* LIGAND DATABASE FILE (OPLS2005)
*
001      68    70    123    199     365
    1     0 S   NP   _N1_     1    28.50984    94.91857   -23.03024
    2     1 S   H    _HN1     2     1.02960    83.40918    23.80758
    3     1 S   H    _H1_     3     1.02836    28.54301   169.84288
    4     1 S   H    _H2_     4     1.02778   101.43824   -83.63396
    5     1 S   CT   _CA1     5     1.50118   135.95707   136.43908
    6     5 S   HC   _HA1     6     1.09575   105.22532    75.45860
    7     5 S   CO3  _C1_     7     1.53780   112.43638   -44.74439
    8     7 S   O2Z  _O11     8     1.26359   115.00022   -42.77157
    9     7 S   O2Z  _O12     9     1.26240   114.92366   136.44340
   10     5 S   CT   _CB1    10     1.53099   107.43421  -166.61839
   11    10 S   HC   HB11    11     1.09825   109.30968   -50.78150
   12    10 S   HC   HB12    12     1.09818   110.41647    65.76471
   13    10 S   CT   _CG1    13     1.53012   112.69093  -171.88819
   14    13 S   HC   HG11    14     1.09596   110.45542   -64.38727
   15    13 S   HC   HG12    15     1.09656   109.96056    54.83646
   16    13 S   C    _CD1    16     1.51818   112.34871   175.18460
   17    16 S   O    _OE1    17     1.22713   123.27082    -1.28146
   18    16 S   N    _N2_    18     1.38639   111.62106   179.00220
   19    18 S   H    _HN2    19     1.01576   118.96365     1.79089
   20    18 S   CT1  _CA2    20     1.46200   123.42867   179.64064
   21    20 S   HC   _HA2    21     1.09734   109.48687    -2.48514
   22    20 S   C    _C2_    22     1.53483   108.30428  -118.12601
   23    22 S   O    _O2_    23     1.23030   122.20286  -143.72931
   24    20 S   CT   _CB2    32     1.53452   111.48527   119.59626
   25    24 S   HC   HB21    33     1.09482   109.69746    56.29490
   26    24 S   HC   HB22    34     1.09477   109.78213   175.21865
   27    22 S   N    _N3_    24     1.38496   113.47564    43.45157
   28    27 S   H    _HN3    25     1.01500   118.98633    -0.34887
   29    24 S   S    _SG2    35     1.82804   111.48582   -65.30758
   30    27 S   CT   _CA3    26     1.45461   123.47990   175.23712
   31    30 S   HC   HA31    27     1.09519   109.30447    23.33757
   32    30 S   HC   HA32    28     1.09497   107.10975   140.35564
   33    29 S   CT   _C10    36     1.84356   101.60235   169.09268
   34    30 S   CO3  _C3_    29     1.52921   113.04256  -100.18213
   35    34 S   O2Z  _O31    30     1.26405   115.36740   -45.13189
   36    34 S   O2Z  _O32    31     1.26348   114.99944   135.75708
   37    33 S   CM   _C13    37     1.50451   109.95464  -178.01554
   38    33 S   CD   _C11    46     1.51702   107.03008   -76.51806
   39    38 S   HC   _H11    47     1.10074   120.62938    68.68621
   40    33 S   CT   _C9_    50     1.54225   114.47417    46.95721
   41    40 S   HC   _H9_    51     1.09697   109.89866    50.75233
   42    40 S   HC   _H10    52     1.09588   109.02658   -66.95869
   43    37 S   CD   _C14    38     1.49958   132.91391   -73.52729
   44    43 S   OM   _O33    39     1.24184   108.04489     0.25944
   45    40 S   NTH  _N4_    53     1.47309   112.99805   172.80175
   46    45 S   H    _H8_    54     1.02133   108.37461   -59.84192
   47    43 S   NI   _N6_    40     1.30473   122.89784  -179.30903
   48    45 S   CT   _C8_    55     1.46539   112.37589   179.85329
   49    48 S   HC   _H5_    56     1.09658   111.30877    47.02059
   50    47 S   CDX  _C15    41     1.38190   118.08365     0.50202
   51    48 S   CM   _C4_    57     1.50681   112.34767   -77.67524
   52    51 S   HC   _H6_    58     1.08097   123.61655    76.73845
   53    50 S   NE   _N7_    42     1.37483   120.92658     1.00775
   54    53 S   H    _H12    43     1.01174   121.74335   179.21491
   55    50 S   NI   _N8_    48     1.29782   116.08317  -179.25664
   56    55 S   H    _H13    49     1.02395   108.73995  -179.94405
   57    51 S   CM   _C5_    59     1.33843   112.39985  -102.32277
   58    57 S   HC   _H7_    60     1.08012   124.40441   178.08113
   59    37 S   CM   _C12    44     1.34741   110.79665   109.04168
   60    57 S   CT   _C6_    61     1.49428   111.02653     1.65138
   61    60 S   HC   _H3_    62     1.09605   109.57589    99.21487
   62    59 S   NI   _N5_    45     1.37373   112.30661     0.40251
   63    48 S   CT   _C7_    63     1.54792   111.14192   170.09704
   64    63 S   HC   _H4_    64     1.09571   113.83897   -29.57512
   65    60 S   OH   _O35    67     1.41429   112.25101  -139.35859
   66    65 S   HO   _H15    68     0.97199   107.64641   -58.61499
   67    63 S   OH   _O34    65     1.43225   108.98849  -148.67896
   68    67 S   HO   _H14    66     0.97239   107.30239    66.06365
  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
  15   2   1   1  14   9   3  11   4   3   7   3  10   4   6  12
   7   6   9   4   5   3   2   1   8   4   1   7   5   1   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    38    40    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    43    59    62    38    39    40    41    42    45  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    43    44    47    53    59    62    38    39    40    41    42    45    46    48  
   35    36  
   36  
    0  
   43    44    47    50    53    54    59    62    38    39    40    41    42    45  
   39    40    41    42    45    43    53    59    62  
   40    59    62  
   41    42    45    46    48    49    51    63    43    59    62  
   42    45    46    48  
   45    46    48  
   44    47    50    53    59    62    55  
   47    50    59  
   46    48    49    51    52    57    60    63    64    67  
   48    49    51    63  
   50    53    54    59    55    56  
   49    51    52    57    58    60    61    63    64    67    68    65  
   51    52    57    60    63    64    67  
   53    54    59    62    55    56  
   52    57    58    60    61    63    64    67    65  
   57    58    60    63  
   54    59    62    55    56  
   59    62    55  
   56    59  
    0  
   58    60    61    63    64    67    65    66  
   60    61    63    65  
   62  
   61    63    64    67    68    65    66  
   63    64    67    65    66  
    0  
   64    67    68    65    66  
   67    68    65  
   66    67  
    0  
   68  
    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   0.203600   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   3.5500   0.0760  -0.003300   2.0020   1.7750   0.023028004  -0.852763146
   38   3.7500   0.1050   0.313400   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.040200   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.080000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.7500   0.1050   0.478000   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.685000   1.7825   1.5750   0.001000000  -0.126889456
   45   3.3000   0.1700  -0.780000   1.8650   1.6500   0.051222218  -2.220205820
   46   0.5000   0.0300   0.380000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.2800   0.1700  -0.912200   1.8540   1.6400   0.005000000   0.000000000
   48   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.7500   0.1050   0.456500   2.1120   1.8750   0.001000000  -0.126889456
   51   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   52   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   53   3.2500   0.1700  -0.507500   1.8650   1.6500   0.051222218  -2.220205820
   54   0.5000   0.0300   0.410000   0.9960   0.8600   0.030040813  -0.651083722
   55   3.2800   0.1700  -0.785000   1.8540   1.6400   0.005000000   0.000000000
   56   0.5000   0.0300   0.426000   0.9960   0.8600   0.030040813  -0.651083722
   57   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.5500   0.0760   0.245000   2.0020   1.7750   0.023028004  -0.852763146
   60   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   61   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   62   3.2800   0.1700  -0.512200   1.8540   1.6400   0.005000000   0.000000000
   63   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   65   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   68   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   317.000  1.510
   33    38   270.000  1.508
   33    40   268.000  1.529
   37    43   320.000  1.464
   37    59   549.000  1.340
   43    44   795.000  1.237
   43    47   500.000  1.261
   47    50   630.000  1.388
   50    53   445.000  1.380
   50    55   650.000  1.285
   53    54   434.000  1.010
   53    59   425.000  1.378
   59    62   405.000  1.380
   62    38   500.000  1.261
   38    39   370.000  1.093
   55    56   434.000  1.010
   40    41   340.000  1.090
   40    42   340.000  1.090
   40    45   305.000  1.454
   45    46   500.000  1.015
   45    48   305.000  1.454
   48    49   340.000  1.090
   48    51   317.000  1.510
   48    63   268.000  1.529
   51    52   340.000  1.080
   51    57   549.000  1.340
   57    58   340.000  1.080
   57    60   317.000  1.510
   60    61   340.000  1.090
   60    63   268.000  1.529
   60    65   320.000  1.410
   63    64   340.000  1.090
   63    67   320.000  1.410
   67    68   553.000  0.945
   65    66   553.000  0.945
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  112.20000
   29    33    38    75.00000  114.43000
   29    33    40    75.00000  111.63000
   33    37    43    65.00000  117.22000
   33    37    59    70.00000  124.00000
   33    38    62    65.00000  122.10100
   33    38    39    40.00000  113.58700
   33    40    41    37.50000  110.70000
   33    40    42    37.50000  110.70000
   33    40    45    80.00000  111.29100
   37    43    44    90.00000  107.08000
   37    43    47    70.00000  121.86000
   37    59    53    70.00000  124.03900
   37    59    62    70.00000  120.83400
   43    47    50    80.00000  112.72500
   47    43    44    75.00000  134.47000
   47    50    53    75.00000  124.36500
   47    50    55    75.00000  130.08800
   50    53    54    35.00000  119.50000
   50    53    59    75.00000  119.57500
   50    55    56    55.00000  110.29700
   53    59    62    85.00000  113.56000
   59    37    43    60.00000  120.31500
   59    53    54    35.00000  114.50000
   59    62    38    75.00000  115.77100
   62    38    39    45.00000  120.55300
   38    33    37    70.00000  110.51600
   55    50    53    75.00000  124.36500
   40    33    37    70.00000  112.02700
   40    33    38    70.00000  111.76100
   40    45    46    50.00000  109.23200
   40    45    48    75.00000  112.02600
   42    40    41    33.00000  107.80000
   45    40    41    50.00000  110.59500
   45    40    42    50.00000  110.59500
   45    48    49    50.00000  110.59500
   45    48    51    75.00000  110.70900
   45    48    63    80.00000  111.29100
   48    45    46    50.00000  109.23200
   48    51    52    35.00000  117.00000
   48    51    57    70.00000  124.00000
   48    63    60    58.35000  112.70000
   48    63    64    37.50000  110.70000
   48    63    67    50.00000  109.50000
   51    48    49    35.00000  109.50000
   51    57    58    35.00000  120.00000
   51    57    60    70.00000  124.00000
   57    51    52    35.00000  120.00000
   57    60    61    35.00000  109.50000
   57    60    63    70.00000  112.02700
   57    60    65    90.00000  110.39200
   60    57    58    35.00000  117.00000
   60    63    64    37.50000  110.70000
   60    63    67    50.00000  109.50000
   60    65    66    55.00000  108.50000
   63    48    49    37.50000  110.70000
   63    48    51    70.00000  112.02700
   63    60    61    37.50000  110.70000
   63    67    68    55.00000  108.50000
   67    63    64    35.00000  109.50000
   65    60    61    35.00000  109.50000
   65    60    63    50.00000  109.50000
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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  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    40   0.01700  1.0 1.0
   24    29    33    40  -0.23550 -1.0 2.0
   24    29    33    40   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    43   0.42700  1.0 1.0
   29    33    37    43  -0.70350 -1.0 2.0
   29    33    37    43  -0.43150  1.0 3.0
   29    33    37    59   0.42700  1.0 1.0
   29    33    37    59  -0.70350 -1.0 2.0
   29    33    37    59  -0.43150  1.0 3.0
   29    33    38    62   0.00000  1.0 1.0
   29    33    38    39   0.00000  1.0 1.0
   29    33    40    41   0.15000  1.0 3.0
   29    33    40    42   0.15000  1.0 3.0
   29    33    40    45   0.56750  1.0 1.0
   29    33    40    45  -0.07550 -1.0 2.0
   29    33    40    45   0.20000  1.0 3.0
   33    37    43    44   7.00000 -1.0 2.0
   33    37    43    47   7.00000 -1.0 2.0
   33    37    59    53   7.00000 -1.0 2.0
   33    37   -59    62   7.00000 -1.0 2.0
   33    40    45    46   0.03200  1.0 1.0
   33    40    45    46   0.33800 -1.0 2.0
   33    40    45    48  -0.35450  1.0 1.0
   33    40    45    48   0.44050 -1.0 2.0
   33    40    45    48   0.77100  1.0 3.0
   37    33   -38    62   0.00000  1.0 1.0
   37    33    38    39   0.00000  1.0 1.0
   37    33    40    41   0.15000  1.0 3.0
   37    33    40    42   0.15000  1.0 3.0
   37    33    40    45   0.59950  1.0 1.0
   37    33    40    45  -0.21400 -1.0 2.0
   37    33    40    45   0.56200  1.0 3.0
   37    43    47    50   6.00000 -1.0 2.0
   37    59   -62    38   1.00000 -1.0 2.0
   43    37    59    53   7.00000 -1.0 2.0
   43    37    59    62   7.00000 -1.0 2.0
   43    47   -50    53   0.00050  1.0 1.0
   43    47   -50    53   2.00000 -1.0 2.0
   43    47    50    55   0.00050  1.0 1.0
   43    47    50    55   2.00000 -1.0 2.0
   44    43    47    50   6.00000 -1.0 2.0
   47    50    53    54   1.50000 -1.0 2.0
   47    50    53    59   1.00000 -1.0 2.0
   47    50    55    56   6.00000 -1.0 2.0
   50    53   -59    37  -0.54500  1.0 1.0
   50    53   -59    37   1.14150 -1.0 2.0
   50    53    59    62   1.00000 -1.0 2.0
   53    50    55    56  -1.91600  1.0 1.0
   53    50    55    56   8.35800 -1.0 2.0
   53    59    62    38   1.00000 -1.0 2.0
   54    53    59    37   1.00000 -1.0 2.0
   54    53    59    62   1.00000 -1.0 2.0
   59    37    43    44   1.09700  1.0 1.0
   59    37    43    44   0.56350 -1.0 2.0
   59    37    43    44   0.49350  1.0 3.0
   59    37   -43    47   1.09650  1.0 1.0
   59    37   -43    47   0.48950 -1.0 2.0
   59    37   -43    47   0.49400  1.0 3.0
   59    62   -38    33   6.00000 -1.0 2.0
   59    62    38    39   4.00000 -1.0 2.0
   38    33    37    43  -0.28300  1.0 1.0
   38    33    37    43   0.26700 -1.0 2.0
   38    33    37    43  -0.63300  1.0 3.0
   38    33   -37    59  -0.28300  1.0 1.0
   38    33   -37    59   0.26700 -1.0 2.0
   38    33   -37    59  -0.63300  1.0 3.0
   38    33    40    41   0.15000  1.0 3.0
   38    33    40    42   0.15000  1.0 3.0
   38    33    40    45   0.59950  1.0 1.0
   38    33    40    45  -0.21400 -1.0 2.0
   38    33    40    45   0.56200  1.0 3.0
   55    50    53    54   1.50000 -1.0 2.0
   55    50    53    59   1.00000 -1.0 2.0
   40    33    37    43   0.09850  1.0 1.0
   40    33    37    43   0.15250 -1.0 2.0
   40    33    37    43  -0.50650  1.0 3.0
   40    33    37    59   0.09850  1.0 1.0
   40    33    37    59   0.15250 -1.0 2.0
   40    33    37    59  -0.50650  1.0 3.0
   40    33    38    62   0.00000  1.0 1.0
   40    33    38    39   0.00000  1.0 1.0
   40    45    48    49   0.28000  1.0 3.0
   40    45    48    51  -0.60800  1.0 1.0
   40    45    48    51   1.10050 -1.0 2.0
   40    45    48    51   0.47000  1.0 3.0
   40    45    48    63  -0.35450  1.0 1.0
   40    45    48    63   0.44050 -1.0 2.0
   40    45    48    63   0.77100  1.0 3.0
   41    40    45    46   0.20000  1.0 3.0
   41    40    45    48   0.28000  1.0 3.0
   42    40    45    46   0.20000  1.0 3.0
   42    40    45    48   0.28000  1.0 3.0
   45    48    51    52   0.00000  1.0 1.0
   45    48    51    57   0.90200  1.0 1.0
   45    48    51    57   0.57900 -1.0 2.0
   45    48    51    57  -0.62100  1.0 3.0
   45    48    63    60   1.85550  1.0 1.0
   45    48    63    60  -0.84100 -1.0 2.0
   45    48    63    64   0.15000  1.0 3.0
   45    48    63    67   4.49050  1.0 1.0
   46    45    48    49   0.20000  1.0 3.0
   46    45    48    51   0.12450  1.0 1.0
   46    45    48    51  -0.40750 -1.0 2.0
   46    45    48    51   0.30300  1.0 3.0
   46    45    48    63   0.03200  1.0 1.0
   46    45    48    63   0.33800 -1.0 2.0
   48    51    57    58   7.00000 -1.0 2.0
   48    51   -57    60   7.00000 -1.0 2.0
   48    63    67    68  -0.11600  1.0 1.0
   48    63    67    68  -0.09450 -1.0 2.0
   48    63    67    68   0.21250  1.0 3.0
   49    48    51    52   0.33100  1.0 3.0
   49    48    51    57   0.00000  1.0 1.0
   49    48    63    60   0.15000  1.0 3.0
   49    48    63    64   0.15000  1.0 3.0
   49    48    63    67   0.23400  1.0 3.0
   51    48   -63    60   0.34400  1.0 1.0
   51    48   -63    60   0.09450 -1.0 2.0
   51    48   -63    60   0.11100  1.0 3.0
   51    48    63    64   0.15000  1.0 3.0
   51    48    63    67   1.05650  1.0 1.0
   51    48    63    67   0.15600 -1.0 2.0
   51    48    63    67   0.53150  1.0 3.0
   51    57    60    61   0.00000  1.0 1.0
   51    57   -60    63   0.09850  1.0 1.0
   51    57   -60    63   0.15250 -1.0 2.0
   51    57   -60    63  -0.50650  1.0 3.0
   51    57    60    65   0.67800  1.0 1.0
   51    57    60    65   0.47050 -1.0 2.0
   51    57    60    65  -0.62500  1.0 3.0
   52    51    57    58   7.00000 -1.0 2.0
   52    51    57    60   7.00000 -1.0 2.0
   57    60   -63    48   0.34400  1.0 1.0
   57    60   -63    48   0.09450 -1.0 2.0
   57    60   -63    48   0.11100  1.0 3.0
   57    60    63    64   0.15000  1.0 3.0
   57    60    63    67   1.05650  1.0 1.0
   57    60    63    67   0.15600 -1.0 2.0
   57    60    63    67   0.53150  1.0 3.0
   57    60    65    66  -0.07800  1.0 1.0
   57    60    65    66  -0.21500 -1.0 2.0
   57    60    65    66  -0.03150  1.0 3.0
   58    57    60    61   0.33100  1.0 3.0
   58    57    60    63   0.00000  1.0 1.0
   58    57    60    65   0.00000  1.0 1.0
   60    63    67    68  -0.11600  1.0 1.0
   60    63    67    68  -0.09450 -1.0 2.0
   60    63    67    68   0.21250  1.0 3.0
   61    60    63    48   0.15000  1.0 3.0
   61    60    63    64   0.15000  1.0 3.0
   61    60    63    67   0.23400  1.0 3.0
   61    60    65    66   0.19450  1.0 3.0
   63    48    51    52   0.00000  1.0 1.0
   63    48   -51    57   0.09850  1.0 1.0
   63    48   -51    57   0.15250 -1.0 2.0
   63    48   -51    57  -0.50650  1.0 3.0
   63    60    65    66  -0.11600  1.0 1.0
   63    60    65    66  -0.09450 -1.0 2.0
   63    60    65    66   0.21250  1.0 3.0
   64    63    67    68   0.19450  1.0 3.0
   65    60    63    48   0.86500  1.0 1.0
   65    60    63    48  -0.17500 -1.0 2.0
   65    60    63    48   0.20800  1.0 3.0
   65    60    63    64   0.23400  1.0 3.0
   65    60    63    67   3.75450  1.0 1.0
IPHI
    8     5     7     9  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   35    30    34    36  10.50000 -1.0 2.0
   33    43    37    59   1.10000 -1.0 2.0
   37    44    43    47  10.50000 -1.0 2.0
   47    53    50    55  10.50000 -1.0 2.0
   54    50    53    59   1.00000 -1.0 2.0
   53    62    59    37   1.10000 -1.0 2.0
   33    39    38    62  10.50000 -1.0 2.0
   48    52    51    57   1.10000 -1.0 2.0
   60    58    57    51   1.10000 -1.0 2.0
END
