* LIGAND DATABASE FILE (OPLS2005)
*
001      66    67    117    172     332
    1     0 S   NP   _N1_     1    29.42811    94.93119   -28.02975
    2     1 S   H    _HN1     2     1.02949    70.42308    17.23269
    3     1 S   H    _H1_     3     1.02828    38.15929  -145.92539
    4     1 S   H    _H2_     4     1.02790   130.01611   -80.71628
    5     1 S   CT   _CA1     5     1.50117   114.61597   121.36506
    6     5 S   HC   _HA1     6     1.09573   105.18041   100.53341
    7     5 S   CO3  _C1_     7     1.53779   112.48277   -19.69849
    8     7 S   O2Z  _O11     8     1.26375   115.00325   -42.08682
    9     7 S   O2Z  _O12     9     1.26239   114.94500   137.01615
   10     5 S   CT   _CB1    10     1.53071   107.41832  -141.47150
   11    10 S   HC   HB11    11     1.09837   109.35941   -49.46153
   12    10 S   HC   HB12    12     1.09812   110.45566    67.14302
   13    10 S   CT   _CG1    13     1.53004   112.62209  -170.41540
   14    13 S   HC   HG11    14     1.09574   110.68802   -66.47903
   15    13 S   HC   HG12    15     1.09671   109.73690    52.76507
   16    13 S   C    _CD1    16     1.51803   112.11883   173.24373
   17    16 S   O    _OE1    17     1.22742   123.24690     9.86841
   18    16 S   N    _N2_    18     1.38663   111.75808  -170.27401
   19    18 S   H    _HN2    19     1.01585   118.94215     1.49907
   20    18 S   CT1  _CA2    20     1.46183   123.34211   176.78752
   21    20 S   HC   _HA2    21     1.09738   109.32161     4.60296
   22    20 S   C    _C2_    22     1.53599   108.74571  -110.87076
   23    22 S   O    _O2_    23     1.23068   122.21370  -148.47049
   24    20 S   CT   _CB2    32     1.53290   111.65556   126.59055
   25    24 S   HC   HB21    33     1.09587   110.19617    56.46161
   26    24 S   HC   HB22    34     1.09529   110.20064   175.57774
   27    22 S   N    _N3_    24     1.38304   113.78620    39.00081
   28    27 S   H    _HN3    25     1.01569   119.61176    -3.29568
   29    24 S   S    _SG2    35     1.82513   111.72240   -64.53938
   30    27 S   CT   _CA3    26     1.45291   123.26233   177.15662
   31    30 S   HC   HA31    27     1.09548   107.51231   -64.72658
   32    30 S   HC   HA32    28     1.09555   107.99487    51.72887
   33    29 S   CT   _C7_    36     1.81535    98.65250  -177.49321
   34    33 S   F    F1__    37     1.36015   110.18422   -53.20966
   35    33 S   HC   _H3_    38     1.09318   108.61980    64.53688
   36    30 S   CO3  _C3_    29     1.52973   114.04047   173.72718
   37    36 S   O2Z  _O31    30     1.26382   116.05963    -0.54787
   38    36 S   O2Z  _O32    31     1.26423   114.42419   179.50981
   39    33 S   N    _N6_    39     1.45379   111.37844  -175.07176
   40    39 S   CDX  _C5_    40     1.34426   128.98043   -98.20461
   41    40 S   NI   _N4_    41     1.29775   114.74002   177.37848
   42    40 S   CT   _C4_    63     1.49209   122.27999    -2.90845
   43    42 S   HC   _H4_    64     1.09359   109.47399   -64.29790
   44    42 S   HC   _H5_    65     1.09321   110.39647   175.59109
   45    42 S   HC   _H6_    66     1.09334   109.95013    55.10057
   46    41 S   N    _N5_    42     1.37052   105.28211    -0.70610
   47    46 S   CA   _C8_    43     1.42370   121.14641   178.73638
   48    39 S   C    _C6_    61     1.38654   124.99556    77.05706
   49    48 S   O    _O33    62     1.22260   125.79282     1.15741
   50    47 S   CA   _C9_    44     1.41305   119.08274  -168.61038
   51    50 S   HA   _H7_    45     1.08742   119.63058    -0.53595
   52    50 S   CA   _C10    46     1.41573   123.98083   178.55274
   53    52 S   CA   _C11    47     1.40226   116.68924     2.36389
   54    53 S   Cl   Cl2_    48     1.73517   121.74772   177.94958
   55    52 S   NM   _N7_    53     1.35627   121.51143   179.17433
   56    53 S   CA   _C12    49     1.39572   121.03353    -2.24306
   57    56 S   HA   _H8_    50     1.08903   119.30338  -179.64392
   58    55 S   SY   _S1_    54     1.59706   120.84165    65.02734
   59    58 S   OY   _O34    55     1.46069   117.27460   -35.27697
   60    58 S   OY   _O35    56     1.46109   114.30550  -174.04333
   61    47 S   CA   _C13    51     1.40913   124.19098    10.94530
   62    61 S   Cl   Cl1_    52     1.73447   124.85750     2.43220
   63    58 S   CT   _C14    57     1.78260   100.80881    76.16667
   64    63 S   HC   _H9_    58     1.09309   108.02396   176.43927
   65    63 S   HC   _H10    59     1.09193   109.73774   -64.52875
   66    63 S   HC   _H11    60     1.09221   109.39714    57.44977
  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   6   5   4   3
   9   4   3   2   1   1  10   9  10   5   2   1   1   9  11   3
   1   9   4  10   7   4   8   3   2   6   5   4   1   1   3   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    48  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    46    48    49    42  
   35    39    40    48  
   39    40    48  
   37    38  
   38  
    0  
   40    41    46    47    48    49    42    43    44    45  
   41    46    47    48    49    42    43    44    45  
   46    47    50    61    48    49    42    43    44    45  
   43    44    45    46    48  
   44    45  
   45  
    0  
   47    50    51    52    56    61    62    48    49  
   50    51    52    53    56    57    61    62    55    48    49  
   49    50    61  
    0  
   51    52    53    54    56    61    62    55    58  
   52    53    61    55  
   53    54    56    57    61    55    58    59    60    63  
   54    56    57    61    62    55    58  
   56    57    61    55  
   58    59    60    63    64    65    66    56  
   57    61    62  
   61    62  
   59    60    63    64    65    66  
   60    63    64    65    66  
   63    64    65    66  
   62  
    0  
   64    65    66  
   65    66  
   66  
    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  -0.175000   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   0.250000   1.9750   1.7500   0.005000000  -0.741685710
   34   2.9400   0.0610  -0.220000   2.4980   2.2250   0.001000000   0.985400000
   35   2.5000   0.0300   0.100000   1.3810   1.2100   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   3.2500   0.1700  -0.367500   1.8100   1.6000   0.054801302  -1.445846770
   40   3.7500   0.1050   0.481500   2.0020   1.7750   0.023028004  -0.852763146
   41   3.2800   0.1700  -0.359000   1.8540   1.6400   0.005000000   0.000000000
   42   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   43   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   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   3.2500   0.1700  -0.207500   1.8100   1.6000   0.054801302  -1.445846770
   47   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   48   3.7500   0.1050   0.861300   1.9250   1.7000   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.616300   1.5250   1.4250   0.001000000  -1.480495490
   50   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   51   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   52   3.5500   0.0700  -0.542400   2.0020   1.7750   0.001000000  -0.843144165
   53   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   54   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   55   3.4200   0.1700  -0.252300   1.9310   1.7100   0.005000000   0.000000000
   56   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   57   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   58   3.5500   0.2500   1.494700   2.0020   1.7750   0.025682759  -1.666211680
   59   2.9600   0.1700  -0.784100   1.6780   1.4800   0.001000000  -0.126889456
   60   2.9600   0.1700  -0.784100   1.6780   1.4800   0.001000000  -0.126889456
   61   3.5500   0.0700   0.180000   2.5000   1.7750   0.001000000  -0.843144165
   62   3.4000   0.3000  -0.180000   2.1950   1.9500   0.001000000   0.320982824
   63   3.5000   0.0660  -0.716800   1.9750   1.7500   0.005000000  -0.741685710
   64   2.5000   0.0300   0.195000   1.4250   1.2500   0.008598240   0.268726247
   65   2.5000   0.0300   0.195000   1.4250   1.2500   0.008598240   0.268726247
   66   2.5000   0.0300   0.195000   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   367.000  1.332
   33    35   340.000  1.090
   33    39   337.000  1.449
   39    40   400.000  1.380
   39    48   490.000  1.335
   40    41   650.000  1.285
   40    42   260.000  1.508
   41    46   305.000  1.341
   46    47   360.000  1.404
   46    48   490.000  1.335
   47    50   469.000  1.400
   47    61   469.000  1.400
   50    51   367.000  1.080
   50    52   469.000  1.400
   52    53   469.000  1.400
   52    55   515.000  1.335
   53    54   300.000  1.725
   53    56   469.000  1.400
   56    57   367.000  1.080
   56    61   469.000  1.400
   61    62   300.000  1.725
   55    58   350.000  1.613
   58    59   735.000  1.471
   58    60   735.000  1.471
   58    63   205.000  1.840
   63    64   340.000  1.090
   63    65   340.000  1.090
   63    66   340.000  1.090
   48    49   570.000  1.229
   42    43   340.000  1.090
   42    44   340.000  1.090
   42    45   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    90.00000  110.13500
   29    33    35    35.00000  109.50000
   29    33    39    80.00000  108.62000
   33    39    40    70.00000  118.08000
   33    39    48    50.00000  121.90000
   35    33    34    40.00000  107.00000
   39    33    34    95.00000  109.00000
   39    33    35    35.00000  109.50000
   39    40    41    80.00000  119.04400
   39    40    42    70.00000  106.88000
   39    48    46    90.00000  111.91700
   39    48    49    80.00000  122.90000
   40    41    46   110.00000  108.05000
   40    42    43    45.00000  109.58200
   40    42    44    45.00000  109.58200
   40    42    45    45.00000  109.58200
   41    46    47    75.00000  123.91000
   41    46    48    75.00000  121.16600
   46    47    50    70.00000  119.01900
   46    47    61    70.00000  119.01900
   46    48    49    80.00000  122.90000
   47    50    51    35.00000  120.00000
   47    50    52    63.00000  120.00000
   47    61    56    63.00000  120.00000
   47    61    62    75.00000  120.00000
   50    52    53    63.00000  120.00000
   50    52    55    65.00000  124.38400
   52    50    51    35.00000  120.00000
   52    53    54    75.00000  120.00000
   52    53    56    63.00000  120.00000
   52    55    58    75.00000  122.36500
   53    56    57    35.00000  120.00000
   53    56    61    63.00000  120.00000
   56    53    54    75.00000  120.00000
   56    61    62    75.00000  120.00000
   61    47    50    63.00000  120.00000
   61    56    57    35.00000  120.00000
   55    52    53    65.00000  124.38400
   55    58    59   105.00000  114.79700
   55    58    60   105.00000  114.79700
   55    58    63   100.00000  102.99600
   58    63    64    45.00000  108.39800
   58    63    65    45.00000  108.39800
   58    63    66    45.00000  108.39800
   60    58    59   115.00000  120.17200
   63    58    59   100.00000  108.55000
   63    58    60   100.00000  108.55000
   65    63    64    33.00000  107.80000
   66    63    64    33.00000  107.80000
   66    63    65    33.00000  107.80000
   48    39    40    70.00000  120.51600
   48    46    47    65.00000  121.96500
   42    40    41    70.00000  118.34500
   44    42    43    33.00000  107.80000
   45    42    43    33.00000  107.80000
   45    42    44    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   0.01700  1.0 1.0
   24    29    33    34  -0.23550 -1.0 2.0
   24    29    33    34   0.21350  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   0.17850 -1.0 2.0
   29    33    39    48  -0.42300  1.0 1.0
   29    33    39    48  -0.07000 -1.0 2.0
   29    33    39    48   0.04150  1.0 3.0
   33    39    40    41   1.00000 -1.0 2.0
   33    39    40    42   1.00000 -1.0 2.0
   33    39    48    46   4.56800  1.0 1.0
   33    39    48    46   0.31650 -1.0 2.0
   33    39    48    49   3.04450 -1.0 2.0
   34    33    39    40   0.17850 -1.0 2.0
   34    33    39    48  -0.42300  1.0 1.0
   34    33    39    48  -0.07000 -1.0 2.0
   34    33    39    48   0.04150  1.0 3.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    48   0.00000  1.0 1.0
   39    40   -41    46   6.00000 -1.0 2.0
   39    40    42    43  -0.18050  1.0 3.0
   39    40    42    44  -0.18050  1.0 3.0
   39    40    42    45  -0.18050  1.0 3.0
   40    39   -48    46   4.59200  1.0 1.0
   40    39   -48    46   0.41200 -1.0 2.0
   40    39    48    49   2.67200 -1.0 2.0
   40    41    46    47   2.14300 -1.0 2.0
   40    41   -46    48   1.42450 -1.0 2.0
   41    40    42    43   0.00000  1.0 1.0
   41    40    42    44   0.00000  1.0 1.0
   41    40    42    45   0.00000  1.0 1.0
   41    46    47    50   0.96250 -1.0 2.0
   41    46    47    61   0.96250 -1.0 2.0
   41    46   -48    39   0.63000  1.0 1.0
   41    46   -48    39   1.73150 -1.0 2.0
   41    46    48    49  -0.75150  1.0 1.0
   41    46    48    49   0.83450 -1.0 2.0
   46    47    50    51   3.62500 -1.0 2.0
   46    47    50    52   3.62500 -1.0 2.0
   46    47    61    56   3.62500 -1.0 2.0
   46    47    61    62   3.62500 -1.0 2.0
   47    46    48    39   0.54900  1.0 1.0
   47    46    48    39   1.90750 -1.0 2.0
   47    46    48    49   0.04000 -1.0 2.0
   47    50    52    53   3.62500 -1.0 2.0
   47    50    52    55   3.62500 -1.0 2.0
   50    47    61    56   3.62500 -1.0 2.0
   50    47    61    62   3.62500 -1.0 2.0
   50    52    53    54   3.62500 -1.0 2.0
   50    52   -53    56   3.62500 -1.0 2.0
   50    52    55    58   1.50000 -1.0 2.0
   51    50    52    53   3.62500 -1.0 2.0
   51    50    52    55   3.62500 -1.0 2.0
   52    53    56    57   3.62500 -1.0 2.0
   52    53    56    61   3.62500 -1.0 2.0
   52    55    58    59  -0.23550  1.0 1.0
   52    55    58    59   0.77000 -1.0 2.0
   52    55    58    59   0.47650  1.0 3.0
   52    55    58    60  -0.23550  1.0 1.0
   52    55    58    60   0.77000 -1.0 2.0
   52    55    58    60   0.47650  1.0 3.0
   52    55    58    63   0.34100  1.0 1.0
   52    55    58    63  -0.43950 -1.0 2.0
   52    55    58    63   0.17850  1.0 3.0
   53    52    55    58   1.50000 -1.0 2.0
   53    56   -61    47   3.62500 -1.0 2.0
   53    56    61    62   3.62500 -1.0 2.0
   54    53    56    57   3.62500 -1.0 2.0
   54    53    56    61   3.62500 -1.0 2.0
   57    56    61    47   3.62500 -1.0 2.0
   57    56    61    62   3.62500 -1.0 2.0
   61    47    50    51   3.62500 -1.0 2.0
   61    47   -50    52   3.62500 -1.0 2.0
   55    52    53    54   3.62500 -1.0 2.0
   55    52    53    56   3.62500 -1.0 2.0
   55    58    63    64  -0.06500  1.0 3.0
   55    58    63    65  -0.06500  1.0 3.0
   55    58    63    66  -0.06500  1.0 3.0
   59    58    63    64   0.26000  1.0 3.0
   59    58    63    65   0.26000  1.0 3.0
   59    58    63    66   0.26000  1.0 3.0
   60    58    63    64   0.26000  1.0 3.0
   60    58    63    65   0.26000  1.0 3.0
   60    58    63    66   0.26000  1.0 3.0
   48    39   -40    41  -0.56400  1.0 1.0
   48    39   -40    41   0.77500 -1.0 2.0
   48    39   -40    41   0.18700  1.0 3.0
   48    39    40    42  -0.45200  1.0 1.0
   48    39    40    42   0.85900 -1.0 2.0
   48    39    40    42   0.16650  1.0 3.0
   48    46    47    50   1.00100  1.0 1.0
   48    46    47    50   0.85050 -1.0 2.0
   48    46    47    61   1.00100  1.0 1.0
   48    46    47    61   0.85050 -1.0 2.0
   42    40    41    46   6.00000 -1.0 2.0
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
   48    40    39    33   1.00000 -1.0 2.0
   39    42    40    41  10.50000 -1.0 2.0
   47    48    46    41   1.00000 -1.0 2.0
   50    61    47    46   4.00000 -1.0 2.0
   52    51    50    47   1.10000 -1.0 2.0
   53    55    52    50   4.00000 -1.0 2.0
   56    54    53    52   4.00000 -1.0 2.0
   61    57    56    53   1.10000 -1.0 2.0
   56    62    61    47   4.00000 -1.0 2.0
   39    46    48    49  10.50000 -1.0 2.0
END
