* LIGAND DATABASE FILE (OPLS2005)
*
001      49    49     86    130     252
    1     0 S   NP   _N1_     1    28.20426    95.57129   -21.71337
    2     1 S   H    _HN1     2     1.02958    82.93507    -6.98752
    3     1 S   H    _H1_     3     1.02836    33.91665   128.55443
    4     1 S   H    _H2_     4     1.02777    94.08695  -114.98267
    5     1 S   CT   _CA1     5     1.50123   143.35746   107.96448
    6     5 S   HC   _HA1     6     1.09574   105.22337    71.29014
    7     5 S   CO3  _C1_     7     1.53793   112.36256   -48.91595
    8     7 S   O2Z  _O11     8     1.26364   115.00052   -44.06662
    9     7 S   O2Z  _O12     9     1.26236   114.93538   135.06347
   10     5 S   CT   _CB1    10     1.53100   107.42706  -170.79237
   11    10 S   HC   HB11    11     1.09826   109.35592   -50.51440
   12    10 S   HC   HB12    12     1.09816   110.41973    66.05086
   13    10 S   CT   _CG1    13     1.53011   112.65161  -171.58562
   14    13 S   HC   HG11    14     1.09596   110.47844   -63.93261
   15    13 S   HC   HG12    15     1.09655   109.93052    55.25933
   16    13 S   C    _CD1    16     1.51838   112.33935   175.64414
   17    16 S   O    _OE1    17     1.22745   123.29700    -0.39565
   18    16 S   N    _N2_    18     1.38544   111.67404   179.56704
   19    18 S   H    _HN2    19     1.01564   119.02010     4.75374
   20    18 S   CT1  _CA2    20     1.45873   122.97328   178.14280
   21    20 S   HC   _HA2    21     1.09721   108.97486    22.89361
   22    20 S   C    _C2_    22     1.52890   106.85958   -94.21925
   23    22 S   O    _O2_    23     1.22994   122.98507   -28.12048
   24    20 S   CT   _CB2    32     1.53154   112.11393   146.07009
   25    24 S   HC   HB21    33     1.09662   110.13798    54.78849
   26    24 S   HC   HB22    34     1.09526   110.08494   173.42276
   27    22 S   N    _N3_    24     1.38488   112.64711   154.55155
   28    27 S   H    _HN3    25     1.01661   120.38747    -1.80580
   29    24 S   S    _SG2    35     1.82240   111.04713   -66.31932
   30    27 S   CT   _CA3    26     1.45352   122.39349   178.63542
   31    30 S   HC   HA31    27     1.09570   107.64094   -58.85796
   32    30 S   HC   HA32    28     1.09566   107.74980    57.43414
   33    29 S   CM   _C5_    36     1.75905   100.73744   166.48086
   34    30 S   CO3  _C3_    29     1.52871   114.41722   179.26246
   35    34 S   O2Z  _O31    30     1.26320   116.10262    -2.59042
   36    34 S   O2Z  _O32    31     1.26449   114.39049   177.46163
   37    33 S   CM   _C4_    37     1.34827   117.62028  -122.89332
   38    37 S   HC   _H5_    38     1.08810   120.14654    -1.87889
   39    37 S   CT   _C9_    39     1.50321   124.03113   177.70544
   40    39 S   HC   _H4_    40     1.09652   108.82468   119.42858
   41    39 S   CM   _C8_    41     1.50034   113.69301    -2.66961
   42    41 S   Cl   Cl1_    42     1.73107   116.45897  -178.59236
   43    39 S   OH   _O33    48     1.42831   108.04311  -123.70461
   44    43 S   HO   _H7_    49     0.97218   107.60241   -60.92334
   45    41 S   CM   _C7_    43     1.34199   123.41690     3.24003
   46    45 S   HC   _H6_    44     1.08952   119.48981  -179.67135
   47    33 S   CT   _C6_    45     1.53409   120.09912    55.63233
   48    47 S   OM   _O34    46     1.32302   108.13043    69.07849
   49    47 S   HC   _H3_    47     1.09942   106.20461   -61.66262
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   7   3   2   7   4   8   5   4   3
  11   2   1   1  11   5   8   5   8   4   2   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    47    27  
   26    29    33  
   29    33  
   28    30    31    32    34    35    36  
   30    31    32    34  
   33    37    38    39    45    47    48    49  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    45    46    47    48    49    43  
   35    36  
   36  
    0  
   38    39    40    41    42    45    47    48    49    43    44  
   39    40    41    47    43  
   40    41    42    45    46    47    43    44  
   41    42    45    43    44  
   42    45    46    47    48    49    43    44  
   45    46    47    43  
   44    45  
    0  
   46    47    48    49  
   47    48    49  
   48    49  
   49  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.175000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5500   0.0760   0.007500   2.0020   1.7750   0.023028004  -0.852763146
   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  -0.115000   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   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   40   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.5500   0.0760   0.120000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.4000   0.3000  -0.120000   2.1950   1.9500   0.001000000   0.320982824
   43   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   44   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   45   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   46   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   47   4.2000   0.3000  -0.080000   1.9750   1.7500   0.005000000  -0.741685710
   48   3.1500   0.2500  -0.980000   1.7825   1.5750   0.001000000  -0.126889456
   49   2.5000   0.0500   0.060000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    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   240.000  1.763
   33    37   549.000  1.340
   33    47   317.000  1.510
   37    38   340.000  1.080
   37    39   317.000  1.510
   39    40   340.000  1.090
   39    41   317.000  1.510
   39    43   320.000  1.410
   41    42   300.000  1.725
   41    45   549.000  1.340
   45    46   340.000  1.080
   45    47   317.000  1.510
   47    48   570.000  1.307
   47    49   340.000  1.090
   43    44   553.000  0.945
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    85.00000  102.41200
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    37    65.00000  122.11800
   29    33    47    65.00000  117.37300
   33    37    38    35.00000  120.00000
   33    37    39    70.00000  124.00000
   33    47    45    70.00000  110.12100
   33    47    48    85.00000  110.90400
   33    47    49    35.00000  109.50000
   37    39    40    35.00000  109.50000
   37    39    41    70.00000  110.12100
   37    39    43    90.00000  110.39200
   39    37    38    35.00000  117.00000
   39    41    42    75.00000  111.02000
   39    41    45    70.00000  124.00000
   39    43    44    55.00000  108.50000
   41    39    40    35.00000  109.50000
   41    45    46    35.00000  120.00000
   41    45    47    70.00000  124.00000
   45    41    42    75.00000  121.50000
   45    47    48    85.00000  110.90400
   45    47    49    35.00000  109.50000
   47    33    37    70.00000  124.00000
   47    45    46    35.00000  117.00000
   49    47    48    45.00000  125.66300
   43    39    40    35.00000  109.50000
   43    39    41    90.00000  110.39200
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   0.00000  1.0 1.0
   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   1.00000 -1.0 2.0
   24    29    33    47   1.00000 -1.0 2.0
   25    24    29    33   0.24000  1.0 3.0
   26    24    29    33   0.24000  1.0 3.0
   29    33    37    38   7.00000 -1.0 2.0
   29    33    37    39   7.00000 -1.0 2.0
   29    33    47    45   0.09700  1.0 1.0
   29    33    47    45   0.15600 -1.0 2.0
   29    33    47    45  -0.50800  1.0 3.0
   29    33    47    48   0.09700  1.0 1.0
   29    33    47    48   0.15600 -1.0 2.0
   29    33    47    48  -0.50800  1.0 3.0
   29    33    47    49   0.00000  1.0 1.0
   33    37    39    40   0.00000  1.0 1.0
   33    37    39    41  -0.28300  1.0 1.0
   33    37    39    41   0.26700 -1.0 2.0
   33    37    39    41  -0.63300  1.0 3.0
   33    37    39    43   0.67800  1.0 1.0
   33    37    39    43   0.47050 -1.0 2.0
   33    37    39    43  -0.62500  1.0 3.0
   37    33    47    45  -0.28300  1.0 1.0
   37    33    47    45   0.26700 -1.0 2.0
   37    33    47    45  -0.63300  1.0 3.0
   37    33    47    48   0.39000  1.0 1.0
   37    33    47    48  -0.05800 -1.0 2.0
   37    33    47    48  -0.55150  1.0 3.0
   37    33    47    49   0.00000  1.0 1.0
   37    39    41    42   0.09700  1.0 1.0
   37    39    41    42   0.15600 -1.0 2.0
   37    39    41    42  -0.50800  1.0 3.0
   37    39   -41    45  -0.28300  1.0 1.0
   37    39   -41    45   0.26700 -1.0 2.0
   37    39   -41    45  -0.63300  1.0 3.0
   37    39    43    44  -0.07800  1.0 1.0
   37    39    43    44  -0.21500 -1.0 2.0
   37    39    43    44  -0.03150  1.0 3.0
   38    37    39    40   0.33100  1.0 3.0
   38    37    39    41   0.00000  1.0 1.0
   38    37    39    43   0.00000  1.0 1.0
   39    41    45    46   7.00000 -1.0 2.0
   39    41    45    47   7.00000 -1.0 2.0
   40    39    41    42   0.00000  1.0 1.0
   40    39    41    45   0.00000  1.0 1.0
   40    39    43    44   0.19450  1.0 3.0
   41    39    43    44  -0.07800  1.0 1.0
   41    39    43    44  -0.21500 -1.0 2.0
   41    39    43    44  -0.03150  1.0 3.0
   41    45   -47    33  -0.28300  1.0 1.0
   41    45   -47    33   0.26700 -1.0 2.0
   41    45   -47    33  -0.63300  1.0 3.0
   41    45    47    48   0.39000  1.0 1.0
   41    45    47    48  -0.05800 -1.0 2.0
   41    45    47    48  -0.55150  1.0 3.0
   41    45    47    49   0.00000  1.0 1.0
   42    41    45    46   7.00000 -1.0 2.0
   42    41    45    47   7.00000 -1.0 2.0
   46    45    47    33   0.00000  1.0 1.0
   46    45    47    48   0.00000  1.0 1.0
   46    45    47    49   0.33100  1.0 3.0
   47    33    37    38   7.00000 -1.0 2.0
   47    33   -37    39   7.00000 -1.0 2.0
   43    39    41    42   0.09700  1.0 1.0
   43    39    41    42   0.15600 -1.0 2.0
   43    39    41    42  -0.50800  1.0 3.0
   43    39    41    45   0.67800  1.0 1.0
   43    39    41    45   0.47050 -1.0 2.0
   43    39    41    45  -0.62500  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
   35    30    34    36  10.50000 -1.0 2.0
   29    47    33    37   1.10000 -1.0 2.0
   39    38    37    33   1.10000 -1.0 2.0
   39    42    41    45   1.10000 -1.0 2.0
   47    46    45    41   1.10000 -1.0 2.0
END
