* LIGAND DATABASE FILE (OPLS2005)
*
001      53    53     95    143     277
    1     0 S   NP   _N1_     1    28.02675    96.54566   -22.49193
    2     1 S   H    _HN1     2     1.02958    77.65578    -9.98070
    3     1 S   H    _H1_     3     1.02835    33.84305   139.89070
    4     1 S   H    _H2_     4     1.02775   102.38464  -116.35994
    5     1 S   CT   _CA1     5     1.50153   138.62647    96.90202
    6     5 S   HC   _HA1     6     1.09575   105.17828    83.11689
    7     5 S   CO3  _C1_     7     1.53768   112.38067   -37.00209
    8     7 S   O2Z  _O11     8     1.26368   114.97849   -42.53375
    9     7 S   O2Z  _O12     9     1.26232   114.93062   136.43572
   10     5 S   CT   _CB1    10     1.53085   107.40327  -158.99180
   11    10 S   HC   HB11    11     1.09829   109.25961   -50.26759
   12    10 S   HC   HB12    12     1.09815   110.44751    66.26785
   13    10 S   CT   _CG1    13     1.53033   112.72736  -171.33154
   14    13 S   HC   HG11    14     1.09589   110.52623   -66.04538
   15    13 S   HC   HG12    15     1.09662   109.87780    53.17204
   16    13 S   C    _CD1    16     1.51856   112.26060   173.49754
   17    16 S   O    _OE1    17     1.22763   123.27037     2.94464
   18    16 S   N    _N2_    18     1.38563   111.78169  -176.94354
   19    18 S   H    _HN2    19     1.01562   119.11539     3.43382
   20    18 S   CT1  _CA2    20     1.45844   122.78067   177.49376
   21    20 S   HC   _HA2    21     1.09729   108.83924    27.02531
   22    20 S   C    _C2_    22     1.52949   106.94318   -90.05802
   23    22 S   O    _O2_    23     1.22989   123.04231   -27.81897
   24    20 S   CT   _CB2    32     1.53173   112.32925   150.30932
   25    24 S   HC   HB21    33     1.09604   110.15479    54.11845
   26    24 S   HC   HB22    34     1.09464   110.04453   173.00255
   27    22 S   N    _N3_    24     1.38501   112.60475   154.88483
   28    27 S   H    _HN3    25     1.01666   120.34419    -2.11109
   29    24 S   S    _SG2    35     1.82584   111.16259   -66.59227
   30    27 S   CT   _CA3    26     1.45354   122.43763   178.62186
   31    30 S   HC   HA31    27     1.09572   107.73077   -56.71987
   32    30 S   HC   HA32    28     1.09563   107.67330    59.59076
   33    29 S   CT   _C7_    36     1.82701    99.69316   175.37111
   34    33 S   HC   _H3_    37     1.09430   106.00486   -41.71677
   35    30 S   CO3  _C3_    29     1.52877   114.36940  -178.67795
   36    35 S   O2Z  _O31    30     1.26325   116.07393    -3.12286
   37    35 S   O2Z  _O32    31     1.26436   114.40750   176.88781
   38    33 S   CM   _C4_    38     1.48297   110.97016    76.48422
   39    38 S   HC   _H16    39     1.08310   123.16353   -56.04156
   40    38 S   CMA  _C5_    40     1.34182   113.43237   126.35712
   41    40 S   OM   _O7_    41     1.26257   126.77770   178.41600
   42    40 S   OS   _O13    42     1.41576   110.09915    -1.56536
   43    33 S   CT   _C8_    43     1.54968   118.51548  -167.61877
   44    43 S   CT   _C9_    44     1.54711   118.11045     2.27288
   45    44 S   HC   _H18    45     1.09932   108.12541   178.11560
   46    44 S   HC   _H19    46     1.09832   108.96878    63.52226
   47    43 S   SY   _S15    50     1.86719   107.71276   123.52245
   48    47 S   OY   _O9_    51     1.46280   104.44163   176.00203
   49    47 S   OY   _O33    52     1.46333   103.87847   -63.89193
   50    47 S   OY   _O34    53     1.46291   104.49664    56.02591
   51    44 S   CO3  _C6_    47     1.53422   122.60427   -62.80259
   52    51 S   O2Z  _O8_    48     1.26676   114.02452   160.67534
   53    51 S   O2Z  _O10    49     1.25934   117.09505   -20.33165
  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   7   4   5   2   9  10   9   5   4   4   2
   1   1   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    43    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    42    43    44    47  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    44    45    46    51    47    48    49    50  
   38    39    40    42    43    44    47  
   36    37  
   37  
    0  
   39    40    41    42    43    44    47  
   40    41    42    43  
   41    42    43    44    47  
   42    43  
   43    44    45    46    51    47    48    49    50  
   44    45    46    51    52    53    47    48    49    50  
   45    46    51    52    53    47    48    49    50  
   46    51    52    53    47  
   51    52    53    47  
   48    49    50    51  
   49    50  
   50  
    0  
   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   0.218900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   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  -0.716200   2.0020   1.7750   0.023028004  -0.852763146
   39   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5500   0.0760   0.460100   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.373900   1.7825   1.5750   0.001000000  -0.126889456
   42   2.8500   0.1400  -0.707500   1.5900   1.4000   0.020110767  -0.896042159
   43   3.5000   0.0660  -0.154700   1.9750   1.7500   0.005000000  -0.741685710
   44   3.5000   0.0660  -0.108600   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   47   3.5500   0.2500   1.453700   2.0025   1.7750   0.025682759  -1.666211680
   48   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   49   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   50   2.9600   0.1700  -0.766433   1.6780   1.4800   0.001000000  -0.126889456
   51   3.7500   0.1050   0.700000   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    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    43   268.000  1.529
   38    39   340.000  1.080
   38    40   465.000  1.376
   40    41   745.000  1.250
   40    42   440.000  1.360
   42    43   320.000  1.410
   43    44   268.000  1.529
   43    47   205.000  1.840
   44    45   340.000  1.090
   44    46   340.000  1.090
   44    51   317.000  1.522
   51    52   656.000  1.250
   51    53   656.000  1.250
   47    48   735.000  1.471
   47    49   735.000  1.471
   47    50   735.000  1.471
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    43    75.00000  111.63000
   33    38    39    35.00000  117.00000
   33    38    40    70.00000  124.00000
   33    43    42    50.00000  109.50000
   33    43    44    58.35000  112.70000
   33    43    47    75.00000  110.51500
   38    33    34    35.00000  109.50000
   38    40    41    65.00000  137.10300
   38    40    42    80.00000  120.01400
   40    38    39    40.00000  120.50800
   40    42    43    90.00000  111.18400
   42    40    41    65.00000  121.00000
   42    43    44    50.00000  109.50000
   42    43    47    90.00000  115.00000
   43    33    34    37.50000  110.70000
   43    33    38    70.00000  112.02700
   43    44    45    37.50000  110.70000
   43    44    46    37.50000  110.70000
   43    44    51    70.00000  109.69300
   43    47    48   100.00000  108.55000
   43    47    49   100.00000  108.55000
   43    47    50   100.00000  108.55000
   44    51    52    70.00000  117.00000
   44    51    53    70.00000  117.00000
   46    44    45    33.00000  107.80000
   51    44    45    35.00000  109.50000
   51    44    46    35.00000  109.50000
   53    51    52    80.00000  126.00000
   47    43    44    75.00000  110.51500
   49    47    48   115.00000  120.17200
   50    47    48   115.00000  120.17200
   50    47    49   115.00000  120.17200
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    43   0.01700  1.0 1.0
   24    29    33    43  -0.23550 -1.0 2.0
   24    29    33    43   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   0.00000  1.0 1.0
   29    33    38    40   0.42700  1.0 1.0
   29    33    38    40  -0.70350 -1.0 2.0
   29    33    38    40  -0.43150  1.0 3.0
   29    33    43    42   0.56750  1.0 1.0
   29    33    43    42  -0.07550 -1.0 2.0
   29    33    43    42   0.20000  1.0 3.0
   29    33    43    44   0.44750  1.0 1.0
   29    33    43    44  -0.17800 -1.0 2.0
   29    33    43    44   0.20200  1.0 3.0
   29    33    43    47   0.56750  1.0 1.0
   29    33    43    47  -0.07550 -1.0 2.0
   29    33    43    47   0.20000  1.0 3.0
   33    38    40    41   7.00000 -1.0 2.0
   33    38   -40    42   7.00000 -1.0 2.0
   33    43    44    45   0.15000  1.0 3.0
   33    43    44    46   0.15000  1.0 3.0
   33    43    44    51  -1.63150  1.0 1.0
   33    43    44    51  -0.43550 -1.0 2.0
   33    43    44    51   0.24500  1.0 3.0
   33    43    47    48  -0.82900  1.0 1.0
   33    43    47    48   0.81700 -1.0 2.0
   33    43    47    48  -0.10400  1.0 3.0
   33    43    47    49  -0.82900  1.0 1.0
   33    43    47    49   0.81700 -1.0 2.0
   33    43    47    49  -0.10400  1.0 3.0
   33    43    47    50  -0.82900  1.0 1.0
   33    43    47    50   0.81700 -1.0 2.0
   33    43    47    50  -0.10400  1.0 3.0
   34    33    38    39   0.33100  1.0 3.0
   34    33    38    40   0.00000  1.0 1.0
   34    33    43    42   0.23400  1.0 3.0
   34    33    43    44   0.15000  1.0 3.0
   34    33    43    47   0.15000  1.0 3.0
   38    33   -43    42   0.61850  1.0 1.0
   38    33   -43    42  -0.22750 -1.0 2.0
   38    33   -43    42   0.15300  1.0 3.0
   38    33    43    44   0.34400  1.0 1.0
   38    33    43    44   0.09450 -1.0 2.0
   38    33    43    44   0.11100  1.0 3.0
   38    33    43    47   0.56750  1.0 1.0
   38    33    43    47  -0.07550 -1.0 2.0
   38    33    43    47   0.20000  1.0 3.0
   38    40   -42    43  -2.26850  1.0 1.0
   38    40   -42    43   3.39050 -1.0 2.0
   39    38    40    41   7.00000 -1.0 2.0
   39    38    40    42   7.00000 -1.0 2.0
   40    42   -43    33  -0.46850  1.0 1.0
   40    42   -43    33   0.09300 -1.0 2.0
   40    42   -43    33  -0.12850  1.0 3.0
   40    42    43    44  -0.46850  1.0 1.0
   40    42    43    44   0.09300 -1.0 2.0
   40    42    43    44  -0.12850  1.0 3.0
   40    42    43    47  -0.48150  1.0 1.0
   40    42    43    47   0.09250 -1.0 2.0
   40    42    43    47  -0.12850  1.0 3.0
   41    40    42    43   2.00000 -1.0 2.0
   42    43    44    45   0.23400  1.0 3.0
   42    43    44    46   0.23400  1.0 3.0
   42    43    44    51  -3.35100  1.0 1.0
   42    43    44    51  -0.37050 -1.0 2.0
   42    43    44    51   0.22400  1.0 3.0
   42    43    47    48  -0.67400  1.0 1.0
   42    43    47    48   0.68950 -1.0 2.0
   42    43    47    48  -0.11550  1.0 3.0
   42    43    47    49  -0.67400  1.0 1.0
   42    43    47    49   0.68950 -1.0 2.0
   42    43    47    49  -0.11550  1.0 3.0
   42    43    47    50  -0.67400  1.0 1.0
   42    43    47    50   0.68950 -1.0 2.0
   42    43    47    50  -0.11550  1.0 3.0
   43    33    38    39   0.00000  1.0 1.0
   43    33   -38    40   0.09850  1.0 1.0
   43    33   -38    40   0.15250 -1.0 2.0
   43    33   -38    40  -0.50650  1.0 3.0
   43    44    51    52   0.41150 -1.0 2.0
   43    44    51    53   0.41150 -1.0 2.0
   44    43    47    48  -0.82900  1.0 1.0
   44    43    47    48   0.81700 -1.0 2.0
   44    43    47    48  -0.10400  1.0 3.0
   44    43    47    49  -0.82900  1.0 1.0
   44    43    47    49   0.81700 -1.0 2.0
   44    43    47    49  -0.10400  1.0 3.0
   44    43    47    50  -0.82900  1.0 1.0
   44    43    47    50   0.81700 -1.0 2.0
   44    43    47    50  -0.10400  1.0 3.0
   45    44    51    52   0.00000  1.0 1.0
   45    44    51    53   0.00000  1.0 1.0
   46    44    51    52   0.00000  1.0 1.0
   46    44    51    53   0.00000  1.0 1.0
   47    43    44    45   0.15000  1.0 3.0
   47    43    44    46   0.15000  1.0 3.0
   47    43    44    51   0.56750  1.0 1.0
   47    43    44    51  -0.07550 -1.0 2.0
   47    43    44    51   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
   37    30    35    36  10.50000 -1.0 2.0
   33    39    38    40   1.10000 -1.0 2.0
   41    42    40    38   1.10000 -1.0 2.0
   52    44    51    53  10.50000 -1.0 2.0
END
