* LIGAND DATABASE FILE (OPLS2005)
*
001      75    76    139    215     414
    1     0 S   NP   _N1_     1    29.13379    92.70284   -22.39040
    2     1 S   H    _HN1     2     1.02966    94.31956    31.52667
    3     1 S   H    _H1_     3     1.02828    18.46687   166.03463
    4     1 S   H    _H2_     4     1.02773   100.43850   -78.02489
    5     1 S   CT   _CA1     5     1.50149   128.77315   152.01919
    6     5 S   HC   _HA1     6     1.09580   105.19899    63.85512
    7     5 S   CO3  _C1_     7     1.53781   112.43451   -56.19477
    8     7 S   O2Z  _O11     8     1.26352   115.01725   -41.89725
    9     7 S   O2Z  _O12     9     1.26253   114.91627   137.18042
   10     5 S   CT   _CB1    10     1.53079   107.36342  -178.35277
   11    10 S   HC   HB11    11     1.09820   109.17263   -51.47798
   12    10 S   HC   HB12    12     1.09824   110.42751    64.98442
   13    10 S   CT   _CG1    13     1.53011   112.79633  -172.70819
   14    13 S   HC   HG11    14     1.09596   110.29177   -64.86587
   15    13 S   HC   HG12    15     1.09642   110.13232    54.37788
   16    13 S   C    _CD1    16     1.51795   112.25805   174.50207
   17    16 S   O    _OE1    17     1.22742   123.22858    -8.16008
   18    16 S   N    _N2_    18     1.38683   111.74240   172.56605
   19    18 S   H    _HN2    19     1.01584   119.12266     1.32234
   20    18 S   CT1  _CA2    20     1.46058   123.19009  -179.06875
   21    20 S   HC   _HA2    21     1.09577   109.24407    -7.59518
   22    20 S   C    _C2_    22     1.53437   108.90821  -122.77228
   23    22 S   O    _O2_    23     1.23039   122.07419  -147.89489
   24    20 S   CT   _CB2    32     1.53444   111.79390   114.63993
   25    24 S   HC   HB21    33     1.09659   109.56370    63.92549
   26    24 S   HC   HB22    34     1.09576   110.80809  -178.83584
   27    22 S   N    _N3_    24     1.38464   113.53302    39.69525
   28    27 S   H    _HN3    25     1.01510   118.94377    -0.77984
   29    24 S   S    _SG2    35     1.82869   114.88165   -55.82564
   30    27 S   CT   _CA3    26     1.45440   123.40482   174.71869
   31    30 S   HC   HA31    27     1.09527   109.17105    25.81606
   32    30 S   HC   HA32    28     1.09493   107.14672   142.83708
   33    29 S   CT   _C18    36     1.82567    99.96437   -66.64752
   34    33 S   HC   _H22    37     1.09379   107.32904   -59.14556
   35    33 S   HC   _H23    38     1.09329   109.36995    58.41583
   36    30 S   CO3  _C3_    29     1.52939   113.13783   -97.59161
   37    36 S   O2Z  _O31    30     1.26402   115.43704   -43.51732
   38    36 S   O2Z  _O32    31     1.26358   114.96061   137.39583
   39    33 S   CT   _C16    39     1.52901   110.96343   179.89721
   40    39 S   HC   _H7_    40     1.09743   112.08594    43.17520
   41    39 S   CO4  _C17    41     1.51911   113.16692   -79.43949
   42    41 S   O    _O35    42     1.22095   126.51099    40.88181
   43    41 S   OS   _O36    43     1.37097   109.82906  -140.25990
   44    43 S   CT   _C7_    44     1.42974   109.11013    -4.12132
   45    44 S   HC   _H3_    45     1.09469   107.91690   -90.07854
   46    44 S   CM   _C6_    46     1.49847   110.16033   146.12794
   47    46 S   HC   _H11    47     1.08950   114.74518   -66.91612
   48    39 S   CT   _C8_    63     1.53467   112.07430   167.62850
   49    48 S   HC   _H4_    64     1.09856   107.11044    41.41861
   50    46 S   CM   _C5_    48     1.34642   125.64690   126.53763
   51    50 S   CT   _C15    49     1.51645   118.56343   155.75676
   52    51 S   HC   _H6_    50     1.09652   111.40589    19.31079
   53    50 S   CT   _C4_    72     1.50819   123.82680   -17.25843
   54    53 S   HC   _H8_    73     1.09324   111.32066   101.88364
   55    53 S   HC   _H9_    74     1.09367   112.47147   -19.68562
   56    53 S   HC   _H10    75     1.09484   110.64501  -137.67986
   57    51 S   CT   _C14    51     1.54238   111.29436  -103.32889
   58    57 S   HC   _H18    52     1.10010   108.46742  -155.10396
   59    57 S   HC   _H19    53     1.09788   110.93079   -42.96972
   60    51 S   OH   _O33    70     1.42732   108.45526   136.14646
   61    60 S   HO   _H20    71     0.97223   107.57923  -175.59144
   62    57 S   CT   _C13    54     1.54695   117.15142    83.76256
   63    62 S   HC   _H5_    55     1.09813   106.60116    73.38678
   64    62 S   CM   _C11    56     1.52287   120.16795   -50.88721
   65    62 S   OH   _O34    68     1.43363   107.67431  -173.38672
   66    65 S   HO   _H21    69     0.97231   107.61400   -57.42191
   67    64 S   CT   _C10    57     1.52002   118.16900   -57.89842
   68    67 S   HC   _H14    58     1.09865   107.07310   -76.20053
   69    67 S   HC   _H15    59     1.09294   109.55638    36.71063
   70    64 S   CM   _C12    65     1.34532   118.90900   125.85899
   71    70 S   HC   _H16    66     1.08555   121.47535    -2.18050
   72    70 S   HC   _H17    67     1.08351   122.39462   175.89888
   73    67 S   CT   _C9_    60     1.54859   119.85878   161.43287
   74    73 S   HC   _H12    61     1.09726   108.22195    70.56293
   75    73 S   HC   _H13    62     1.09833   106.97347  -176.32901
  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
  11   5   4   2   1   1  13   7   8   3   8  12   6  13   4   9
   4  12  14   7   5   2   1   1  11   6   5   2   1  11   5  11
   3   1   8   5   4   3   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    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    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44    73    48    49  
   35    39    40    41    48  
   39    40    41    48  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    67    73    74    75    48    49  
   41    42    43    44    73    48    49  
   42    43    44    45    46    73    48    49  
   43    44    48  
   44    45    46    47    50    73    48    49  
   45    46    47    50    51    67    73    74    75    48    49    53  
   46    47    50    73    48    49  
   47    50    51    52    57    73    48    49    60    53    54    55    56  
   50    51    48    53  
   49    50    64    67    68    69    73    74    75  
   67    73    74    75  
   51    52    57    58    59    62    60    61    53    54    55    56  
   52    57    58    59    62    63    64    65    60    61    53    54    55    56  
   57    58    59    62    60    61    53  
   54    55    56    57    60  
   55    56  
   56  
    0  
   58    59    62    63    64    67    70    65    66    60    61  
   59    62    63    64    65    60  
   62    63    64    65    60  
   61    62  
    0  
   63    64    67    68    69    73    70    71    72    65    66  
   64    67    70    65    66  
   67    68    69    73    74    75    70    71    72    65    66  
   66    67    70  
    0  
   68    69    73    74    75    70    71    72  
   69    73    74    75    70  
   73    74    75    70  
   71    72    73  
   72  
    0  
   74    75  
   75  
    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  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.4200   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   41   3.7500   0.1050   0.510000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.430000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.0000   0.1700  -0.330000   1.7660   1.5600   0.020110767  -0.896042159
   44   3.5000   0.0660   0.289000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   46   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.060000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   50   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   51   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   54   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   58   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   59   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   60   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   61   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   62   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   63   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   64   3.5500   0.0760   0.000000   2.0020   1.7750   0.023028004  -0.852763146
   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   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   68   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   69   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   70   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   71   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   72   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   73   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   74   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   75   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   317.000  1.522
   39    48   268.000  1.529
   41    42   570.000  1.229
   41    43   214.000  1.327
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   317.000  1.510
   44    48   268.000  1.529
   46    47   340.000  1.080
   46    50   549.000  1.340
   50    51   317.000  1.510
   50    53   317.000  1.510
   51    52   340.000  1.090
   51    57   268.000  1.529
   51    60   320.000  1.410
   57    58   340.000  1.090
   57    59   340.000  1.090
   57    62   268.000  1.529
   62    63   340.000  1.090
   62    64   317.000  1.510
   62    65   320.000  1.410
   64    67   317.000  1.510
   64    70   549.000  1.340
   67    68   340.000  1.090
   67    69   340.000  1.090
   67    73   268.000  1.529
   73    74   340.000  1.090
   73    75   340.000  1.090
   73    48   268.000  1.529
   48    49   340.000  1.090
   70    71   340.000  1.080
   70    72   340.000  1.080
   65    66   553.000  0.945
   60    61   553.000  0.945
   53    54   340.000  1.090
   53    55   340.000  1.090
   53    56   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    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    63.00000  111.10000
   33    39    48    58.35000  112.70000
   35    33    34    33.00000  107.80000
   39    33    34    37.50000  110.70000
   39    33    35    37.50000  110.70000
   39    41    42    80.00000  120.40000
   39    41    43    81.00000  111.40000
   39    48    44    58.35000  112.70000
   39    48    73    58.35000  112.70000
   39    48    49    37.50000  110.70000
   41    39    40    35.00000  109.50000
   41    43    44    83.00000  116.90000
   43    41    42    83.00000  123.40000
   43    44    45    35.00000  109.50000
   43    44    46    85.00000  110.90400
   43    44    48    50.00000  109.50000
   44    46    47    35.00000  117.00000
   44    46    50    70.00000  124.00000
   44    48    73    58.35000  112.70000
   44    48    49    37.50000  110.70000
   46    44    45    35.00000  109.50000
   46    50    51    70.00000  124.00000
   46    50    53    70.00000  124.00000
   50    46    47    35.00000  120.00000
   50    51    52    35.00000  109.50000
   50    51    57    70.00000  112.02700
   50    51    60    90.00000  110.39200
   50    53    54    35.00000  109.50000
   50    53    55    35.00000  109.50000
   50    53    56    35.00000  109.50000
   51    57    58    37.50000  110.70000
   51    57    59    37.50000  110.70000
   51    57    62    58.35000  112.70000
   51    60    61    55.00000  108.50000
   57    51    52    37.50000  110.70000
   57    62    63    37.50000  110.70000
   57    62    64    70.00000  112.02700
   57    62    65    50.00000  109.50000
   59    57    58    33.00000  107.80000
   62    57    58    37.50000  110.70000
   62    57    59    37.50000  110.70000
   62    64    67    65.00000  117.92700
   62    64    70    70.00000  124.00000
   62    65    66    55.00000  108.50000
   64    62    63    35.00000  109.50000
   64    67    68    35.00000  109.50000
   64    67    69    35.00000  109.50000
   64    67    73    70.00000  112.02700
   64    70    71    35.00000  120.00000
   64    70    72    35.00000  120.00000
   67    73    74    37.50000  110.70000
   67    73    75    37.50000  110.70000
   67    73    48    58.35000  112.70000
   69    67    68    33.00000  107.80000
   73    67    68    37.50000  110.70000
   73    67    69    37.50000  110.70000
   73    48    49    37.50000  110.70000
   75    73    74    33.00000  107.80000
   48    39    40    37.50000  110.70000
   48    39    41    63.00000  111.10000
   48    44    45    37.50000  110.70000
   48    44    46    70.00000  112.02700
   48    73    74    37.50000  110.70000
   48    73    75    37.50000  110.70000
   70    64    67    70.00000  124.00000
   72    70    71    35.00000  117.00000
   65    62    63    35.00000  109.50000
   65    62    64    90.00000  110.39200
   60    51    52    35.00000  109.50000
   60    51    57    50.00000  109.50000
   53    50    51    65.00000  117.92700
   55    53    54    33.00000  107.80000
   56    53    54    33.00000  107.80000
   56    53    55    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    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   0.56750  1.0 1.0
   29    33    39    41  -0.07550 -1.0 2.0
   29    33    39    41   0.20000  1.0 3.0
   29    33    39    48   0.44750  1.0 1.0
   29    33    39    48  -0.17800 -1.0 2.0
   29    33    39    48   0.20200  1.0 3.0
   33    39    41    42   0.30150 -1.0 2.0
   33    39    41    43   0.36750  1.0 3.0
   33    39    48    44   0.56750  1.0 1.0
   33    39    48    44  -0.07550 -1.0 2.0
   33    39    48    44   0.20000  1.0 3.0
   33    39    48    73   0.56750  1.0 1.0
   33    39    48    73  -0.07550 -1.0 2.0
   33    39    48    73   0.20000  1.0 3.0
   33    39    48    49   0.15000  1.0 3.0
   34    33    39    40   0.15000  1.0 3.0
   34    33    39    41  -0.11250  1.0 3.0
   34    33    39    48   0.15000  1.0 3.0
   35    33    39    40   0.15000  1.0 3.0
   35    33    39    41  -0.11250  1.0 3.0
   35    33    39    48   0.15000  1.0 3.0
   39    41   -43    44   1.63150  1.0 1.0
   39    41   -43    44   2.92000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    48    44   0.15000  1.0 3.0
   40    39    48    73   0.15000  1.0 3.0
   40    39    48    49   0.15000  1.0 3.0
   41    39   -48    44  -0.95700  1.0 1.0
   41    39   -48    44  -0.18200 -1.0 2.0
   41    39   -48    44   0.29450  1.0 3.0
   41    39    48    73  -0.95700  1.0 1.0
   41    39    48    73  -0.18200 -1.0 2.0
   41    39    48    73   0.29450  1.0 3.0
   41    39    48    49  -0.11250  1.0 3.0
   41    43    44    45   0.08050  1.0 3.0
   41    43    44    46  -0.82050  1.0 1.0
   41    43    44    46   0.00600 -1.0 2.0
   41    43    44    46   0.04400  1.0 3.0
   41    43   -44    48  -0.25900  1.0 1.0
   41    43   -44    48  -0.47000 -1.0 2.0
   41    43   -44    48   0.11750  1.0 3.0
   42    41    43    44   3.00000 -1.0 2.0
   43    44    46    47   0.00000  1.0 1.0
   43    44    46    50   0.39000  1.0 1.0
   43    44    46    50  -0.05800 -1.0 2.0
   43    44    46    50  -0.55150  1.0 3.0
   43    44   -48    39   0.62750  1.0 1.0
   43    44   -48    39  -0.30950 -1.0 2.0
   43    44   -48    39   0.27300  1.0 3.0
   43    44    48    73   0.62750  1.0 1.0
   43    44    48    73  -0.30950 -1.0 2.0
   43    44    48    73   0.27300  1.0 3.0
   43    44    48    49   0.23400  1.0 3.0
   44    46    50    51   7.00000 -1.0 2.0
   44    46    50    53   7.00000 -1.0 2.0
   45    44    46    47   0.33100  1.0 3.0
   45    44    46    50   0.00000  1.0 1.0
   45    44    48    39   0.15000  1.0 3.0
   45    44    48    73   0.15000  1.0 3.0
   45    44    48    49   0.15000  1.0 3.0
   46    44    48    39   0.34400  1.0 1.0
   46    44    48    39   0.09450 -1.0 2.0
   46    44    48    39   0.11100  1.0 3.0
   46    44    48    73   0.34400  1.0 1.0
   46    44    48    73   0.09450 -1.0 2.0
   46    44    48    73   0.11100  1.0 3.0
   46    44    48    49   0.15000  1.0 3.0
   46    50    51    52   0.00000  1.0 1.0
   46    50    51    57   0.09850  1.0 1.0
   46    50    51    57   0.15250 -1.0 2.0
   46    50    51    57  -0.50650  1.0 3.0
   46    50    51    60   0.67800  1.0 1.0
   46    50    51    60   0.47050 -1.0 2.0
   46    50    51    60  -0.62500  1.0 3.0
   46    50    53    54   0.00000  1.0 1.0
   46    50    53    55   0.00000  1.0 1.0
   46    50    53    56   0.00000  1.0 1.0
   47    46    50    51   7.00000 -1.0 2.0
   47    46    50    53   7.00000 -1.0 2.0
   50    51    57    58   0.15000  1.0 3.0
   50    51    57    59   0.15000  1.0 3.0
   50    51    57    62   0.34400  1.0 1.0
   50    51    57    62   0.09450 -1.0 2.0
   50    51    57    62   0.11100  1.0 3.0
   50    51    60    61  -0.07800  1.0 1.0
   50    51    60    61  -0.21500 -1.0 2.0
   50    51    60    61  -0.03150  1.0 3.0
   51    50    53    54   0.34800  1.0 3.0
   51    50    53    55   0.34800  1.0 3.0
   51    50    53    56   0.34800  1.0 3.0
   51    57    62    63   0.15000  1.0 3.0
   51    57    62    64   0.34400  1.0 1.0
   51    57    62    64   0.09450 -1.0 2.0
   51    57    62    64   0.11100  1.0 3.0
   51    57    62    65   0.86500  1.0 1.0
   51    57    62    65  -0.17500 -1.0 2.0
   51    57    62    65   0.20800  1.0 3.0
   52    51    57    58   0.15000  1.0 3.0
   52    51    57    59   0.15000  1.0 3.0
   52    51    57    62   0.15000  1.0 3.0
   52    51    60    61   0.19450  1.0 3.0
   57    51    60    61  -0.11600  1.0 1.0
   57    51    60    61  -0.09450 -1.0 2.0
   57    51    60    61   0.21250  1.0 3.0
   57    62    64    67   0.46850  1.0 1.0
   57    62    64    67   0.08550 -1.0 2.0
   57    62    64    67   0.09800  1.0 3.0
   57    62    64    70   0.09850  1.0 1.0
   57    62    64    70   0.15250 -1.0 2.0
   57    62    64    70  -0.50650  1.0 3.0
   57    62    65    66  -0.11600  1.0 1.0
   57    62    65    66  -0.09450 -1.0 2.0
   57    62    65    66   0.21250  1.0 3.0
   58    57    62    63   0.15000  1.0 3.0
   58    57    62    64   0.15000  1.0 3.0
   58    57    62    65   0.23400  1.0 3.0
   59    57    62    63   0.15000  1.0 3.0
   59    57    62    64   0.15000  1.0 3.0
   59    57    62    65   0.23400  1.0 3.0
   62    64    67    68   0.34800  1.0 3.0
   62    64    67    69   0.34800  1.0 3.0
   62    64    67    73   0.46850  1.0 1.0
   62    64    67    73   0.08550 -1.0 2.0
   62    64    67    73   0.09800  1.0 3.0
   62    64    70    71   7.00000 -1.0 2.0
   62    64    70    72   7.00000 -1.0 2.0
   63    62    64    67   0.34800  1.0 3.0
   63    62    64    70   0.00000  1.0 1.0
   63    62    65    66   0.19450  1.0 3.0
   64    62    65    66  -0.07800  1.0 1.0
   64    62    65    66  -0.21500 -1.0 2.0
   64    62    65    66  -0.03150  1.0 3.0
   64    67    73    74   0.15000  1.0 3.0
   64    67    73    75   0.15000  1.0 3.0
   64    67    73    48   0.34400  1.0 1.0
   64    67    73    48   0.09450 -1.0 2.0
   64    67    73    48   0.11100  1.0 3.0
   67    64    70    71   7.00000 -1.0 2.0
   67    64    70    72   7.00000 -1.0 2.0
   67    73    48    39   0.56750  1.0 1.0
   67    73    48    39  -0.07550 -1.0 2.0
   67    73    48    39   0.20000  1.0 3.0
   67    73    48    44   0.56750  1.0 1.0
   67    73    48    44  -0.07550 -1.0 2.0
   67    73    48    44   0.20000  1.0 3.0
   67    73    48    49   0.15000  1.0 3.0
   68    67    73    74   0.15000  1.0 3.0
   68    67    73    75   0.15000  1.0 3.0
   68    67    73    48   0.15000  1.0 3.0
   69    67    73    74   0.15000  1.0 3.0
   69    67    73    75   0.15000  1.0 3.0
   69    67    73    48   0.15000  1.0 3.0
   74    73    48    39   0.15000  1.0 3.0
   74    73    48    44   0.15000  1.0 3.0
   74    73    48    49   0.15000  1.0 3.0
   75    73    48    39   0.15000  1.0 3.0
   75    73    48    44   0.15000  1.0 3.0
   75    73    48    49   0.15000  1.0 3.0
   48    39    41    42   0.30150 -1.0 2.0
   48    39   -41    43   0.36750  1.0 3.0
   48    44    46    47   0.00000  1.0 1.0
   48    44    46    50   0.09850  1.0 1.0
   48    44    46    50   0.15250 -1.0 2.0
   48    44    46    50  -0.50650  1.0 3.0
   70    64    67    68   0.00000  1.0 1.0
   70    64    67    69   0.00000  1.0 1.0
   70    64    67    73   0.09850  1.0 1.0
   70    64    67    73   0.15250 -1.0 2.0
   70    64    67    73  -0.50650  1.0 3.0
   65    62    64    67   0.18000  1.0 1.0
   65    62    64    67   0.16450 -1.0 2.0
   65    62    64    67   0.04450  1.0 3.0
   65    62    64    70   0.67800  1.0 1.0
   65    62    64    70   0.47050 -1.0 2.0
   65    62    64    70  -0.62500  1.0 3.0
   60    51    57    58   0.23400  1.0 3.0
   60    51    57    59   0.23400  1.0 3.0
   60    51    57    62   0.86500  1.0 1.0
   60    51    57    62  -0.17500 -1.0 2.0
   60    51    57    62   0.20800  1.0 3.0
   53    50    51    52   0.34800  1.0 3.0
   53    50    51    57   0.46850  1.0 1.0
   53    50    51    57   0.08550 -1.0 2.0
   53    50    51    57   0.09800  1.0 3.0
   53    50    51    60   0.18000  1.0 1.0
   53    50    51    60   0.16450 -1.0 2.0
   53    50    51    60   0.04450  1.0 3.0
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
   39    43    41    42  10.50000 -1.0 2.0
   44    47    46    50   1.10000 -1.0 2.0
   51    53    50    46   1.10000 -1.0 2.0
   62    67    64    70   1.10000 -1.0 2.0
   71    72    70    64   1.10000 -1.0 2.0
END
