* LIGAND DATABASE FILE (OPLS2005)
*
001      54    53     91    138     271
    1     0 S   NP   _N1_     1    28.02707    95.80792   -22.92390
    2     1 S   H    _HN1     2     1.02833    29.43980   139.62592
    3     1 S   H    _H1_     3     1.02775   102.08012  -115.27623
    4     1 S   H    _H2_     4     1.02956    82.18675    -8.08148
    5     1 S   CT   _CA1     5     1.50158   136.16440   103.27032
    6     5 S   HC   _HA1     6     1.09577   105.17477    77.32886
    7     5 S   CO3  _C1_     7     1.53758   112.34299   -42.77684
    8     7 S   O2Z  _O11     8     1.26368   114.97762   -43.52635
    9     7 S   O2Z  _O12     9     1.26231   114.91832   135.38892
   10     5 S   CT   _CB1    10     1.53079   107.39661  -164.81736
   11    10 S   HC   HB11    11     1.09831   109.22542   -50.47596
   12    10 S   HC   HB12    12     1.09813   110.46863    66.04375
   13    10 S   CT   _CG1    13     1.53042   112.73982  -171.54307
   14    13 S   HC   HG11    14     1.09590   110.53630   -66.43312
   15    13 S   HC   HG12    15     1.09663   109.87231    52.78779
   16    13 S   C    _CD1    16     1.51865   112.21983   173.08154
   17    16 S   O    _OE1    17     1.22771   123.24321     3.42188
   18    16 S   N    _N2_    18     1.38549   111.80375  -176.45243
   19    18 S   H    _HN2    19     1.01556   119.12394     3.21893
   20    18 S   CT1  _CA2    20     1.45875   122.79760   177.14865
   21    20 S   HC   _HA2    21     1.09727   108.86348    26.58036
   22    20 S   C    _C2_    22     1.52950   106.77674   -90.49667
   23    22 S   O    _O2_    23     1.23002   122.99257   -29.42214
   24    20 S   CT   _CB2    32     1.53300   112.27593   149.91257
   25    24 S   HC   HB21    33     1.09434   109.60210    54.74248
   26    24 S   HC   HB22    34     1.09460   109.54086   173.39598
   27    22 S   N    _N3_    24     1.38502   112.65707   153.10399
   28    27 S   H    _HN3    25     1.01654   120.36177    -1.22349
   29    24 S   S    _SG2    35     1.83108   110.56844   -67.31998
   30    27 S   CT   _CA3    26     1.45355   122.40409   178.79163
   31    30 S   HC   HA31    27     1.09566   107.56903   -61.17698
   32    30 S   HC   HA32    28     1.09570   107.81800    55.11312
   33    29 S   CT   _C10    36     1.88534   103.08232   162.40435
   34    30 S   CO3  _C3_    29     1.52880   114.44242   177.07852
   35    34 S   O2Z  _O31    30     1.26322   116.11867    -0.18663
   36    34 S   O2Z  _O32    31     1.26458   114.39042   179.86294
   37    33 S   CT1  _C4_    37     1.56196   110.25640   179.53186
   38    37 S   HC   _H5_    38     1.09889   107.00870  -164.52477
   39    33 S   CM   _C7_    45     1.52363   109.33413   -59.35238
   40    39 S   HC   _H7_    46     1.09096   115.64472   -16.04347
   41    33 S   CO3  _C9_    52     1.56427   101.78201    59.15686
   42    41 S   O2Z  _O3_    53     1.26698   116.48229   -91.11582
   43    41 S   O2Z  _O5_    54     1.26643   116.05865    89.85931
   44    37 S   NT   _N4_    39     1.47868   114.35200   -47.69087
   45    44 S   H    _H3_    40     1.02180   108.30963   -51.49831
   46    44 S   H    _H4_    41     1.01979   109.01171  -166.89363
   47    37 S   CO3  _C5_    42     1.55506   119.17950    75.88831
   48    47 S   O2Z  _O1_    43     1.26814   114.19213   152.59695
   49    47 S   O2Z  _O33    44     1.26194   117.00187   -27.18977
   50    39 S   CM   _C6_    47     1.34253   130.00011   166.86967
   51    50 S   HC   _H6_    48     1.08622   119.23724   178.74852
   52    50 S   CO4  _C8_    49     1.47663   125.49812    -0.60393
   53    52 S   O    _O4_    50     1.22624   121.53361   179.85196
   54    52 S   HC   _H8_    51     1.09876   117.10397     0.12354
  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  11   5   4   3
  16   2   1   1  13   8  11   4   5   1   1   5   2   1   2   1
   1   4   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    34    24    25    26    29  
   27    28    30    24  
   25    26    29    33    37    39    41    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    44    47    39    40    50    41    42    43  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    44    45    46    47    48    49    39    40    50    51    52    41    42    43  
   35    36  
   36  
    0  
   38    44    45    46    47    48    49    39    40    50    41    42    43  
   44    45    46    47    48    49    39    41  
   40    50    51    52    53    54    41    42    43    44    47  
   50    51    52    41  
   42    43    44    47    50  
   43  
    0  
   45    46    47    48    49  
   46    47  
   47  
   48    49  
   49  
    0  
   51    52    53    54  
   52    53    54  
   53    54  
   54  
    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   0.067500   1.9750   1.7500   0.005000000  -0.741685710
   34   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   35   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   3.5000   0.0660   0.063900   1.9750   1.7500   0.005000000  -0.741685710
   38   2.5000   0.0150   0.060000   1.3810   1.2100   0.008598240   0.268726247
   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   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   43   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   44   3.3000   0.1700  -0.943900   1.8650   1.6500   0.051222218  -2.220205820
   45   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   46   0.5000   0.0300   0.360000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   48   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   50   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   51   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   52   3.7500   0.1050   0.450000   2.1120   1.8750   0.001000000  -0.126889456
   53   2.9600   0.2100  -0.450000   1.6780   1.4800   0.001000000  -0.126889456
   54   2.4200   0.0150   0.000000   1.3810   1.2100   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    34   317.000  1.522
   34    35   656.000  1.250
   34    36   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    37   268.000  1.529
   33    39   317.000  1.510
   33    41   317.000  1.522
   37    38   340.000  1.090
   37    44   305.000  1.457
   37    47   317.000  1.522
   44    45   434.000  1.010
   44    46   434.000  1.010
   47    48   656.000  1.250
   47    49   656.000  1.250
   39    40   340.000  1.080
   39    50   549.000  1.340
   50    51   340.000  1.080
   50    52   320.000  1.462
   52    53   570.000  1.229
   52    54   340.000  1.090
   41    42   656.000  1.250
   41    43   656.000  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    34    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    34    35    70.00000  117.00000
   30    34    36    70.00000  117.00000
   32    30    31    33.00000  107.80000
   34    30    31    35.00000  109.50000
   34    30    32    35.00000  109.50000
   36    34    35    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    75.00000  108.68000
   29    33    39    75.00000  112.20000
   29    33    41    70.00000  116.78000
   33    37    38    37.50000  110.70000
   33    37    44    80.00000  111.22000
   33    37    47    63.00000  111.10000
   33    39    40    35.00000  117.00000
   33    39    50    70.00000  124.00000
   33    41    42    70.00000  117.00000
   33    41    43    70.00000  117.00000
   37    44    45    50.00000  111.55300
   37    44    46    50.00000  111.55300
   37    47    48    70.00000  117.00000
   37    47    49    70.00000  117.00000
   44    37    38    50.00000  109.55000
   46    44    45    43.60000  106.40000
   47    37    38    35.00000  109.50000
   47    37    44    75.00000  111.54000
   49    47    48    80.00000  126.00000
   39    33    37    70.00000  112.02700
   39    50    51    35.00000  120.00000
   39    50    52    65.00000  118.96000
   50    39    40    35.00000  120.00000
   50    52    53    80.00000  123.72100
   50    52    54    40.00000  115.75000
   52    50    51    40.00000  117.72500
   54    52    53    35.00000  123.00000
   41    33    37    63.00000  111.10000
   41    33    39    65.00000  111.94000
   43    41    42    80.00000  126.00000
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    34  -0.29800  1.0 1.0
   22    27    30    34   0.13950 -1.0 2.0
   22    27    30    34  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    34    35   0.00000  1.0 1.0
   27    30    34    36   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    34   0.00000  1.0 1.0
   31    30    34    35   0.00000  1.0 1.0
   31    30    34    36   0.00000  1.0 1.0
   32    30    34    35   0.00000  1.0 1.0
   32    30    34    36   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    37   0.01700  1.0 1.0
   24    29    33    37  -0.23550 -1.0 2.0
   24    29    33    37   0.21350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  1.0 3.0
   24    29    33    41   0.01700  1.0 1.0
   24    29    33    41  -0.23550 -1.0 2.0
   24    29    33    41   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    37    38   0.15000  1.0 3.0
   29    33    37    44   0.56750  1.0 1.0
   29    33    37    44  -0.07550 -1.0 2.0
   29    33    37    44   0.20000  1.0 3.0
   29    33    37    47  -2.17200  1.0 1.0
   29    33    37    47  -0.85700 -1.0 2.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    50   0.42700  1.0 1.0
   29    33    39    50  -0.70350 -1.0 2.0
   29    33    39    50  -0.43150  1.0 3.0
   29    33    41    42   0.30150 -1.0 2.0
   29    33    41    43   0.30150 -1.0 2.0
   33    37    44    45  -0.05950  1.0 1.0
   33    37    44    45   0.08850 -1.0 2.0
   33    37    44    45   0.11750  1.0 3.0
   33    37    44    46  -0.05950  1.0 1.0
   33    37    44    46   0.08850 -1.0 2.0
   33    37    44    46   0.11750  1.0 3.0
   33    37    47    48   0.00000  1.0 1.0
   33    37    47    49   0.00000  1.0 1.0
   33    39    50    51   7.00000 -1.0 2.0
   33    39    50    52   7.00000 -1.0 2.0
   37    33    39    40   0.00000  1.0 1.0
   37    33    39    50   0.09850  1.0 1.0
   37    33    39    50   0.15250 -1.0 2.0
   37    33    39    50  -0.50650  1.0 3.0
   37    33    41    42   0.27300 -1.0 2.0
   37    33    41    43   0.27300 -1.0 2.0
   38    37    44    45   0.20000  1.0 3.0
   38    37    44    46   0.20000  1.0 3.0
   38    37    47    48   0.00000  1.0 1.0
   38    37    47    49   0.00000  1.0 1.0
   44    37    47    48   0.30150 -1.0 2.0
   44    37    47    49   0.30150 -1.0 2.0
   47    37    44    45   0.21900  1.0 1.0
   47    37    44    45  -0.24900 -1.0 2.0
   47    37    44    45   0.15200  1.0 3.0
   47    37    44    46   0.21900  1.0 1.0
   47    37    44    46  -0.24900 -1.0 2.0
   47    37    44    46   0.15200  1.0 3.0
   39    33    37    38   0.15000  1.0 3.0
   39    33    37    44   0.59950  1.0 1.0
   39    33    37    44  -0.21400 -1.0 2.0
   39    33    37    44   0.56200  1.0 3.0
   39    33    37    47  -0.98800  1.0 1.0
   39    33    37    47   0.48800 -1.0 2.0
   39    33    37    47   0.76800  1.0 3.0
   39    33    41    42   0.30150 -1.0 2.0
   39    33    41    43   0.30150 -1.0 2.0
   39    50    52    53   1.00000 -1.0 2.0
   39    50    52    54  -0.79650  1.0 1.0
   39    50    52    54   1.60950 -1.0 2.0
   39    50    52    54  -0.26250  1.0 3.0
   40    39    50    51   7.00000 -1.0 2.0
   40    39    50    52   7.00000 -1.0 2.0
   51    50    52    53   0.00000  1.0 1.0
   51    50    52    54   0.93100 -1.0 2.0
   41    33    37    38   0.15000  1.0 3.0
   41    33    37    44  -3.56550  1.0 1.0
   41    33    37    44  -0.67500 -1.0 2.0
   41    33    37    44   1.11300  1.0 3.0
   41    33    37    47  -2.38700  1.0 1.0
   41    33    37    47   1.51550 -1.0 2.0
   41    33    39    40   0.00000  1.0 1.0
   41    33    39    50  -0.51250  1.0 1.0
   41    33    39    50  -0.88800 -1.0 2.0
   41    33    39    50   0.08850  1.0 3.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   36    30    34    35  10.50000 -1.0 2.0
   48    37    47    49  10.50000 -1.0 2.0
   33    40    39    50  15.00000 -1.0 2.0
   52    51    50    39  15.00000 -1.0 2.0
   50    54    52    53  10.50000 -1.0 2.0
   42    33    41    43  10.50000 -1.0 2.0
END
