* LIGAND DATABASE FILE (OPLS2005)
*
001      53    53     95    143     277
    1     0 S   NP   _N1_     1    28.90844    96.02544   -24.48097
    2     1 S   H    _HN1     2     1.02802   116.28875  -102.44584
    3     1 S   H    _H1_     3     1.02945    73.22252     0.16902
    4     1 S   H    _H2_     4     1.02825    34.04009   174.41472
    5     1 S   CT   _CA1     5     1.50132   127.07782   103.41411
    6     5 S   HC   _HA1     6     1.09573   105.14591    93.72890
    7     5 S   CO3  _C1_     7     1.53751   112.48606   -26.49736
    8     7 S   O2Z  _O11     8     1.26381   115.00037   -42.10108
    9     7 S   O2Z  _O12     9     1.26229   114.94148   136.86919
   10     5 S   CT   _CB1    10     1.53044   107.40202  -148.27472
   11    10 S   HC   HB11    11     1.09850   109.32184   -48.93281
   12    10 S   HC   HB12    12     1.09810   110.47877    67.64488
   13    10 S   CT   _CG1    13     1.53057   112.68033  -169.82995
   14    13 S   HC   HG11    14     1.09555   110.83922   -68.56890
   15    13 S   HC   HG12    15     1.09661   109.62793    50.69976
   16    13 S   C    _CD1    16     1.51814   111.68039   171.29135
   17    16 S   O    _OE1    17     1.22781   123.03733    18.14295
   18    16 S   N    _N2_    18     1.38635   112.04109  -161.88198
   19    18 S   H    _HN2    19     1.01585   119.03702     0.67202
   20    18 S   CT1  _CA2    20     1.46241   123.29342   175.58945
   21    20 S   HC   _HA2    21     1.09737   109.26793     9.60425
   22    20 S   C    _C2_    22     1.53756   108.96066  -105.94065
   23    22 S   O    _O2_    23     1.23091   122.18059  -149.68472
   24    20 S   CT   _CB2    32     1.53378   111.63724   131.66448
   25    24 S   HC   HB21    33     1.09427   109.74612    57.45524
   26    24 S   HC   HB22    34     1.09449   109.76413   176.10374
   27    22 S   N    _N3_    24     1.38284   113.96678    37.79471
   28    27 S   H    _HN3    25     1.01519   119.64569    -3.06605
   29    24 S   S    _SG2    35     1.82882   111.40610   -64.54015
   30    27 S   CT   _CA3    26     1.45281   123.37134   177.34989
   31    30 S   HC   HA31    27     1.09544   107.50218   -65.40318
   32    30 S   HC   HA32    28     1.09553   108.03004    51.08788
   33    29 S   CT   _C8_    36     1.85873   100.96529   166.39285
   34    30 S   CO3  _C3_    29     1.53000   113.97198   173.09274
   35    34 S   O2Z  _O31    30     1.26398   116.07089    -0.44102
   36    34 S   O2Z  _O32    31     1.26421   114.42637   179.61845
   37    33 S   CM   _C4_    37     1.49336   106.33146   179.48909
   38    37 S   HC   _H14    38     1.08400   123.12037   -74.55708
   39    33 S   CT   _C9_    50     1.52854   109.92940    61.13234
   40    39 S   HC   _H16    51     1.09285   112.77630   -64.62928
   41    39 S   HC   _H17    52     1.09623   111.68744   173.99622
   42    39 S   HC   _H18    53     1.09786   111.34793    55.61211
   43    37 S   CMA  _C5_    39     1.34075   113.08873   104.96330
   44    43 S   OM   _O8_    40     1.26149   127.12872  -179.47177
   45    43 S   OS   _O33    41     1.41408   109.44291    -1.09128
   46    33 S   CT   _C7_    42     1.55009   111.52590   -72.59783
   47    46 S   HC   _H15    43     1.09677   111.21722    20.43634
   48    46 S   CT   _C10    44     1.53993   118.35073   146.80891
   49    48 S   Cl   CL13    45     1.79482   111.78115   -71.56588
   50    48 S   HC   _H19    46     1.09585   110.70548    48.82404
   51    48 S   CO3  _C6_    47     1.54216   113.17059   170.95658
   52    51 S   O2Z  _O9_    48     1.26585   114.56161  -141.42112
   53    51 S   O2Z  _O10    49     1.26388   116.29907    39.73224
  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  12   5   4   3
  15   2   1   1  11   5   8   3   2   1   5   2   6   7   4   5
   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    46    39    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    43    45    46    47    48    39    40    41    42  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    43    44    45    46    47    48    49    50    51    39    40    41    42  
   35    36  
   36  
    0  
   38    43    44    45    46    47    48    39    40    41    42  
   43    44    45    46    39  
   40    41    42    43    45    46    47    48  
   41    42    46  
   42    46  
   46  
   44    45    46    47    48  
   45    46  
   46    47    48    49    50    51  
   47    48    49    50    51    52    53  
   48    49    50    51  
   49    50    51    52    53  
   50    51    52    53  
   51    52    53  
   52    53  
   53  
    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   0.167500   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   3.5500   0.0760  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   38   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   39   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   44   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   45   2.8500   0.1400  -0.685000   1.5900   1.4000   0.020110767  -0.896042159
   46   3.5000   0.0660   0.170000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5000   0.0660  -0.006000   1.9750   1.7500   0.005000000  -0.741685710
   49   3.4000   0.3000  -0.080000   2.1950   1.9500   0.001000000   0.320982824
   50   2.5000   0.0300   0.100000   1.3810   1.2100   0.008598240   0.268726247
   51   3.7500   0.1050   0.586000   2.1120   1.8750   0.001000000  -0.126889456
   52   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   53   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    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   317.000  1.510
   33    46   268.000  1.529
   33    39   268.000  1.529
   37    38   340.000  1.080
   37    43   465.000  1.376
   43    44   745.000  1.250
   43    45   440.000  1.360
   45    46   320.000  1.410
   46    47   340.000  1.090
   46    48   268.000  1.529
   48    49   245.000  1.781
   48    50   340.000  1.090
   48    51   317.000  1.522
   51    52   656.000  1.250
   51    53   656.000  1.250
   39    40   340.000  1.090
   39    41   340.000  1.090
   39    42   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    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  112.20000
   29    33    46    75.00000  111.63000
   29    33    39    75.00000  111.63000
   33    37    38    35.00000  117.00000
   33    37    43    70.00000  124.00000
   33    46    45    50.00000  109.50000
   33    46    47    37.50000  110.70000
   33    46    48    58.35000  112.70000
   33    39    40    37.50000  110.70000
   33    39    41    37.50000  110.70000
   33    39    42    37.50000  110.70000
   37    43    44    65.00000  137.10300
   37    43    45    80.00000  120.01400
   43    37    38    40.00000  120.50800
   43    45    46    90.00000  111.18400
   45    43    44    65.00000  121.00000
   45    46    47    35.00000  109.50000
   45    46    48    50.00000  109.50000
   46    33    37    70.00000  112.02700
   46    48    49    69.00000  109.80000
   46    48    50    37.50000  110.70000
   46    48    51    70.00000  109.69300
   48    46    47    37.50000  110.70000
   48    51    52    70.00000  117.00000
   48    51    53    70.00000  117.00000
   50    48    49    51.00000  107.60000
   51    48    49    69.00000  109.80000
   51    48    50    35.00000  109.50000
   53    51    52    80.00000  126.00000
   39    33    37    70.00000  112.02700
   39    33    46    58.35000  112.70000
   41    39    40    33.00000  107.80000
   42    39    40    33.00000  107.80000
   42    39    41    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    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  -0.62250  1.0 1.0
   24    29    33    37  -0.38450 -1.0 2.0
   24    29    33    37   0.81900  1.0 3.0
   24    29    33    46   0.01700  1.0 1.0
   24    29    33    46  -0.23550 -1.0 2.0
   24    29    33    46   0.21350  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    37    38   0.00000  1.0 1.0
   29    33    37    43   0.42700  1.0 1.0
   29    33    37    43  -0.70350 -1.0 2.0
   29    33    37    43  -0.43150  1.0 3.0
   29    33    46    45   0.56750  1.0 1.0
   29    33    46    45  -0.07550 -1.0 2.0
   29    33    46    45   0.20000  1.0 3.0
   29    33    46    47   0.15000  1.0 3.0
   29    33    46    48   0.44750  1.0 1.0
   29    33    46    48  -0.17800 -1.0 2.0
   29    33    46    48   0.20200  1.0 3.0
   29    33    39    40   0.15000  1.0 3.0
   29    33    39    41   0.15000  1.0 3.0
   29    33    39    42   0.15000  1.0 3.0
   33    37    43    44   7.00000 -1.0 2.0
   33    37   -43    45   7.00000 -1.0 2.0
   33    46    48    49   0.35600  1.0 1.0
   33    46    48    49  -0.14650 -1.0 2.0
   33    46    48    49   0.33350  1.0 3.0
   33    46    48    50   0.15000  1.0 3.0
   33    46    48    51  -1.63150  1.0 1.0
   33    46    48    51  -0.43550 -1.0 2.0
   33    46    48    51   0.24500  1.0 3.0
   37    33   -46    45   0.61850  1.0 1.0
   37    33   -46    45  -0.22750 -1.0 2.0
   37    33   -46    45   0.15300  1.0 3.0
   37    33    46    47   0.15000  1.0 3.0
   37    33    46    48   0.34400  1.0 1.0
   37    33    46    48   0.09450 -1.0 2.0
   37    33    46    48   0.11100  1.0 3.0
   37    33    39    40   0.15000  1.0 3.0
   37    33    39    41   0.15000  1.0 3.0
   37    33    39    42   0.15000  1.0 3.0
   37    43   -45    46  -2.26850  1.0 1.0
   37    43   -45    46   3.39050 -1.0 2.0
   38    37    43    44   7.00000 -1.0 2.0
   38    37    43    45   7.00000 -1.0 2.0
   43    45   -46    33  -0.46850  1.0 1.0
   43    45   -46    33   0.09300 -1.0 2.0
   43    45   -46    33  -0.12850  1.0 3.0
   43    45    46    47   0.08050  1.0 3.0
   43    45    46    48  -0.46850  1.0 1.0
   43    45    46    48   0.09300 -1.0 2.0
   43    45    46    48  -0.12850  1.0 3.0
   44    43    45    46   2.00000 -1.0 2.0
   45    46    48    49   0.56750  1.0 1.0
   45    46    48    49  -0.07550 -1.0 2.0
   45    46    48    49   0.20000  1.0 3.0
   45    46    48    50   0.23400  1.0 3.0
   45    46    48    51  -3.35100  1.0 1.0
   45    46    48    51  -0.37050 -1.0 2.0
   45    46    48    51   0.22400  1.0 3.0
   46    33    37    38   0.00000  1.0 1.0
   46    33   -37    43   0.09850  1.0 1.0
   46    33   -37    43   0.15250 -1.0 2.0
   46    33   -37    43  -0.50650  1.0 3.0
   46    33    39    40   0.15000  1.0 3.0
   46    33    39    41   0.15000  1.0 3.0
   46    33    39    42   0.15000  1.0 3.0
   46    48    51    52   0.41150 -1.0 2.0
   46    48    51    53   0.41150 -1.0 2.0
   47    46    48    49   0.27000  1.0 3.0
   47    46    48    50   0.15000  1.0 3.0
   47    46    48    51  -0.11250  1.0 3.0
   49    48    51    52   0.00000  1.0 1.0
   49    48    51    53   0.00000  1.0 1.0
   50    48    51    52   0.00000  1.0 1.0
   50    48    51    53   0.00000  1.0 1.0
   39    33    37    38   0.00000  1.0 1.0
   39    33    37    43   0.09850  1.0 1.0
   39    33    37    43   0.15250 -1.0 2.0
   39    33    37    43  -0.50650  1.0 3.0
   39    33    46    45   0.62750  1.0 1.0
   39    33    46    45  -0.30950 -1.0 2.0
   39    33    46    45   0.27300  1.0 3.0
   39    33    46    47   0.15000  1.0 3.0
   39    33    46    48   0.56750  1.0 1.0
   39    33    46    48  -0.07550 -1.0 2.0
   39    33    46    48   0.20000  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
   33    38    37    43   1.10000 -1.0 2.0
   44    45    43    37   1.10000 -1.0 2.0
   52    48    51    53  10.50000 -1.0 2.0
END
