* LIGAND DATABASE FILE (OPLS2005)
*
001      68    69    122    194     363
    1     0 S   NP   _N1_     1    28.70196    98.01405   -22.56948
    2     1 S   H    _HN1     2     1.02784    96.44588   -82.99556
    3     1 S   H    _H1_     3     1.02950    65.53276    24.27752
    4     1 S   H    _H2_     4     1.02829    49.35492   168.92010
    5     1 S   CT   _CA1     5     1.50107   150.17280   112.93082
    6     5 S   HC   _HA1     6     1.09571   105.21098   101.47544
    7     5 S   CO3  _C1_     7     1.53801   112.47140   -18.79173
    8     7 S   O2Z  _O11     8     1.26373   115.00653   -42.21593
    9     7 S   O2Z  _O12     9     1.26241   114.95361   136.98423
   10     5 S   CT   _CB1    10     1.53088   107.43420  -140.50522
   11    10 S   HC   HB11    11     1.09830   109.41990   -49.59737
   12    10 S   HC   HB12    12     1.09814   110.42240    67.02692
   13    10 S   CT   _CG1    13     1.52979   112.58379  -170.57957
   14    13 S   HC   HG11    14     1.09585   110.59990   -64.70969
   15    13 S   HC   HG12    15     1.09668   109.82193    54.51685
   16    13 S   C    _CD1    16     1.51789   112.29590   175.00331
   17    16 S   O    _OE1    17     1.22721   123.31596     5.17127
   18    16 S   N    _N2_    18     1.38639   111.60649  -175.00794
   19    18 S   H    _HN2    19     1.01583   118.93256     2.01587
   20    18 S   CT1  _CA2    20     1.46218   123.42396   178.29452
   21    20 S   HC   _HA2    21     1.09738   109.42293     0.40348
   22    20 S   C    _C2_    22     1.53509   108.49498  -115.10555
   23    22 S   O    _O2_    23     1.23040   122.30405  -147.69918
   24    20 S   CT   _CB2    32     1.53545   111.46733   122.50201
   25    24 S   HC   HB21    33     1.09338   109.19614    56.34978
   26    24 S   HC   HB22    34     1.09354   109.49617   175.56014
   27    22 S   N    _N3_    24     1.38336   113.64780    39.72336
   28    27 S   H    _HN3    25     1.01596   119.57086    -3.37939
   29    24 S   S    _SG2    35     1.82775   110.90418   -65.24871
   30    27 S   CT   _CA3    26     1.45287   123.18410   177.12717
   31    30 S   HC   HA31    27     1.09549   107.50841   -64.53686
   32    30 S   HC   HA32    28     1.09557   107.98374    51.89681
   33    29 S   CT   _C15    36     1.89434   103.74960   169.58004
   34    30 S   CO3  _C3_    29     1.52953   114.08937   173.88791
   35    34 S   O2Z  _O31    30     1.26374   116.06362    -0.88867
   36    34 S   O2Z  _O32    31     1.26429   114.41628   179.17386
   37    33 S   CM   _C11    37     1.52491   105.09765   -67.29906
   38    37 S   HC   _H25    38     1.08827   117.26616   -69.30214
   39    33 S   CT   _C18    48     1.62941   109.51310   174.24653
   40    37 S   CM   _C10    39     1.33768   126.59183   111.46344
   41    40 S   HC   _H24    40     1.08387   121.47709   178.13670
   42    39 S   CA   _C8_    49     1.55839   111.66451   -69.02686
   43    39 S   CT   _C16    61     1.56483   112.88012    54.20121
   44    43 S   HC   _H28    62     1.09515   112.00356    64.79865
   45    43 S   HC   _H29    63     1.09785   110.60040  -176.53169
   46    43 S   HC   _H30    64     1.09282   113.85588   -56.35447
   47    39 S   CT   _C17    65     1.56574   109.99439   168.51856
   48    47 S   HC   _H31    66     1.09619   111.65842   -66.79760
   49    47 S   HC   _H32    67     1.09299   113.44254    53.43291
   50    47 S   HC   _H33    68     1.09739   110.97066   174.31438
   51    40 S   CO4  _C12    41     1.46856   120.80546    -4.39079
   52    51 S   O    _O16    42     1.22041   122.89424   176.18535
   53    42 S   CA   _C4_    50     1.40996   121.80329   -92.74717
   54    53 S   HA   _H20    51     1.08612   121.30278     0.05595
   55    51 S   CO4  _C13    43     1.50181   117.46089    -5.99724
   56    55 S   O    _O17    44     1.22244   118.74019  -155.57697
   57    53 S   CA   _C6_    52     1.39935   121.81052   179.65622
   58    57 S   HA   _H22    53     1.08619   119.36692  -179.91153
   59    33 S   CT   _C14    45     1.55401   109.39628    53.10365
   60    59 S   HC   _H26    46     1.09413   111.32315   154.88413
   61    59 S   HC   _H27    47     1.09695   111.23516    36.47752
   62    57 S   CA   _C9_    54     1.38809   119.65763    -0.00000
   63    62 S   CA   _C7_    55     1.38703   120.30183    -0.00000
   64    63 S   HA   _H23    56     1.08643   120.51225  -179.90935
   65    62 S   OH   _O18    59     1.36507   121.28405  -179.97202
   66    65 S   HO   _H34    60     0.97238   108.59445    -0.07402
   67    42 S   CA   _C5_    57     1.40960   121.49466    86.85914
   68    67 S   HA   _H21    58     1.08618   121.29602     0.16071
  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  12   5   4   3
  22   2   1   1  13   5  20   6   3  18  10   3   2   1   6   2
   1   1   6   3   8   4   4   3   7   3   2   1   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    59    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    40    55    59    60    61    39    42    43    47  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    40    41    51    55    56    59    60    61    39    42    53    67    43    44    45    46    47    48    49    50  
   35    36  
   36  
    0  
   38    40    41    51    52    55    59    60    61    39    42    43    47  
   40    41    51    59    39  
   42    53    54    57    63    67    68    43    44    45    46    47    48    49    50    40    55    59    60    61  
   41    51    52    55    56    59  
   51    52    55  
   53    54    57    58    62    63    64    67    68    43    44    45    46    47    48    49    50    59  
   44    45    46    47    48    49    50    53    59    67  
   45    46    47  
   46    47  
   47  
   48    49    50    53    59    67  
   49    50  
   50  
    0  
   52    55    56    59    60    61  
   55    56    59  
   54    57    58    62    63    67    68    65  
   57    58    62    67  
   56    59    60    61  
   59    60    61  
   58    62    63    64    67    65    66  
   62    63    65  
   60    61  
   61  
    0  
   63    64    67    68    65    66  
   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   0.167500   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   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   40   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   41   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   42   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   43   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   47   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   51   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   53   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   54   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   55   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   56   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   57   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   58   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   59   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   60   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   61   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   62   3.5500   0.0700   0.150000   2.0020   1.7750   0.001000000  -0.843144165
   63   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   64   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   65   3.0700   0.1700  -0.585000   1.7660   1.5600   0.021068034  -0.322181743
   66   0.5000   0.0300   0.435000   0.9960   0.8600   0.030040813  -0.651083722
   67   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   68   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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    59   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    40   549.000  1.340
   40    41   340.000  1.080
   40    51   320.000  1.462
   51    52   570.000  1.229
   51    55   250.000  1.523
   55    56   570.000  1.229
   55    59   317.000  1.522
   59    60   340.000  1.090
   59    61   340.000  1.090
   39    42   317.000  1.510
   39    43   268.000  1.529
   39    47   268.000  1.529
   42    53   469.000  1.400
   42    67   469.000  1.400
   53    54   367.000  1.080
   53    57   469.000  1.400
   57    58   367.000  1.080
   57    62   469.000  1.400
   62    63   469.000  1.400
   62    65   450.000  1.364
   63    64   367.000  1.080
   63    67   469.000  1.400
   67    68   367.000  1.080
   65    66   553.000  0.945
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   340.000  1.090
   47    48   340.000  1.090
   47    49   340.000  1.090
   47    50   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  112.20000
   29    33    59    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    40    70.00000  124.00000
   33    59    55    63.00000  111.10000
   33    59    60    37.50000  110.70000
   33    59    61    37.50000  110.70000
   33    39    42    70.00000  112.17500
   33    39    43    58.35000  112.70000
   33    39    47    58.35000  112.70000
   37    40    41    35.00000  120.00000
   37    40    51    65.00000  118.96000
   40    37    38    35.00000  120.00000
   40    51    52    80.00000  123.72100
   40    51    55    65.00000  116.00000
   51    40    41    40.00000  117.72500
   51    55    56    80.00000  119.30300
   51    55    59    65.00000  115.45000
   55    51    52    80.00000  119.30300
   55    59    60    35.00000  109.50000
   55    59    61    35.00000  109.50000
   59    33    37    70.00000  112.02700
   59    55    56    80.00000  120.40000
   61    59    60    33.00000  107.80000
   39    33    37    70.00000  112.02700
   39    33    59    58.35000  112.70000
   39    42    53    70.00000  120.00000
   39    42    67    70.00000  120.00000
   39    43    44    37.50000  110.70000
   39    43    45    37.50000  110.70000
   39    43    46    37.50000  110.70000
   39    47    48    37.50000  110.70000
   39    47    49    37.50000  110.70000
   39    47    50    37.50000  110.70000
   42    53    54    35.00000  120.00000
   42    53    57    63.00000  120.00000
   42    67    63    63.00000  120.00000
   42    67    68    35.00000  120.00000
   53    57    58    35.00000  120.00000
   53    57    62    63.00000  120.00000
   57    53    54    35.00000  120.00000
   57    62    63    63.00000  120.00000
   57    62    65    70.00000  120.00000
   62    57    58    35.00000  120.00000
   62    63    64    35.00000  120.00000
   62    63    67    63.00000  120.00000
   62    65    66    35.00000  113.00000
   63    67    68    35.00000  120.00000
   67    42    53    63.00000  120.00000
   67    63    64    35.00000  120.00000
   65    62    63    70.00000  120.00000
   43    39    42    70.00000  112.17500
   45    43    44    33.00000  107.80000
   46    43    44    33.00000  107.80000
   46    43    45    33.00000  107.80000
   47    39    42    70.00000  112.17500
   47    39    43    58.35000  112.70000
   49    47    48    33.00000  107.80000
   50    47    48    33.00000  107.80000
   50    47    49    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  -0.62250  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    59   0.01700  1.0 1.0
   24    29    33    59  -0.23550 -1.0 2.0
   24    29    33    59   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   0.00000  1.0 1.0
   29    33    37    40   0.42700  1.0 1.0
   29    33    37    40  -0.70350 -1.0 2.0
   29    33    37    40  -0.43150  1.0 3.0
   29    33    59    55   0.56750  1.0 1.0
   29    33    59    55  -0.07550 -1.0 2.0
   29    33    59    55   0.20000  1.0 3.0
   29    33    59    60   0.15000  1.0 3.0
   29    33    59    61   0.15000  1.0 3.0
   29    33    39    42   0.56750  1.0 1.0
   29    33    39    42  -0.07550 -1.0 2.0
   29    33    39    42   0.20000  1.0 3.0
   29    33    39    43   0.44750  1.0 1.0
   29    33    39    43  -0.17800 -1.0 2.0
   29    33    39    43   0.20200  1.0 3.0
   29    33    39    47   0.44750  1.0 1.0
   29    33    39    47  -0.17800 -1.0 2.0
   29    33    39    47   0.20200  1.0 3.0
   33    37    40    41   7.00000 -1.0 2.0
   33    37    40    51   7.00000 -1.0 2.0
   33    39    42    53   0.04150 -1.0 2.0
   33    39    42    67   0.04150 -1.0 2.0
   33    39    43    44   0.15000  1.0 3.0
   33    39    43    45   0.15000  1.0 3.0
   33    39    43    46   0.15000  1.0 3.0
   33    39    47    48   0.15000  1.0 3.0
   33    39    47    49   0.15000  1.0 3.0
   33    39    47    50   0.15000  1.0 3.0
   37    33    59    55  -0.98800  1.0 1.0
   37    33    59    55   0.48800 -1.0 2.0
   37    33    59    55   0.76800  1.0 3.0
   37    33    59    60   0.15000  1.0 3.0
   37    33    59    61   0.15000  1.0 3.0
   37    33    39    42   0.21200  1.0 1.0
   37    33    39    42   0.16900 -1.0 2.0
   37    33    39    42  -1.15100  1.0 3.0
   37    33    39    43   0.34400  1.0 1.0
   37    33    39    43   0.09450 -1.0 2.0
   37    33    39    43   0.11100  1.0 3.0
   37    33    39    47   0.34400  1.0 1.0
   37    33    39    47   0.09450 -1.0 2.0
   37    33    39    47   0.11100  1.0 3.0
   37    40    51    52   1.00000 -1.0 2.0
   37    40   -51    55   0.50400  1.0 1.0
   37    40   -51    55   1.60000 -1.0 2.0
   37    40   -51    55  -0.01800  1.0 3.0
   38    37    40    41   7.00000 -1.0 2.0
   38    37    40    51   7.00000 -1.0 2.0
   40    51    55    56   0.03000  1.0 1.0
   40    51    55    56   0.58800 -1.0 2.0
   40    51    55    56   0.15550  1.0 3.0
   40    51    55    59   0.43900  1.0 1.0
   40    51    55    59  -0.18150 -1.0 2.0
   40    51    55    59  -0.03650  1.0 3.0
   41    40    51    52   0.00000  1.0 1.0
   41    40    51    55   0.92800 -1.0 2.0
   51    55   -59    33   0.65300  1.0 1.0
   51    55   -59    33  -0.03850 -1.0 2.0
   51    55   -59    33   0.33900  1.0 3.0
   51    55    59    60   0.00000  1.0 1.0
   51    55    59    61   0.00000  1.0 1.0
   52    51    55    56   0.06100 -1.0 2.0
   52    51    55    59   0.49600 -1.0 2.0
   56    55    59    33   0.30150 -1.0 2.0
   56    55    59    60   0.00000  1.0 1.0
   56    55    59    61   0.00000  1.0 1.0
   59    33    37    38   0.00000  1.0 1.0
   59    33   -37    40   0.09850  1.0 1.0
   59    33   -37    40   0.15250 -1.0 2.0
   59    33   -37    40  -0.50650  1.0 3.0
   59    33    39    42  -0.03700  1.0 1.0
   59    33    39    42   0.37200 -1.0 2.0
   59    33    39    42  -0.47300  1.0 3.0
   59    33    39    43   0.56750  1.0 1.0
   59    33    39    43  -0.07550 -1.0 2.0
   59    33    39    43   0.20000  1.0 3.0
   59    33    39    47   0.56750  1.0 1.0
   59    33    39    47  -0.07550 -1.0 2.0
   59    33    39    47   0.20000  1.0 3.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    40   0.09850  1.0 1.0
   39    33    37    40   0.15250 -1.0 2.0
   39    33    37    40  -0.50650  1.0 3.0
   39    33    59    55  -0.95700  1.0 1.0
   39    33    59    55  -0.18200 -1.0 2.0
   39    33    59    55   0.29450  1.0 3.0
   39    33    59    60   0.15000  1.0 3.0
   39    33    59    61   0.15000  1.0 3.0
   39    42    53    54   3.62500 -1.0 2.0
   39    42    53    57   3.62500 -1.0 2.0
   39    42    67    63   3.62500 -1.0 2.0
   39    42    67    68   3.62500 -1.0 2.0
   42    39    43    44   0.43200  1.0 3.0
   42    39    43    45   0.43200  1.0 3.0
   42    39    43    46   0.43200  1.0 3.0
   42    39    47    48   0.43200  1.0 3.0
   42    39    47    49   0.43200  1.0 3.0
   42    39    47    50   0.43200  1.0 3.0
   42    53    57    58   3.62500 -1.0 2.0
   42    53    57    62   3.62500 -1.0 2.0
   53    42    67    63   3.62500 -1.0 2.0
   53    42    67    68   3.62500 -1.0 2.0
   53    57   -62    63   3.62500 -1.0 2.0
   53    57    62    65   3.62500 -1.0 2.0
   54    53    57    58   3.62500 -1.0 2.0
   54    53    57    62   3.62500 -1.0 2.0
   57    62    63    64   3.62500 -1.0 2.0
   57    62    63    67   3.62500 -1.0 2.0
   57    62    65    66   0.84100 -1.0 2.0
   58    57    62    63   3.62500 -1.0 2.0
   58    57    62    65   3.62500 -1.0 2.0
   62    63   -67    42   3.62500 -1.0 2.0
   62    63    67    68   3.62500 -1.0 2.0
   63    62    65    66   0.84100 -1.0 2.0
   64    63    67    42   3.62500 -1.0 2.0
   64    63    67    68   3.62500 -1.0 2.0
   67    42    53    54   3.62500 -1.0 2.0
   67    42   -53    57   3.62500 -1.0 2.0
   65    62    63    64   3.62500 -1.0 2.0
   65    62    63    67   3.62500 -1.0 2.0
   43    39    42    53   0.04150 -1.0 2.0
   43    39    42    67   0.04150 -1.0 2.0
   43    39    47    48   0.15000  1.0 3.0
   43    39    47    49   0.15000  1.0 3.0
   43    39    47    50   0.15000  1.0 3.0
   47    39    42    53   0.04150 -1.0 2.0
   47    39    42    67   0.04150 -1.0 2.0
   47    39    43    44   0.15000  1.0 3.0
   47    39    43    45   0.15000  1.0 3.0
   47    39    43    46   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
   33    38    37    40   1.10000 -1.0 2.0
   51    41    40    37   1.10000 -1.0 2.0
   40    55    51    52  10.50000 -1.0 2.0
   51    59    55    56  10.50000 -1.0 2.0
   53    67    42    39   4.00000 -1.0 2.0
   57    54    53    42   1.10000 -1.0 2.0
   62    58    57    53   1.10000 -1.0 2.0
   63    65    62    57   4.00000 -1.0 2.0
   67    64    63    62   1.10000 -1.0 2.0
   63    68    67    42   1.10000 -1.0 2.0
END
