* LIGAND DATABASE FILE (OPLS2005)
*
001      68    69    121    189     361
    1     0 S   NP   _N1_     1    28.88624    93.87125   -19.12586
    2     1 S   H    _HN1     2     1.02760    83.17077   -52.17501
    3     1 S   H    _H1_     3     1.03091   105.12072    54.85117
    4     1 S   H    _H2_     4     1.02818    27.31383   152.64511
    5     1 S   CT   _CA1     5     1.50094   133.16735  -166.40288
    6     5 S   HC   _HA1     6     1.09584   105.27758    39.82863
    7     5 S   CO3  _C1_     7     1.53815   112.12247   -80.19857
    8     7 S   O2Z  _O11     8     1.26329   115.09693   -50.33713
    9     7 S   O2Z  _O12     9     1.26252   114.86479   128.85248
   10     5 S   CT   _CB1    10     1.53060   107.39632   157.38210
   11    10 S   HC   HB11    11     1.09808   109.30663   -53.22941
   12    10 S   HC   HB12    12     1.09665   110.39801    63.20104
   13    10 S   CT   _CG1    13     1.52992   112.90697  -174.81915
   14    13 S   HC   HG11    14     1.09565   110.11961   -59.33489
   15    13 S   HC   HG12    15     1.09593   110.42563    59.77755
   16    13 S   C    _CD1    16     1.51840   111.59293   179.61948
   17    16 S   O    _OE1    17     1.22778   122.85611   -26.01361
   18    16 S   N    _N2_    18     1.38545   112.09476   155.21599
   19    18 S   H    _HN2    19     1.01582   119.14319     0.64255
   20    18 S   CT1  _CA2    20     1.46191   123.36194  -177.71184
   21    20 S   HC   _HA2    21     1.09624   109.04801   -19.61268
   22    20 S   C    _C2_    22     1.53404   108.37634  -135.02018
   23    22 S   O    _O2_    23     1.23009   122.27602  -146.61713
   24    20 S   CT   _CB2    32     1.53533   111.41692   102.84267
   25    24 S   HC   HB21    33     1.09643   109.68256    54.06556
   26    24 S   HC   HB22    34     1.09540   111.45633   171.94495
   27    22 S   N    _N3_    24     1.38527   113.32736    40.90439
   28    27 S   H    _HN3    25     1.01540   118.91992    -0.63056
   29    24 S   S    _SG2    35     1.82789   113.47448   -65.60507
   30    27 S   CT   _CA3    26     1.45437   123.37800   175.05292
   31    30 S   HC   HA31    27     1.09528   109.19147    25.78090
   32    30 S   HC   HA32    28     1.09496   107.15568   142.76529
   33    29 S   CT   _C15    36     1.82829    99.27954   -81.10718
   34    33 S   HC   _H13    37     1.09450   107.27692   -70.58142
   35    33 S   HC   _H14    38     1.09400   108.67399    47.47436
   36    30 S   CO3  _C3_    29     1.52913   113.05059   -97.65719
   37    36 S   O2Z  _O31    30     1.26405   115.36008   -46.42720
   38    36 S   O2Z  _O32    31     1.26347   115.01804   134.47291
   39    33 S   CT   _C14    39     1.53458   110.78950   168.65802
   40    39 S   HC   _H7_    40     1.09817   109.81080    42.41091
   41    39 S   CT   _C13    41     1.54039   111.69082   162.77217
   42    41 S   HC   _H6_    42     1.09639   110.65759   -64.12532
   43    41 S   CT   _C12    43     1.53337   109.29835   175.36735
   44    43 S   HC   _H5_    44     1.09741   108.31975    66.25210
   45    41 S   OH   _O36    67     1.42687   111.01524    54.17110
   46    45 S   HO   _H15    68     0.97146   108.25805   -69.95162
   47    43 S   CT   _C11    45     1.53189   111.96441   -53.14470
   48    47 S   HC   _H4_    46     1.09639   109.02907   173.56303
   49    43 S   OH   _O37    65     1.42491   111.39180  -176.82571
   50    49 S   HO   _H16    66     0.97189   107.78386   -47.91469
   51    47 S   CO   _C10    47     1.53658   110.39536    51.53233
   52    51 S   HC   _H3_    48     1.09838   107.87242  -167.58373
   53    47 S   OH   _O38    63     1.42875   110.13547   -69.42212
   54    53 S   HO   _H17    64     0.97192   107.84569  -177.28538
   55    39 S   OS   _O35    49     1.43606   107.62818   -76.02168
   56    51 S   OS   _O34    50     1.43863   108.70677    71.88363
   57    56 S   CA   _C6_    51     1.36910   111.24891   146.41972
   58    57 S   CA   _C5_    52     1.39690   120.07289   -80.75410
   59    58 S   HA   _H9_    53     1.08629   120.51358     1.55369
   60    58 S   CA   _C4_    54     1.39409   119.64662  -178.65099
   61    60 S   HA   _H8_    55     1.08593   119.53947  -179.22570
   62    60 S   CA   _C9_    56     1.39431   119.43203     0.75692
   63    62 S   CA   _C8_    57     1.39390   120.94880     0.60133
   64    63 S   HA   _H11    58     1.08659   120.52261   179.43455
   65    62 S   OH   _O33    61     1.36700   120.88238  -179.17008
   66    65 S   HO   _H12    62     0.97283   108.42935    -6.49371
   67    57 S   CA   _C7_    59     1.39430   119.04727   102.57328
   68    67 S   HA   _H10    60     1.08588   120.57280    -1.82917
  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   7   5   4   3
  10   5   4   2   1   1  13   6  12   7  13   7   4   1  10   7
   3   1   8   4   3   1   2   7   9   8   4   7   3   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    41    55  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    51    55    45  
   35    39    40    41    55  
   39    40    41    55  
   37    38  
   38  
    0  
   40    41    42    43    44    47    51    52    55    56    49    45    46  
   41    42    43    51    55    45  
   42    43    44    47    48    51    55    53    49    50    45    46  
   43    44    47    55    49    45    46  
   44    47    48    51    52    55    56    53    54    49    50    45    46  
   47    48    51    53    49    50    45  
   46    47    49    55  
    0  
   48    51    52    55    56    57    53    54    49    50  
   51    52    55    56    53    54    49  
   50    51    53  
    0  
   52    55    56    57    58    67    53    54  
   55    56    57    53  
   54    55    56  
    0  
   56    57  
   57    58    59    60    63    67    68  
   58    59    60    61    62    63    64    67    68  
   59    60    61    62    63    67    68    65  
   60    61    62    67  
   61    62    63    64    67    65    66  
   62    63    65  
   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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   51   3.5000   0.0660   0.300000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.100000   1.4250   1.2500   0.008598240   0.268726247
   53   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   54   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   55   2.9000   0.1400  -0.400000   1.7660   1.5600   0.020110767  -0.896042159
   56   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   57   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   58   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   59   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   60   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   61   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    35   340.000  1.090
   33    39   268.000  1.529
   39    40   340.000  1.090
   39    41   268.000  1.529
   39    55   320.000  1.410
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    45   320.000  1.410
   43    44   340.000  1.090
   43    47   268.000  1.529
   43    49   320.000  1.410
   47    48   340.000  1.090
   47    51   250.000  1.527
   47    53   320.000  1.410
   51    52   340.000  1.090
   51    55   320.000  1.380
   51    56   320.000  1.380
   56    57   450.000  1.364
   57    58   469.000  1.400
   57    67   469.000  1.400
   58    59   367.000  1.080
   58    60   469.000  1.400
   60    61   367.000  1.080
   60    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
   53    54   553.000  0.945
   49    50   553.000  0.945
   45    46   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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    35    35.00000  109.50000
   29    33    39    75.00000  111.63000
   33    39    40    37.50000  110.70000
   33    39    41    58.35000  112.70000
   33    39    55    50.00000  109.50000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    37.50000  110.70000
   39    41    43    58.35000  112.70000
   39    41    45    50.00000  109.50000
   39    55    51    60.00000  109.50000
   41    39    40    37.50000  110.70000
   41    43    44    37.50000  110.70000
   41    43    47    58.35000  112.70000
   41    43    49    50.00000  109.50000
   41    45    46    55.00000  108.50000
   43    41    42    37.50000  110.70000
   43    47    48    37.50000  110.70000
   43    47    51    75.00000  109.43000
   43    47    53    50.00000  109.50000
   43    49    50    55.00000  108.50000
   47    43    44    37.50000  110.70000
   47    51    52    45.00000  112.01100
   47    51    55    90.00000  108.56700
   47    51    56    90.00000  108.56700
   47    53    54    55.00000  108.50000
   51    47    48    45.00000  108.72000
   51    56    57   100.00000  112.36700
   55    39    40    35.00000  109.50000
   55    39    41    50.00000  109.50000
   55    51    52    35.00000  109.50000
   56    51    52    35.00000  109.50000
   56    51    55    92.60000  111.55000
   56    57    58    70.00000  120.00000
   56    57    67    70.00000  120.00000
   57    58    59    35.00000  120.00000
   57    58    60    63.00000  120.00000
   57    67    63    63.00000  120.00000
   57    67    68    35.00000  120.00000
   58    60    61    35.00000  120.00000
   58    60    62    63.00000  120.00000
   60    58    59    35.00000  120.00000
   60    62    63    63.00000  120.00000
   60    62    65    70.00000  120.00000
   62    60    61    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    57    58    63.00000  120.00000
   67    63    64    35.00000  120.00000
   65    62    63    70.00000  120.00000
   53    47    48    35.00000  109.50000
   53    47    51    90.00000  111.58700
   49    43    44    35.00000  109.50000
   49    43    47    50.00000  109.50000
   45    41    42    35.00000  109.50000
   45    41    43    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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    35   0.32350  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    39    40   0.15000  1.0 3.0
   29    33    39    41   0.44750  1.0 1.0
   29    33    39    41  -0.17800 -1.0 2.0
   29    33    39    41   0.20200  1.0 3.0
   29    33    39    55   0.56750  1.0 1.0
   29    33    39    55  -0.07550 -1.0 2.0
   29    33    39    55   0.20000  1.0 3.0
   33    39    41    42   0.15000  1.0 3.0
   33    39    41    43   0.56750  1.0 1.0
   33    39    41    43  -0.07550 -1.0 2.0
   33    39    41    43   0.20000  1.0 3.0
   33    39    41    45   0.86500  1.0 1.0
   33    39    41    45  -0.17500 -1.0 2.0
   33    39    41    45   0.20800  1.0 3.0
   33    39    55    51   0.06250  1.0 1.0
   33    39    55    51  -0.01100 -1.0 2.0
   33    39    55    51   0.28050  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41   0.15000  1.0 3.0
   34    33    39    55   0.23400  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41   0.15000  1.0 3.0
   35    33    39    55   0.23400  1.0 3.0
   39    41    43    44   0.15000  1.0 3.0
   39    41    43    47   0.56750  1.0 1.0
   39    41    43    47  -0.07550 -1.0 2.0
   39    41    43    47   0.20000  1.0 3.0
   39    41    43    49   0.86500  1.0 1.0
   39    41    43    49  -0.17500 -1.0 2.0
   39    41    43    49   0.20800  1.0 3.0
   39    41    45    46  -0.11600  1.0 1.0
   39    41    45    46  -0.09450 -1.0 2.0
   39    41    45    46   0.21250  1.0 3.0
   40    39    41    42   0.15000  1.0 3.0
   40    39    41    43   0.15000  1.0 3.0
   40    39    41    45   0.23400  1.0 3.0
   40    39    55    51   0.37050  1.0 3.0
   41    39    55    51   0.06250  1.0 1.0
   41    39    55    51  -0.01100 -1.0 2.0
   41    39    55    51   0.28050  1.0 3.0
   41    43    47    48   0.15000  1.0 3.0
   41    43   -47    51   3.97050  1.0 1.0
   41    43    47    53   0.86500  1.0 1.0
   41    43    47    53  -0.17500 -1.0 2.0
   41    43    47    53   0.20800  1.0 3.0
   41    43    49    50  -0.11600  1.0 1.0
   41    43    49    50  -0.09450 -1.0 2.0
   41    43    49    50   0.21250  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    47   0.15000  1.0 3.0
   42    41    43    49   0.23400  1.0 3.0
   42    41    45    46   0.19450  1.0 3.0
   43    41    45    46  -0.11600  1.0 1.0
   43    41    45    46  -0.09450 -1.0 2.0
   43    41    45    46   0.21250  1.0 3.0
   43    47    51    52   0.15000  1.0 3.0
   43    47    51    55   0.62750  1.0 1.0
   43    47    51    55  -0.30950 -1.0 2.0
   43    47    51    55   0.27300  1.0 3.0
   43    47    51    56   0.62750  1.0 1.0
   43    47    51    56  -0.30950 -1.0 2.0
   43    47    51    56   0.27300  1.0 3.0
   43    47    53    54  -0.11600  1.0 1.0
   43    47    53    54  -0.09450 -1.0 2.0
   43    47    53    54   0.21250  1.0 3.0
   44    43    47    48   0.15000  1.0 3.0
   44    43    47    51   0.15000  1.0 3.0
   44    43    47    53   0.23400  1.0 3.0
   44    43    49    50   0.19450  1.0 3.0
   47    43    49    50  -0.11600  1.0 1.0
   47    43    49    50  -0.09450 -1.0 2.0
   47    43    49    50   0.21250  1.0 3.0
   47    51   -55    39   0.06250  1.0 1.0
   47    51   -55    39  -0.01100 -1.0 2.0
   47    51   -55    39   0.28050  1.0 3.0
   47    51    56    57  -0.32850  1.0 1.0
   47    51    56    57  -0.35800 -1.0 2.0
   47    51    56    57   0.33950  1.0 3.0
   48    47    51    52   0.15000  1.0 3.0
   48    47    51    55   0.23400  1.0 3.0
   48    47    51    56   0.23400  1.0 3.0
   48    47    53    54   0.19450  1.0 3.0
   51    47    53    54  -0.11600  1.0 1.0
   51    47    53    54  -0.09450 -1.0 2.0
   51    47    53    54   0.21250  1.0 3.0
   51    56    57    58   1.63200 -1.0 2.0
   51    56    57    67   1.63200 -1.0 2.0
   52    51    55    39   0.37050  1.0 3.0
   52    51    56    57   0.08050  1.0 3.0
   55    39    41    42   0.23400  1.0 3.0
   55    39   -41    43   0.62750  1.0 1.0
   55    39   -41    43  -0.30950 -1.0 2.0
   55    39   -41    43   0.27300  1.0 3.0
   55    39    41    45   3.69350  1.0 1.0
   55    39    41    45  -1.82950 -1.0 2.0
   55    51    56    57  -0.25600  1.0 1.0
   55    51    56    57  -0.40050 -1.0 2.0
   55    51    56    57   0.34700  1.0 3.0
   56    51    55    39  -0.81800  1.0 1.0
   56    57    58    59   3.62500 -1.0 2.0
   56    57    58    60   3.62500 -1.0 2.0
   56    57    67    63   3.62500 -1.0 2.0
   56    57    67    68   3.62500 -1.0 2.0
   57    58    60    61   3.62500 -1.0 2.0
   57    58    60    62   3.62500 -1.0 2.0
   58    57    67    63   3.62500 -1.0 2.0
   58    57    67    68   3.62500 -1.0 2.0
   58    60   -62    63   3.62500 -1.0 2.0
   58    60    62    65   3.62500 -1.0 2.0
   59    58    60    61   3.62500 -1.0 2.0
   59    58    60    62   3.62500 -1.0 2.0
   60    62    63    64   3.62500 -1.0 2.0
   60    62    63    67   3.62500 -1.0 2.0
   60    62    65    66   0.84100 -1.0 2.0
   61    60    62    63   3.62500 -1.0 2.0
   61    60    62    65   3.62500 -1.0 2.0
   62    63   -67    57   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    57   3.62500 -1.0 2.0
   64    63    67    68   3.62500 -1.0 2.0
   67    57    58    59   3.62500 -1.0 2.0
   67    57   -58    60   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
   53    47    51    52   0.23400  1.0 3.0
   53    47    51    55   3.69350  1.0 1.0
   53    47    51    55  -1.82950 -1.0 2.0
   53    47    51    56   3.69350  1.0 1.0
   53    47    51    56  -1.82950 -1.0 2.0
   49    43    47    48   0.23400  1.0 3.0
   49    43    47    51   0.86500  1.0 1.0
   49    43    47    51  -0.17500 -1.0 2.0
   49    43    47    51   0.20800  1.0 3.0
   49    43    47    53   3.75450  1.0 1.0
   45    41    43    44   0.23400  1.0 3.0
   45    41    43    47   0.86500  1.0 1.0
   45    41    43    47  -0.17500 -1.0 2.0
   45    41    43    47   0.20800  1.0 3.0
   45    41    43    49   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
   37    30    36    38  10.50000 -1.0 2.0
   58    67    57    56   4.00000 -1.0 2.0
   60    59    58    57   1.10000 -1.0 2.0
   62    61    60    58   1.10000 -1.0 2.0
   63    65    62    60   4.00000 -1.0 2.0
   67    64    63    62   1.10000 -1.0 2.0
   63    68    67    57   1.10000 -1.0 2.0
END
