* LIGAND DATABASE FILE (OPLS2005)
*
001      73    76    145    237     427
    1     0 S   NP   _N1_     1    28.76959    95.78579   -23.25681
    2     1 S   H    _HN1     2     1.02786   103.62117   -98.90944
    3     1 S   H    _H1_     3     1.02950    77.58152     7.25234
    4     1 S   H    _H2_     4     1.02829    33.34054   159.17116
    5     1 S   CT   _CA1     5     1.50108   137.50431   114.01490
    6     5 S   HC   _HA1     6     1.09572   105.20818    83.90225
    7     5 S   CO3  _C1_     7     1.53788   112.42030   -36.36826
    8     7 S   O2Z  _O11     8     1.26373   115.00893   -43.75131
    9     7 S   O2Z  _O12     9     1.26236   114.93793   135.37209
   10     5 S   CT   _CB1    10     1.53073   107.42250  -158.11400
   11    10 S   HC   HB11    11     1.09833   109.39837   -49.70446
   12    10 S   HC   HB12    12     1.09813   110.44404    66.90373
   13    10 S   CT   _CG1    13     1.52995   112.59669  -170.67142
   14    13 S   HC   HG11    14     1.09583   110.63510   -65.04999
   15    13 S   HC   HG12    15     1.09667   109.79960    54.19392
   16    13 S   C    _CD1    16     1.51794   112.18541   174.66843
   17    16 S   O    _OE1    17     1.22737   123.25110     6.70625
   18    16 S   N    _N2_    18     1.38643   111.68945  -173.41566
   19    18 S   H    _HN2    19     1.01573   119.00567     1.70226
   20    18 S   CT1  _CA2    20     1.46242   123.39089   178.08286
   21    20 S   HC   _HA2    21     1.09741   109.31864     2.89124
   22    20 S   C    _C2_    22     1.53567   108.57139  -112.56307
   23    22 S   O    _O2_    23     1.23050   122.35630  -147.79550
   24    20 S   CT   _CB2    32     1.53452   111.67710   124.78129
   25    24 S   HC   HB21    33     1.09538   109.69581    57.10009
   26    24 S   HC   HB22    34     1.09367   109.79175   175.86644
   27    22 S   N    _N3_    24     1.38359   113.68457    39.64329
   28    27 S   H    _HN3    25     1.01578   119.56574    -3.28414
   29    24 S   S    _SG2    35     1.83040   111.08763   -63.09340
   30    27 S   CT   _CA3    26     1.45282   123.21351   177.14844
   31    30 S   HC   HA31    27     1.09549   107.50595   -64.71312
   32    30 S   HC   HA32    28     1.09557   107.99079    51.72606
   33    29 S   CT   _C16    36     1.87950   101.94183  -167.28135
   34    30 S   CO3  _C3_    29     1.52960   114.08314   173.72746
   35    34 S   O2Z  _O31    30     1.26375   116.07155    -0.64801
   36    34 S   O2Z  _O32    31     1.26428   114.41159   179.41449
   37    33 S   CT   _C10    37     1.59298   109.34680  -172.42363
   38    37 S   HC   _H29    38     1.10217   105.38924   164.97406
   39    33 S   CT   _C18    70     1.54212   108.29099   -50.27012
   40    39 S   HC   _H36    71     1.09579   111.78107    74.75273
   41    39 S   HC   _H37    72     1.09474   112.47745   -45.98046
   42    39 S   HC   _H38    73     1.09621   111.30793  -165.80838
   43    37 S   CT   _C12    39     1.53295   117.76941    47.97416
   44    43 S   HC   _H31    40     1.09330   111.93642   -60.43472
   45    37 S   C3T  _C14    57     1.52158   103.72947   -83.36646
   46    43 S   CT   _C9_    41     1.52576   113.38150   173.28192
   47    46 S   HC   _H28    42     1.09867   110.43819   -38.23549
   48    45 S   C3T  _C13    58     1.50838   107.86937   -24.01427
   49    48 S   HC   _H32    59     1.07917   121.38398   147.63300
   50    46 S   CM   _C4_    43     1.49463    99.72047  -150.79791
   51    46 S   CT   _C7_    50     1.52509   113.57944    85.50653
   52    51 S   HC   _H24    51     1.09776   108.91080   170.71799
   53    51 S   HC   _H25    52     1.09671   110.85135    54.81271
   54    33 S   CT   _C11    60     1.59541   108.15068    74.62335
   55    54 S   OM   _O16    61     1.32354   112.20467  -154.63469
   56    54 S   HC   _H30    62     1.09775   108.32403   -22.78638
   57    45 S   O3T  _O19    63     1.44105   111.54613   -86.03926
   58    50 S   CO4  _C5_    44     1.47656   108.07153    26.02744
   59    58 S   O    _O17    45     1.21712   127.29741   167.87701
   60    50 S   CM   _C6_    47     1.33597   130.70124  -152.47999
   61    60 S   HC   _H22    48     1.08412   121.45984    -1.19354
   62    60 S   HC   _H23    49     1.08550   121.55700   179.08700
   63    51 S   CT   _C8_    53     1.52584   113.85906   -70.29226
   64    63 S   HC   _H26    54     1.09936   107.02295  -170.93831
   65    63 S   HC   _H27    55     1.09889   109.09158   -58.32761
   66    43 S   OS   _O18    46     1.44386   109.52998    57.16092
   67    63 S   CT   _C15    56     1.53862   117.61073    66.62054
   68    67 S   CT   _C17    64     1.53084   113.42209    55.01215
   69    68 S   HC   _H33    65     1.09642   110.56887   172.89140
   70    68 S   HC   _H34    66     1.09654   110.74355    55.50778
   71    68 S   HC   _H35    67     1.08952   113.75314   -65.74612
   72    67 S   OH   _O20    68     1.44912   104.75920   168.64214
   73    72 S   HO   _H39    69     0.97206   108.35910   -62.26248
  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  13   5   4   3
  18   2   1   1  24  10   9   3   2   1  17   7  19  15   8   9
   5  10  11   5   4   4   2   1   4   5   2   3   1   1   9   4
   3   1   6   5   3   2   1   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    54    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    45    48    54    55    56    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    46    66    67    45    48    49    54    55    56    57    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    46    47    50    58    66    51    63    67    45    48    49    54    55    56    57    68    72    39    40    41    42  
   43    44    46    66    67    45    48    54    57    39  
   40    41    42    43    45    48    54    55    56  
   41    42    54  
   42    54  
   54  
   44    46    47    50    58    59    66    60    51    52    53    63    67    45    48    54    57  
   46    47    50    58    66    51    45  
   48    49    54    55    56    57    68    69    70    71    72    73    46    51    63    64    65    66    67  
   47    50    58    59    66    60    61    62    51    52    53    63    64    65    67  
   50    58    66    60    51    52    53    63  
   49    54    55    56    57    68    72    63    67  
   54    55    56    57    67  
   58    59    66    60    61    62    51    52    53    63  
   52    53    63    64    65    67    68    72    58    60    66  
   53    63    64    65    67  
   63    64    65    67  
   55    56    57    67  
   56    57  
   57  
   68    72    63    67  
   59    66    60    61    62  
   66    60  
   61    62    66  
   62  
    0  
   64    65    67    68    69    70    71    72    73  
   65    67    68    72  
   67    68    72  
    0  
   68    69    70    71    72    73  
   69    70    71    72    73  
   70    71    72  
   71    72  
   72  
   73  
    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   0.167500   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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.220000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   45   3.5000   0.0660   0.176200   1.9750   1.7500   0.005000000  -0.741685710
   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   3.5000   0.0660   0.116200   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   55   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   56   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.9000   0.1400  -0.352400   1.5900   1.4000   0.020110767  -0.896042159
   58   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   59   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   60   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   61   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   62   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   63   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   66   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   67   3.5000   0.0660   0.265000   1.9750   1.7500   0.005000000  -0.741685710
   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   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   73   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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    54   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.090
   37    43   268.000  1.529
   37    45   275.000  1.510
   43    44   340.000  1.090
   43    46   268.000  1.529
   43    66   320.000  1.410
   46    47   340.000  1.090
   46    50   317.000  1.510
   46    51   268.000  1.529
   50    58   320.000  1.462
   50    60   549.000  1.340
   58    59   570.000  1.229
   58    66   214.000  1.327
   60    61   340.000  1.080
   60    62   340.000  1.080
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    63   268.000  1.529
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    67   268.000  1.529
   67    45   275.000  1.510
   67    68   268.000  1.529
   67    72   320.000  1.410
   45    48   260.000  1.509
   45    57   335.000  1.432
   48    49   340.000  1.088
   48    54   275.000  1.510
   48    57   335.000  1.432
   54    55   570.000  1.307
   54    56   340.000  1.090
   68    69   340.000  1.090
   68    70   340.000  1.090
   68    71   340.000  1.090
   72    73   553.000  0.945
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   340.000  1.090
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  111.63000
   29    33    54    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    37.50000  110.70000
   33    37    43    58.35000  112.70000
   33    37    45    70.00000  112.37300
   33    54    48    70.00000  112.37300
   33    54    55    50.00000  109.50000
   33    54    56    37.50000  110.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    37.50000  110.70000
   37    43    46    58.35000  112.70000
   37    43    66    50.00000  109.50000
   37    45    67    58.35000  112.70000
   37    45    48    60.00000  120.94000
   37    45    57    80.00000  116.47100
   43    37    38    37.50000  110.70000
   43    46    47    37.50000  110.70000
   43    46    50    70.00000  112.02700
   43    46    51    58.35000  112.70000
   43    66    58    83.00000  116.90000
   46    43    44    37.50000  110.70000
   46    50    58    65.00000  116.34900
   46    50    60    70.00000  124.00000
   46    51    52    37.50000  110.70000
   46    51    53    37.50000  110.70000
   46    51    63    58.35000  112.70000
   50    46    47    35.00000  109.50000
   50    58    59    80.00000  123.72100
   50    58    66    90.00000  111.29400
   50    60    61    35.00000  120.00000
   50    60    62    35.00000  120.00000
   66    43    44    35.00000  109.50000
   66    43    46    50.00000  109.50000
   66    58    59    83.00000  123.40000
   60    50    58    65.00000  118.96000
   62    60    61    35.00000  117.00000
   51    46    47    37.50000  110.70000
   51    46    50    70.00000  112.02700
   51    63    64    37.50000  110.70000
   51    63    65    37.50000  110.70000
   51    63    67    58.35000  112.70000
   53    51    52    33.00000  107.80000
   63    51    52    37.50000  110.70000
   63    51    53    37.50000  110.70000
   63    67    45    70.00000  112.37300
   63    67    68    58.35000  112.70000
   63    67    72    50.00000  109.50000
   65    63    64    33.00000  107.80000
   67    63    64    37.50000  110.70000
   67    63    65    37.50000  110.70000
   67    45    48    60.00000  120.94000
   67    45    57    80.00000  116.47100
   67    68    69    37.50000  110.70000
   67    68    70    37.50000  110.70000
   67    68    71    37.50000  110.70000
   67    72    73    55.00000  108.50000
   45    37    38    45.00000  109.38400
   45    37    43    70.00000  112.37300
   45    48    49    37.50000  117.20000
   45    48    54    60.00000  120.94000
   45    48    57    15.00000   60.43100
   45    57    48    15.00000   59.14900
   48    54    55    50.00000  109.50000
   48    54    56    45.00000  109.38400
   54    33    37    58.35000  112.70000
   54    48    49    40.00000  115.04500
   56    54    55    45.00000  125.66300
   57    45    48    15.00000   60.43100
   57    48    49    50.00000  114.27700
   57    48    54    80.00000  116.47100
   68    67    45    70.00000  112.37300
   70    68    69    33.00000  107.80000
   71    68    69    33.00000  107.80000
   71    68    70    33.00000  107.80000
   72    67    45    50.00000  109.50000
   72    67    68    50.00000  109.50000
   39    33    37    58.35000  112.70000
   39    33    54    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    33.00000  107.80000
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    54   0.01700  1.0 1.0
   24    29    33    54  -0.23550 -1.0 2.0
   24    29    33    54   0.21350  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    43   0.44750  1.0 1.0
   29    33    37    43  -0.17800 -1.0 2.0
   29    33    37    43   0.20200  1.0 3.0
   29    33    37    45   0.44750  1.0 1.0
   29    33    37    45  -0.17800 -1.0 2.0
   29    33    37    45   0.20200  1.0 3.0
   29    33    54    48   0.44750  1.0 1.0
   29    33    54    48  -0.17800 -1.0 2.0
   29    33    54    48   0.20200  1.0 3.0
   29    33    54    55   0.56750  1.0 1.0
   29    33    54    55  -0.07550 -1.0 2.0
   29    33    54    55   0.20000  1.0 3.0
   29    33    54    56   0.15000  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    42   0.15000  1.0 3.0
   33    37    43    44   0.15000  1.0 3.0
   33    37    43    46   0.56750  1.0 1.0
   33    37    43    46  -0.07550 -1.0 2.0
   33    37    43    46   0.20000  1.0 3.0
   33    37    43    66   0.62750  1.0 1.0
   33    37    43    66  -0.30950 -1.0 2.0
   33    37    43    66   0.27300  1.0 3.0
   33    37    45    67   0.56750  1.0 1.0
   33    37    45    67  -0.07550 -1.0 2.0
   33    37    45    67   0.20000  1.0 3.0
   33    37   -45    48   0.07850  1.0 1.0
   33    37   -45    48  -0.03950 -1.0 2.0
   33    37   -45    48   0.67350  1.0 3.0
   33    37    45    57   0.02550  1.0 1.0
   33    37    45    57  -0.02600 -1.0 2.0
   33    37    45    57   1.20400  1.0 3.0
   37    33   -54    48   0.47050  1.0 1.0
   37    33   -54    48   0.03900 -1.0 2.0
   37    33   -54    48   0.20100  1.0 3.0
   37    33    54    55   0.62750  1.0 1.0
   37    33    54    55  -0.30950 -1.0 2.0
   37    33    54    55   0.27300  1.0 3.0
   37    33    54    56   0.15000  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    42   0.15000  1.0 3.0
   37    43    46    47   0.15000  1.0 3.0
   37    43    46    50   0.34400  1.0 1.0
   37    43    46    50   0.09450 -1.0 2.0
   37    43    46    50   0.11100  1.0 3.0
   37    43    46    51   0.56750  1.0 1.0
   37    43    46    51  -0.07550 -1.0 2.0
   37    43    46    51   0.20000  1.0 3.0
   37    43    66    58  -0.25900  1.0 1.0
   37    43    66    58  -0.47000 -1.0 2.0
   37    43    66    58   0.11750  1.0 3.0
   37    45    48    49   0.15000  1.0 3.0
   37    45   -48    54   0.56750  1.0 1.0
   37    45   -48    54  -0.07550 -1.0 2.0
   37    45   -48    54   0.20000  1.0 3.0
   37    45   -48    57   0.02550  1.0 1.0
   37    45   -48    57  -0.02600 -1.0 2.0
   37    45   -48    57   1.20400  1.0 3.0
   37    45   -57    48   0.06250  1.0 1.0
   37    45   -57    48  -0.01100 -1.0 2.0
   37    45   -57    48   0.28050  1.0 3.0
   38    37    43    44   0.15000  1.0 3.0
   38    37    43    46   0.15000  1.0 3.0
   38    37    43    66   0.23400  1.0 3.0
   38    37    45    67   0.15000  1.0 3.0
   38    37    45    48   0.15000  1.0 3.0
   38    37    45    57   0.23400  1.0 3.0
   43    37    45    67   0.56750  1.0 1.0
   43    37    45    67  -0.07550 -1.0 2.0
   43    37    45    67   0.20000  1.0 3.0
   43    37    45    48   0.07850  1.0 1.0
   43    37    45    48  -0.03950 -1.0 2.0
   43    37    45    48   0.67350  1.0 3.0
   43    37    45    57   0.02550  1.0 1.0
   43    37    45    57  -0.02600 -1.0 2.0
   43    37    45    57   1.20400  1.0 3.0
   43    46   -50    58   0.09700  1.0 1.0
   43    46   -50    58   0.15600 -1.0 2.0
   43    46   -50    58  -0.50800  1.0 3.0
   43    46    50    60   0.09850  1.0 1.0
   43    46    50    60   0.15250 -1.0 2.0
   43    46    50    60  -0.50650  1.0 3.0
   43    46    51    52   0.15000  1.0 3.0
   43    46    51    53   0.15000  1.0 3.0
   43    46    51    63   0.56750  1.0 1.0
   43    46    51    63  -0.07550 -1.0 2.0
   43    46    51    63   0.20000  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    50   0.15000  1.0 3.0
   44    43    46    51   0.15000  1.0 3.0
   44    43    66    58   0.08050  1.0 3.0
   46    43   -66    58  -0.25900  1.0 1.0
   46    43   -66    58  -0.47000 -1.0 2.0
   46    43   -66    58   0.11750  1.0 3.0
   46    50    58    59  -0.64400  1.0 1.0
   46    50    58    59   0.26850 -1.0 2.0
   46    50   -58    66  -0.15000  1.0 1.0
   46    50   -58    66   0.89550 -1.0 2.0
   46    50   -58    66  -0.06900  1.0 3.0
   46    50    60    61   7.00000 -1.0 2.0
   46    50    60    62   7.00000 -1.0 2.0
   46    51    63    64   0.15000  1.0 3.0
   46    51    63    65   0.15000  1.0 3.0
   46    51    63    67   0.56750  1.0 1.0
   46    51    63    67  -0.07550 -1.0 2.0
   46    51    63    67   0.20000  1.0 3.0
   47    46    50    58   0.15000  1.0 3.0
   47    46    50    60   0.00000  1.0 1.0
   47    46    51    52   0.15000  1.0 3.0
   47    46    51    53   0.15000  1.0 3.0
   47    46    51    63   0.15000  1.0 3.0
   50    46    51    52   0.15000  1.0 3.0
   50    46    51    53   0.15000  1.0 3.0
   50    46    51    63   0.34400  1.0 1.0
   50    46    51    63   0.09450 -1.0 2.0
   50    46    51    63   0.11100  1.0 3.0
   50    58   -66    43   2.00000 -1.0 2.0
   58    50    60    61   7.00000 -1.0 2.0
   58    50    60    62   7.00000 -1.0 2.0
   59    58    66    43   3.00000 -1.0 2.0
   66    43    46    47   0.23400  1.0 3.0
   66    43   -46    50   0.61850  1.0 1.0
   66    43   -46    50  -0.22750 -1.0 2.0
   66    43   -46    50   0.15300  1.0 3.0
   66    43    46    51   0.62750  1.0 1.0
   66    43    46    51  -0.30950 -1.0 2.0
   66    43    46    51   0.27300  1.0 3.0
   60    50    58    59   1.00000 -1.0 2.0
   60    50    58    66  -0.56150  1.0 1.0
   60    50    58    66   2.19150 -1.0 2.0
   51    46    50    58   0.09700  1.0 1.0
   51    46    50    58   0.15600 -1.0 2.0
   51    46    50    58  -0.50800  1.0 3.0
   51    46    50    60   0.09850  1.0 1.0
   51    46    50    60   0.15250 -1.0 2.0
   51    46    50    60  -0.50650  1.0 3.0
   51    63    67    45   0.47050  1.0 1.0
   51    63    67    45   0.03900 -1.0 2.0
   51    63    67    45   0.20100  1.0 3.0
   51    63    67    68   0.56750  1.0 1.0
   51    63    67    68  -0.07550 -1.0 2.0
   51    63    67    68   0.20000  1.0 3.0
   51    63    67    72   0.86500  1.0 1.0
   51    63    67    72  -0.17500 -1.0 2.0
   51    63    67    72   0.20800  1.0 3.0
   52    51    63    64   0.15000  1.0 3.0
   52    51    63    65   0.15000  1.0 3.0
   52    51    63    67   0.15000  1.0 3.0
   53    51    63    64   0.15000  1.0 3.0
   53    51    63    65   0.15000  1.0 3.0
   53    51    63    67   0.15000  1.0 3.0
   63    67    45    37   0.56750  1.0 1.0
   63    67    45    37  -0.07550 -1.0 2.0
   63    67    45    37   0.20000  1.0 3.0
   63    67    45    48   0.07850  1.0 1.0
   63    67    45    48  -0.03950 -1.0 2.0
   63    67    45    48   0.67350  1.0 3.0
   63    67    45    57   0.02550  1.0 1.0
   63    67    45    57  -0.02600 -1.0 2.0
   63    67    45    57   1.20400  1.0 3.0
   63    67    68    69   0.15000  1.0 3.0
   63    67    68    70   0.15000  1.0 3.0
   63    67    68    71   0.15000  1.0 3.0
   63    67    72    73  -0.11600  1.0 1.0
   63    67    72    73  -0.09450 -1.0 2.0
   63    67    72    73   0.21250  1.0 3.0
   64    63    67    45   0.15000  1.0 3.0
   64    63    67    68   0.15000  1.0 3.0
   64    63    67    72   0.23400  1.0 3.0
   65    63    67    45   0.15000  1.0 3.0
   65    63    67    68   0.15000  1.0 3.0
   65    63    67    72   0.23400  1.0 3.0
   67    45    48    49   0.15000  1.0 3.0
   67    45    48    54   0.56750  1.0 1.0
   67    45    48    54  -0.07550 -1.0 2.0
   67    45    48    54   0.20000  1.0 3.0
   67    45   -48    57   0.02550  1.0 1.0
   67    45   -48    57  -0.02600 -1.0 2.0
   67    45   -48    57   1.20400  1.0 3.0
   67    45   -57    48   0.06250  1.0 1.0
   67    45   -57    48  -0.01100 -1.0 2.0
   67    45   -57    48   0.28050  1.0 3.0
   45    37    43    44   0.15000  1.0 3.0
   45    37    43    46   0.47050  1.0 1.0
   45    37    43    46   0.03900 -1.0 2.0
   45    37    43    46   0.20100  1.0 3.0
   45    37    43    66  -0.26800  1.0 1.0
   45    37    43    66   0.69150 -1.0 2.0
   45    37    43    66  -0.48750  1.0 3.0
   45    67    68    69   0.15000  1.0 3.0
   45    67    68    70   0.15000  1.0 3.0
   45    67    68    71   0.15000  1.0 3.0
   45    67    72    73  -0.11600  1.0 1.0
   45    67    72    73  -0.09450 -1.0 2.0
   45    67    72    73   0.21250  1.0 3.0
   45    48   -54    33   0.07850  1.0 1.0
   45    48   -54    33  -0.03950 -1.0 2.0
   45    48   -54    33   0.67350  1.0 3.0
   45    48    54    55  -0.26800  1.0 1.0
   45    48    54    55   0.69150 -1.0 2.0
   45    48    54    55  -0.48750  1.0 3.0
   45    48    54    56   0.15000  1.0 3.0
   49    48    54    33   0.15000  1.0 3.0
   49    48    54    55   0.23400  1.0 3.0
   49    48    54    56   0.15000  1.0 3.0
   49    48   -57    45   0.36800  1.0 3.0
   54    33    37    38   0.15000  1.0 3.0
   54    33    37    43   0.56750  1.0 1.0
   54    33    37    43  -0.07550 -1.0 2.0
   54    33    37    43   0.20000  1.0 3.0
   54    33   -37    45   0.47050  1.0 1.0
   54    33   -37    45   0.03900 -1.0 2.0
   54    33   -37    45   0.20100  1.0 3.0
   54    33    39    40   0.15000  1.0 3.0
   54    33    39    41   0.15000  1.0 3.0
   54    33    39    42   0.15000  1.0 3.0
   54    48   -57    45   0.06250  1.0 1.0
   54    48   -57    45  -0.01100 -1.0 2.0
   54    48   -57    45   0.28050  1.0 3.0
   57    45   -48    49   0.23400  1.0 3.0
   57    45   -48    54   0.02550  1.0 1.0
   57    45   -48    54  -0.02600 -1.0 2.0
   57    45   -48    54   1.20400  1.0 3.0
   57    48   -54    33   0.02550  1.0 1.0
   57    48   -54    33  -0.02600 -1.0 2.0
   57    48   -54    33   1.20400  1.0 3.0
   57    48    54    55   1.11900  1.0 1.0
   57    48    54    55  -1.16350 -1.0 2.0
   57    48    54    55  -0.34150  1.0 3.0
   57    48    54    56   0.23400  1.0 3.0
   68    67    45    37   0.56750  1.0 1.0
   68    67    45    37  -0.07550 -1.0 2.0
   68    67    45    37   0.20000  1.0 3.0
   68    67    45    48   0.07850  1.0 1.0
   68    67    45    48  -0.03950 -1.0 2.0
   68    67    45    48   0.67350  1.0 3.0
   68    67    45    57   0.02550  1.0 1.0
   68    67    45    57  -0.02600 -1.0 2.0
   68    67    45    57   1.20400  1.0 3.0
   68    67    72    73  -0.11600  1.0 1.0
   68    67    72    73  -0.09450 -1.0 2.0
   68    67    72    73   0.21250  1.0 3.0
   72    67    45    37   0.86500  1.0 1.0
   72    67    45    37  -0.17500 -1.0 2.0
   72    67    45    37   0.20800  1.0 3.0
   72    67    45    48   0.86500  1.0 1.0
   72    67    45    48  -0.17500 -1.0 2.0
   72    67    45    48   0.20800  1.0 3.0
   72    67    45    57   3.69350  1.0 1.0
   72    67    45    57  -1.82950 -1.0 2.0
   72    67    68    69   0.23400  1.0 3.0
   72    67    68    70   0.23400  1.0 3.0
   72    67    68    71   0.23400  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    43   0.56750  1.0 1.0
   39    33    37    43  -0.07550 -1.0 2.0
   39    33    37    43   0.20000  1.0 3.0
   39    33    37    45   0.47050  1.0 1.0
   39    33    37    45   0.03900 -1.0 2.0
   39    33    37    45   0.20100  1.0 3.0
   39    33    54    48   0.47050  1.0 1.0
   39    33    54    48   0.03900 -1.0 2.0
   39    33    54    48   0.20100  1.0 3.0
   39    33    54    55   0.62750  1.0 1.0
   39    33    54    55  -0.30950 -1.0 2.0
   39    33    54    55   0.27300  1.0 3.0
   39    33    54    56   0.15000  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   46    58    50    60   1.10000 -1.0 2.0
   50    66    58    59  10.50000 -1.0 2.0
   61    62    60    50   1.10000 -1.0 2.0
END
