000  120.00000
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -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    34    35   0.00000  1.0 1.0
   27    30    34    36   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    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   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    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    55   0.08500  1.0 1.0
   24    29    33    55  -0.53150 -1.0 2.0
   24    29    33    55   0.48050  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    37    38   0.15000  1.0 3.0
   29    33    37    42   0.71400  1.0 1.0
   29    33    37    42   0.04300 -1.0 2.0
   29    33    37    42   0.01450  1.0 3.0
   29    33    37    43  -2.17200  1.0 1.0
   29    33    37    43  -0.85700 -1.0 2.0
   29    33    55    48   0.08500  1.0 1.0
   29    33    55    48  -0.53150 -1.0 2.0
   29    33    55    48   0.48050  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    45   0.56750  1.0 1.0
   29    33    39    45  -0.07550 -1.0 2.0
   29    33    39    45   0.20000  1.0 3.0
   33    37    42    46   0.00000  1.0 1.0
   33    37   -42    48   0.00000  1.0 1.0
   33    37    43    44   0.00000  1.0 1.0
   33    37    43    50   0.36750  1.0 3.0
   33    39    45    51  -0.25900  1.0 1.0
   33    39    45    51  -0.47000 -1.0 2.0
   33    39    45    51   0.11750  1.0 3.0
   37    33   -55    48  -0.25000 -1.0 2.0
   37    33   -55    48  -0.01800  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    45   0.62750  1.0 1.0
   37    33    39    45  -0.30950 -1.0 2.0
   37    33    39    45   0.27300  1.0 3.0
   37    42    46    47   3.00000 -1.0 2.0
   37    42    46    53   3.00000 -1.0 2.0
   37    42   -48    53   0.00000  1.0 1.0
   37    42    48    49   0.00000  1.0 1.0
   37    42   -48    55   0.00000  1.0 1.0
   37    43    50    56   1.63150  1.0 1.0
   37    43    50    56   2.92000 -1.0 2.0
   38    37    42    46   0.00000  1.0 1.0
   38    37    42    48   0.00000  1.0 1.0
   38    37    43    44   0.00000  1.0 1.0
   38    37    43    50   0.00000  1.0 1.0
   42    37    43    44   0.00000  1.0 1.0
   42    37    43    50   0.40000  1.0 3.0
   42    46    53    54   0.00000  1.0 1.0
   42    46   -53    48   3.00000 -1.0 2.0
   42    46    53    62   1.39750  1.0 1.0
   42    46    53    62  -0.07950 -1.0 2.0
   42    46    53    62  -0.18750  1.0 3.0
   42    48   -55    33   0.01700  1.0 1.0
   42    48   -55    33  -0.23550 -1.0 2.0
   42    48   -55    33   0.21350  1.0 3.0
   46    42   -48    53   0.00000  1.0 1.0
   46    42    48    49   0.00000  1.0 1.0
   46    42    48    55   0.00000  1.0 1.0
   46    53   -48    42   3.00000 -1.0 2.0
   46    53   -48    49   0.15000  1.0 3.0
   46    53   -48    55   0.00000  1.0 1.0
   46    53    62    63  -0.11250  1.0 3.0
   46    53    62    65  -0.95700  1.0 1.0
   46    53    62    65  -0.18200 -1.0 2.0
   46    53    62    65   0.29450  1.0 3.0
   46    53    62    69  -0.09450  1.0 1.0
   46    53    62    69  -1.12950 -1.0 2.0
   46    53    62    69   0.54000  1.0 3.0
   47    46    53    54   0.00000  1.0 1.0
   47    46    53    48  -0.11250  1.0 1.0
   47    46    53    48   0.11400 -1.0 2.0
   47    46    53    48  -0.28950  1.0 3.0
   47    46    53    62   0.30150 -1.0 2.0
   53    48    55    33   0.25150  1.0 1.0
   53    48    55    33  -1.17200 -1.0 2.0
   53    48    55    33   0.53050  1.0 3.0
   53    62    65    66   0.15000  1.0 3.0
   53    62    65    67   0.15000  1.0 3.0
   53    62    65    68   0.15000  1.0 3.0
   53    62    69    70  -0.11600  1.0 1.0
   53    62    69    70  -0.09450 -1.0 2.0
   53    62    69    70   0.21250  1.0 3.0
   54    53   -48    42   0.15000  1.0 3.0
   54    53    48    49   0.15000  1.0 3.0
   54    53    48    55   0.00000  1.0 1.0
   54    53    62    63   0.15000  1.0 3.0
   54    53    62    65   0.15000  1.0 3.0
   54    53    62    69   0.23400  1.0 3.0
   48    42   -46    47   3.00000 -1.0 2.0
   48    42   -46    53   3.00000 -1.0 2.0
   48    53    62    63   0.00000  1.0 1.0
   48    53    62    65   0.04050  1.0 1.0
   48    53    62    65   0.63700 -1.0 2.0
   48    53    62    65   0.17650  1.0 3.0
   48    53    62    69   0.86500  1.0 1.0
   48    53    62    69  -0.17500 -1.0 2.0
   48    53    62    69   0.20800  1.0 3.0
   49    48    55    33   0.00000  1.0 1.0
   55    33    37    38   0.15000  1.0 3.0
   55    33   -37    42   0.71400  1.0 1.0
   55    33   -37    42   0.04300 -1.0 2.0
   55    33   -37    42   0.01450  1.0 3.0
   55    33    37    43  -2.17200  1.0 1.0
   55    33    37    43  -0.85700 -1.0 2.0
   55    33    39    40   0.15000  1.0 3.0
   55    33    39    41   0.15000  1.0 3.0
   55    33    39    45   0.56750  1.0 1.0
   55    33    39    45  -0.07550 -1.0 2.0
   55    33    39    45   0.20000  1.0 3.0
   62    53   -48    42   0.43900  1.0 1.0
   62    53   -48    42   0.49100 -1.0 2.0
   62    53   -48    42   0.28400  1.0 3.0
   62    53    48    49   0.15000  1.0 3.0
   62    53    48    55   0.44750  1.0 1.0
   62    53    48    55  -0.17800 -1.0 2.0
   62    53    48    55   0.20200  1.0 3.0
   63    62    65    66   0.15000  1.0 3.0
   63    62    65    67   0.15000  1.0 3.0
   63    62    65    68   0.15000  1.0 3.0
   63    62    69    70   0.19450  1.0 3.0
   65    62    69    70  -0.11600  1.0 1.0
   65    62    69    70  -0.09450 -1.0 2.0
   65    62    69    70   0.21250  1.0 3.0
   69    62    65    66   0.23400  1.0 3.0
   69    62    65    67   0.23400  1.0 3.0
   69    62    65    68   0.23400  1.0 3.0
   43    37    42    46   0.00000  1.0 1.0
   43    37    42    48   0.00000  1.0 1.0
   43    50    56    57   0.08050  1.0 3.0
   43    50    56    58   0.08050  1.0 3.0
   43    50    56    64  -1.83450  1.0 1.0
   43    50    56    64  -0.02700 -1.0 2.0
   43    50    56    64  -0.20100  1.0 3.0
   44    43    50    56   3.00000 -1.0 2.0
   50    56    64    71  -1.83450  1.0 1.0
   50    56    64    71  -0.02700 -1.0 2.0
   50    56    64    71  -0.20100  1.0 3.0
   56    64    71    72   3.00000 -1.0 2.0
   56    64    71    73   1.63150  1.0 1.0
   56    64    71    73   2.92000 -1.0 2.0
   57    56    64    71   0.08050  1.0 3.0
   58    56    64    71   0.08050  1.0 3.0
   64    71    73    74   0.00000  1.0 1.0
   64    71    73    75   0.00000  1.0 1.0
   64    71    73    76   0.00000  1.0 1.0
   72    71    73    74   0.00000  1.0 1.0
   72    71    73    75   0.00000  1.0 1.0
   72    71    73    76   0.00000  1.0 1.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    42   0.42250  1.0 1.0
   39    33    37    42  -0.48100 -1.0 2.0
   39    33    37    42   0.35650  1.0 3.0
   39    33    37    43  -0.84850  1.0 1.0
   39    33    37    43  -0.22800 -1.0 2.0
   39    33    37    43   0.29250  1.0 3.0
   39    33    55    48  -0.25000 -1.0 2.0
   39    33    55    48  -0.01800  1.0 3.0
   39    45    51    52   3.00000 -1.0 2.0
   39    45    51    59  -0.80800  1.0 1.0
   39    45    51    59   2.06850 -1.0 2.0
   40    39    45    51   0.08050  1.0 3.0
   41    39    45    51   0.08050  1.0 3.0
   45    51    59    60   2.56700 -1.0 2.0
   45    51    59    61   2.56700 -1.0 2.0
   52    51    59    60   2.45000 -1.0 2.0
   52    51    59    61   2.45000 -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
   36    30    34    35  10.50000 -1.0 2.0
   48    46    42    37   1.00000 -1.0 2.0
   42    53    46    47  10.50000 -1.0 2.0
   37    50    43    44  10.50000 -1.0 2.0
   64    73    71    72  10.50000 -1.0 2.0
   45    59    51    52  10.50000 -1.0 2.0
   61    51    59    60   1.00000 -1.0 2.0
END
