* LIGAND DATABASE FILE (OPLS2005)
*
001      61    61    107    163     315
    1     0 S   NP   _N1_     1    29.23154    95.26543   -19.14122
    2     1 S   H    _HN1     2     1.02784    74.51192  -123.67062
    3     1 S   H    _H1_     3     1.02935    81.62990   -12.02661
    4     1 S   H    _H2_     4     1.02842    51.78086   107.85651
    5     1 S   CT   _CA1     5     1.50160   162.04306   122.26310
    6     5 S   HC   _HA1     6     1.09585   105.22045    47.94633
    7     5 S   CO3  _C1_     7     1.54044   111.61261   -71.94242
    8     7 S   O2Z  _O11     8     1.26372   115.23563   -59.71795
    9     7 S   O2Z  _O12     9     1.26226   114.85502   118.55592
   10     5 S   CT   _CB1    10     1.53093   107.27803   165.49512
   11    10 S   HC   HB11    11     1.09823   109.86820   -48.62234
   12    10 S   HC   HB12    12     1.09801   110.29480    68.03123
   13    10 S   CT   _CG1    13     1.52961   112.32723  -169.47952
   14    13 S   HC   HG11    14     1.09369   110.21951   -54.22413
   15    13 S   HC   HG12    15     1.09616   110.12557    64.76029
   16    13 S   C    _CD1    16     1.51748   112.12752  -174.55223
   17    16 S   O    _OE1    17     1.22788   123.07596    -7.18679
   18    16 S   N    _N2_    18     1.38520   111.92631   172.91114
   19    18 S   H    _HN2    19     1.02022   119.29391     1.86067
   20    18 S   CT1  _CA2    20     1.46006   123.42942  -176.07250
   21    20 S   HC   _HA2    21     1.09742   108.86565     4.08188
   22    20 S   C    _C2_    22     1.53550   110.31274  -111.88853
   23    22 S   O    _O2_    23     1.23136   121.69713  -155.44050
   24    20 S   CT   _CB2    32     1.53535   111.60567   125.03900
   25    24 S   HC   HB21    33     1.09379   110.58552    66.30567
   26    24 S   HC   HB22    34     1.09577   109.88824  -176.53333
   27    22 S   N    _N3_    24     1.38349   114.12168    32.13486
   28    27 S   H    _HN3    25     1.01466   118.84589    -2.26736
   29    24 S   S    _SG2    35     1.82980   112.01650   -57.87165
   30    27 S   CT   _CA3    26     1.45433   123.63236   175.37780
   31    30 S   HC   HA31    27     1.09515   109.42405    21.27053
   32    30 S   HC   HA32    28     1.09507   107.08896   138.20120
   33    29 S   CT   _C13    36     1.85112   100.45036   126.28591
   34    33 S   HC   _H5_    37     1.09507   106.32196    47.79807
   35    30 S   CO3  _C3_    29     1.52885   112.95808  -102.37266
   36    35 S   O2Z  _O31    30     1.26423   115.33723   -49.46556
   37    35 S   O2Z  _O32    31     1.26362   115.09100   131.50827
   38    33 S   CM   _C11    38     1.50752   109.71200   -73.28628
   39    38 S   CM   _C10    39     1.44469   119.37609   -84.98278
   40    39 S   HC   _H9_    40     1.08589   118.46027   170.22097
   41    38 S   CMA  _C12    59     1.51294   122.29234   103.32782
   42    41 S   OM   _O36    60     1.26271   120.41203    54.08055
   43    41 S   OM   _O37    61     1.26374   121.09075  -125.49516
   44    39 S   CM   _C9_    41     1.33974   121.84700    -9.24992
   45    44 S   HC   _H8_    42     1.08685   118.70933   177.54473
   46    44 S   CT   _C8_    43     1.50246   122.89696    -3.79674
   47    46 S   HC   _H4_    44     1.09579   109.65118   110.51905
   48    33 S   CT   _C7_    45     1.55092   111.47807   165.56830
   49    48 S   HC   _H3_    46     1.10255   107.68416  -172.90759
   50    46 S   NP   _N4_    55     1.49687   110.90980  -134.67970
   51    50 S   H    _H10    56     1.03401   111.05924   173.86486
   52    50 S   H    _H11    57     1.02840   111.47283    55.46338
   53    50 S   H    _H12    58     1.02706   111.92470   -65.64156
   54    48 S   OS   _O35    47     1.44134   110.23353   -52.32109
   55    54 S   CM   _C5_    48     1.38251   112.64521  -100.23039
   56    55 S   CM   _C4_    49     1.33742   120.78848   105.75679
   57    56 S   HC   _H6_    50     1.08504   120.60961    -2.96748
   58    56 S   HC   _H7_    51     1.08450   122.02148   177.09020
   59    55 S   CO3  _C6_    52     1.54708   117.54741   -79.80355
   60    59 S   O2Z  _O34    53     1.26354   116.29455   162.95427
   61    59 S   O2Z  _O33    54     1.26745   114.76699   -16.59800
  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   9   5   4   3
  15   7   2   1   1  11  10   4   4   1   1  10   4   9   7   9
   3   4   2   1   1   7   6   5   2   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    48    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    46    48    49    54    41  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    44    46    47    48    49    54    55    50    41    42    43  
   38    39    46    48    49    54    41  
   36    37  
   37  
    0  
   39    40    44    45    46    48    49    54    41    42    43  
   40    44    45    46    47    48    50    41    42    43  
   44    45    46    41  
   42    43    44    48  
   43  
    0  
   45    46    47    48    49    54    50    51    52    53  
   46    47    48    50  
   47    48    49    54    55    50    51    52    53  
   48    49    54    50    51    52    53  
   49    54    55    56    59    50    51    52    53  
   54    55    50  
   51    52    53    54  
   52    53  
   53  
    0  
   55    56    57    58    59    60    61  
   56    57    58    59    60    61  
   57    58    59    60    61  
   58    59  
   59  
   60    61  
   61  
    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   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5500   0.0760  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   40   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   43   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   44   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   45   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660   0.025600   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   48   3.5000   0.0660   0.394400   1.9750   1.7500   0.005000000  -0.741685710
   49   2.5000   0.0300   0.030000   1.6450   1.4500   0.008598240   0.268726247
   50   3.2500   0.1700  -0.300000   2.2900   2.0360   0.003973653   1.685851020
   51   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   52   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   53   0.5000   0.0300   0.330000   0.9960   0.8600   0.030040813  -0.651083722
   54   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   55   3.5500   0.0760  -0.225300   2.0020   1.7750   0.023028004  -0.852763146
   56   3.5500   0.0760  -0.230000   2.0020   1.7750   0.023028004  -0.852763146
   57   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   58   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   59   3.7500   0.1050   0.910300   2.1120   1.8750   0.001000000  -0.126889456
   60   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   61   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
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    35   317.000  1.522
   35    36   656.000  1.250
   35    37   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    38   317.000  1.510
   33    48   268.000  1.529
   38    39   380.000  1.444
   38    41   465.000  1.376
   39    40   340.000  1.080
   39    44   549.000  1.340
   44    45   340.000  1.080
   44    46   317.000  1.510
   46    47   340.000  1.090
   46    48   268.000  1.529
   46    50   367.000  1.471
   48    49   340.000  1.090
   48    54   320.000  1.410
   54    55   440.000  1.360
   55    56   549.000  1.340
   55    59   230.000  1.545
   56    57   340.000  1.080
   56    58   340.000  1.080
   59    60   656.000  1.250
   59    61   656.000  1.250
   50    51   434.000  1.010
   50    52   434.000  1.010
   50    53   434.000  1.010
   41    42   745.000  1.250
   41    43   745.000  1.250
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    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    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    38    75.00000  112.20000
   29    33    48    75.00000  111.63000
   33    38    39    70.00000  124.00000
   33    38    41    70.00000  124.00000
   33    48    46    58.35000  112.70000
   33    48    49    37.50000  110.70000
   33    48    54    50.00000  109.50000
   38    33    34    35.00000  109.50000
   38    39    40    35.00000  120.00000
   38    39    44    70.00000  123.01800
   38    41    42    65.00000  137.10300
   38    41    43    65.00000  137.10300
   39    44    45    35.00000  120.00000
   39    44    46    70.00000  124.00000
   44    39    40    35.00000  120.00000
   44    46    47    35.00000  109.50000
   44    46    48    70.00000  112.02700
   44    46    50    75.00000  110.06800
   46    44    45    35.00000  117.00000
   46    48    49    37.50000  110.70000
   46    48    54    50.00000  109.50000
   46    50    51    35.00000  109.50000
   46    50    52    35.00000  109.50000
   46    50    53    35.00000  109.50000
   48    33    34    37.50000  110.70000
   48    33    38    70.00000  112.02700
   48    46    47    37.50000  110.70000
   48    54    55    90.00000  111.18400
   54    48    49    35.00000  109.50000
   54    55    56    80.00000  120.01400
   54    55    59    80.00000  119.00000
   55    56    57    35.00000  120.00000
   55    56    58    35.00000  120.00000
   55    59    60    85.00000  113.83300
   55    59    61    85.00000  113.83300
   58    56    57    35.00000  117.00000
   59    55    56    55.00000  124.75400
   61    59    60    80.00000  126.00000
   50    46    47    35.00000  109.50000
   50    46    48    80.00000  111.20000
   52    50    51    35.00000  109.50000
   53    50    51    35.00000  109.50000
   53    50    52    35.00000  109.50000
   41    38    39    70.00000  117.34000
   43    41    42    65.00000  121.00000
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    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -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    35    36   0.00000  1.0 1.0
   27    30    35    37   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    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   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    38  -0.62250  1.0 1.0
   24    29    33    38  -0.38450 -1.0 2.0
   24    29    33    38   0.81900  1.0 3.0
   24    29    33    48   0.01700  1.0 1.0
   24    29    33    48  -0.23550 -1.0 2.0
   24    29    33    48   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    38    39   0.42700  1.0 1.0
   29    33    38    39  -0.70350 -1.0 2.0
   29    33    38    39  -0.43150  1.0 3.0
   29    33    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    48    46   0.44750  1.0 1.0
   29    33    48    46  -0.17800 -1.0 2.0
   29    33    48    46   0.20200  1.0 3.0
   29    33    48    49   0.15000  1.0 3.0
   29    33    48    54   0.56750  1.0 1.0
   29    33    48    54  -0.07550 -1.0 2.0
   29    33    48    54   0.20000  1.0 3.0
   33    38    39    40   0.00000  1.0 1.0
   33    38    39    44  -0.18600  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    43   7.00000 -1.0 2.0
   33    48    54    55  -0.46850  1.0 1.0
   33    48    54    55   0.09300 -1.0 2.0
   33    48    54    55  -0.12850  1.0 3.0
   34    33    38    39   0.00000  1.0 1.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    48    46   0.15000  1.0 3.0
   34    33    48    49   0.15000  1.0 3.0
   34    33    48    54   0.23400  1.0 3.0
   38    33    48    46   0.34400  1.0 1.0
   38    33    48    46   0.09450 -1.0 2.0
   38    33    48    46   0.11100  1.0 3.0
   38    33    48    49   0.15000  1.0 3.0
   38    33    48    54   0.61850  1.0 1.0
   38    33    48    54  -0.22750 -1.0 2.0
   38    33    48    54   0.15300  1.0 3.0
   38    39    44    45   7.00000 -1.0 2.0
   38    39   -44    46   7.00000 -1.0 2.0
   39    38    41    42   7.00000 -1.0 2.0
   39    38    41    43   7.00000 -1.0 2.0
   39    44    46    47   0.00000  1.0 1.0
   39    44    46    48   0.09850  1.0 1.0
   39    44    46    48   0.15250 -1.0 2.0
   39    44    46    48  -0.50650  1.0 3.0
   39    44    46    50   0.80850  1.0 1.0
   39    44    46    50  -0.47300 -1.0 2.0
   39    44    46    50  -0.52300  1.0 3.0
   40    39    44    45   7.00000 -1.0 2.0
   40    39    44    46   7.00000 -1.0 2.0
   44    46   -48    33   0.34400  1.0 1.0
   44    46   -48    33   0.09450 -1.0 2.0
   44    46   -48    33   0.11100  1.0 3.0
   44    46    48    49   0.15000  1.0 3.0
   44    46    48    54   0.61850  1.0 1.0
   44    46    48    54  -0.22750 -1.0 2.0
   44    46    48    54   0.15300  1.0 3.0
   44    46    50    51   0.17350  1.0 3.0
   44    46    50    52   0.17350  1.0 3.0
   44    46    50    53   0.17350  1.0 3.0
   45    44    46    47   0.33100  1.0 3.0
   45    44    46    48   0.00000  1.0 1.0
   45    44    46    50   0.00000  1.0 1.0
   46    48    54    55  -0.46850  1.0 1.0
   46    48    54    55   0.09300 -1.0 2.0
   46    48    54    55  -0.12850  1.0 3.0
   47    46    48    33   0.15000  1.0 3.0
   47    46    48    49   0.15000  1.0 3.0
   47    46    48    54   0.23400  1.0 3.0
   47    46    50    51   0.13050  1.0 3.0
   47    46    50    52   0.13050  1.0 3.0
   47    46    50    53   0.13050  1.0 3.0
   48    33   -38    39   0.98200  1.0 1.0
   48    33   -38    39  -0.11900 -1.0 2.0
   48    33   -38    39   0.24250  1.0 3.0
   48    33    38    41   0.09850  1.0 1.0
   48    33    38    41   0.15250 -1.0 2.0
   48    33    38    41  -0.50650  1.0 3.0
   48    46    50    51   0.17350  1.0 3.0
   48    46    50    52   0.17350  1.0 3.0
   48    46    50    53   0.17350  1.0 3.0
   48    54    55    56  -2.26850  1.0 1.0
   48    54    55    56   3.39050 -1.0 2.0
   48    54    55    59   0.15100 -1.0 2.0
   49    48    54    55   0.08050  1.0 3.0
   54    55    56    57   7.00000 -1.0 2.0
   54    55    56    58   7.00000 -1.0 2.0
   54    55    59    60  -0.11900  1.0 1.0
   54    55    59    60   0.76850 -1.0 2.0
   54    55    59    60   0.14100  1.0 3.0
   54    55    59    61  -0.11900  1.0 1.0
   54    55    59    61   0.76850 -1.0 2.0
   54    55    59    61   0.14100  1.0 3.0
   56    55    59    60  -0.04000 -1.0 2.0
   56    55    59    60  -0.29050  1.0 3.0
   56    55    59    61  -0.04000 -1.0 2.0
   56    55    59    61  -0.29050  1.0 3.0
   59    55    56    57   7.00000 -1.0 2.0
   59    55    56    58   7.00000 -1.0 2.0
   50    46    48    33   1.36600  1.0 1.0
   50    46    48    33  -0.11450 -1.0 2.0
   50    46    48    33   0.24250  1.0 3.0
   50    46    48    49   0.19200  1.0 3.0
   50    46    48    54   1.69300  1.0 1.0
   50    46    48    54  -0.48450 -1.0 2.0
   41    38    39    40  -0.18600  1.0 3.0
   41    38    39    44   0.28850  1.0 1.0
   41    38    39    44   2.61350 -1.0 2.0
   41    38    39    44   0.78400  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
   36    30    35    37  10.50000 -1.0 2.0
   33    39    38    41   1.10000 -1.0 2.0
   38    40    39    44   1.10000 -1.0 2.0
   46    45    44    39   1.10000 -1.0 2.0
   54    59    55    56  15.00000 -1.0 2.0
   57    58    56    55  15.00000 -1.0 2.0
   60    55    59    61  10.50000 -1.0 2.0
   42    43    41    38   1.10000 -1.0 2.0
END
