* LIGAND DATABASE FILE (OPLS2005)
*
001      50    50     87    134     258
    1     0 S   NP   _N1_     1    28.79334    95.38912   -23.45448
    2     1 S   H    _HN1     2     1.02950    77.51203    12.78659
    3     1 S   H    _H1_     3     1.02829    32.18186   169.20595
    4     1 S   H    _H2_     4     1.02786   106.29272   -92.96403
    5     1 S   CT   _CA1     5     1.50108   134.85486   119.25937
    6     5 S   HC   _HA1     6     1.09573   105.19972    85.07669
    7     5 S   CO3  _C1_     7     1.53788   112.46744   -35.16856
    8     7 S   O2Z  _O11     8     1.26371   115.00739   -42.54347
    9     7 S   O2Z  _O12     9     1.26240   114.94748   136.61253
   10     5 S   CT   _CB1    10     1.53082   107.42899  -156.93209
   11    10 S   HC   HB11    11     1.09832   109.38000   -49.72976
   12    10 S   HC   HB12    12     1.09813   110.44516    66.88197
   13    10 S   CT   _CG1    13     1.52990   112.59860  -170.70635
   14    13 S   HC   HG11    14     1.09582   110.63029   -65.51628
   15    13 S   HC   HG12    15     1.09671   109.78544    53.71088
   16    13 S   C    _CD1    16     1.51799   112.23951   174.17375
   17    16 S   O    _OE1    17     1.22729   123.30033     6.84390
   18    16 S   N    _N2_    18     1.38658   111.66602  -173.28075
   19    18 S   H    _HN2    19     1.01585   118.92288     1.77894
   20    18 S   CT1  _CA2    20     1.46194   123.38979   177.39241
   21    20 S   HC   _HA2    21     1.09735   109.37022     2.41929
   22    20 S   C    _C2_    22     1.53555   108.61293  -113.03939
   23    22 S   O    _O2_    23     1.23058   122.27862  -148.11602
   24    20 S   CT   _CB2    32     1.53272   111.58606   124.45920
   25    24 S   HC   HB21    33     1.09633   110.12433    56.32186
   26    24 S   HC   HB22    34     1.09582   110.24463   174.95445
   27    22 S   N    _N3_    24     1.38322   113.70619    39.33909
   28    27 S   H    _HN3    25     1.01584   119.58777    -3.33378
   29    24 S   S    _SG2    35     1.82623   111.60101   -65.03695
   30    27 S   CT   _CA3    26     1.45285   123.22474   177.13420
   31    30 S   HC   HA31    27     1.09548   107.51213   -64.60963
   32    30 S   HC   HA32    28     1.09556   107.98841    51.83569
   33    29 S   CM   _C6_    36     1.73615    99.64024  -178.78035
   34    30 S   CO3  _C3_    29     1.52962   114.06388   173.82807
   35    34 S   O2Z  _O31    30     1.26378   116.05965    -0.70721
   36    34 S   O2Z  _O32    31     1.26426   114.41544   179.35502
   37    33 S   CM   _C5_    37     1.45148   119.01146   -77.23465
   38    37 S   HC   _H6_    38     1.08587   118.99203   -10.19462
   39    37 S   CM   _C4_    39     1.34210   121.32032   168.83151
   40    39 S   HC   _H5_    40     1.08557   119.60375  -177.74936
   41    39 S   CT   _C9_    41     1.50545   121.29402     0.05234
   42    41 S   HC   _H4_    42     1.09767   107.23570   -95.55050
   43    41 S   CT   _C8_    43     1.54756   113.02457    24.34872
   44    43 S   HC   _H3_    44     1.09602   108.54249  -156.37888
   45    41 S   OH   _O33    49     1.42438   110.34964   148.12123
   46    45 S   HO   _H8_    50     0.97206   107.86200    56.08015
   47    33 S   CM   _C7_    45     1.34518   120.68279   106.24476
   48    47 S   HC   _H7_    46     1.08696   121.08370    -0.52265
   49    43 S   OH   _O34    47     1.42963   110.41361    86.58663
   50    49 S   HO   _H9_    48     0.97221   107.73011   177.53804
  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   7   5   4   3
  10   2   1   1   9   4   9   4   9   6   7   5   3   1   3   1
   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    43    47    48  
   31    32    34    35    36  
   32    34    35    36  
   34    35    36  
   37    38    39    40    41    43    44    47    48    49  
   35    36  
   36  
    0  
   38    39    40    41    42    43    47    48    45  
   39    40    41    47  
   40    41    42    43    44    47    49    45    46  
   41    42    43    45  
   42    43    44    47    48    49    50    45    46  
   43    44    47    49    45    46  
   44    47    48    49    50    45    46  
   47    48    49    50    45  
   46    47    49  
    0  
   48    49    50  
   49  
   50  
    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   3.5500   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   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   42   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   43   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   46   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   47   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   48   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   49   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   50   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
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   380.000  1.444
   33    47   549.000  1.340
   37    38   340.000  1.080
   37    39   549.000  1.340
   39    40   340.000  1.080
   39    41   317.000  1.510
   41    42   340.000  1.090
   41    43   268.000  1.529
   41    45   320.000  1.410
   43    44   340.000  1.090
   43    47   317.000  1.510
   43    49   320.000  1.410
   47    48   340.000  1.080
   49    50   553.000  0.945
   45    46   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  122.11800
   33    37    38    35.00000  120.00000
   33    37    39    70.00000  123.01800
   33    47    43    70.00000  124.00000
   33    47    48    35.00000  120.00000
   37    39    40    35.00000  120.00000
   37    39    41    70.00000  124.00000
   39    37    38    35.00000  120.00000
   39    41    42    35.00000  109.50000
   39    41    43    70.00000  112.02700
   39    41    45    90.00000  110.39200
   41    39    40    35.00000  117.00000
   41    43    44    37.50000  110.70000
   41    43    47    70.00000  112.02700
   41    43    49    50.00000  109.50000
   41    45    46    55.00000  108.50000
   43    41    42    37.50000  110.70000
   43    47    48    35.00000  117.00000
   43    49    50    55.00000  108.50000
   47    33    37    70.00000  123.01800
   47    43    44    35.00000  109.50000
   49    43    44    35.00000  109.50000
   49    43    47    90.00000  110.39200
   45    41    42    35.00000  109.50000
   45    41    43    50.00000  109.50000
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   0.00000  1.0 1.0
   29    33    37    39  -0.18600  1.0 3.0
   29    33    47    43   7.00000 -1.0 2.0
   29    33    47    48   7.00000 -1.0 2.0
   33    37    39    40   7.00000 -1.0 2.0
   33    37    39    41   7.00000 -1.0 2.0
   37    33    47    43   7.00000 -1.0 2.0
   37    33    47    48   7.00000 -1.0 2.0
   37    39    41    42   0.00000  1.0 1.0
   37    39   -41    43   0.09850  1.0 1.0
   37    39   -41    43   0.15250 -1.0 2.0
   37    39   -41    43  -0.50650  1.0 3.0
   37    39    41    45   0.67800  1.0 1.0
   37    39    41    45   0.47050 -1.0 2.0
   37    39    41    45  -0.62500  1.0 3.0
   38    37    39    40   7.00000 -1.0 2.0
   38    37    39    41   7.00000 -1.0 2.0
   39    41    43    44   0.15000  1.0 3.0
   39    41    43    47   0.31000  1.0 1.0
   39    41    43    47   0.14700 -1.0 2.0
   39    41    43    47   0.07550  1.0 3.0
   39    41    43    49   1.05650  1.0 1.0
   39    41    43    49   0.15600 -1.0 2.0
   39    41    43    49   0.53150  1.0 3.0
   39    41    45    46  -0.07800  1.0 1.0
   39    41    45    46  -0.21500 -1.0 2.0
   39    41    45    46  -0.03150  1.0 3.0
   40    39    41    42   0.33100  1.0 3.0
   40    39    41    43   0.00000  1.0 1.0
   40    39    41    45   0.00000  1.0 1.0
   41    43   -47    33   0.09850  1.0 1.0
   41    43   -47    33   0.15250 -1.0 2.0
   41    43   -47    33  -0.50650  1.0 3.0
   41    43    47    48   0.00000  1.0 1.0
   41    43    49    50  -0.11600  1.0 1.0
   41    43    49    50  -0.09450 -1.0 2.0
   41    43    49    50   0.21250  1.0 3.0
   42    41    43    44   0.15000  1.0 3.0
   42    41    43    47   0.15000  1.0 3.0
   42    41    43    49   0.23400  1.0 3.0
   42    41    45    46   0.19450  1.0 3.0
   43    41    45    46  -0.11600  1.0 1.0
   43    41    45    46  -0.09450 -1.0 2.0
   43    41    45    46   0.21250  1.0 3.0
   44    43    47    33   0.00000  1.0 1.0
   44    43    47    48   0.33100  1.0 3.0
   44    43    49    50   0.19450  1.0 3.0
   47    33    37    38  -0.18600  1.0 3.0
   47    33   -37    39   0.28850  1.0 1.0
   47    33   -37    39   2.61350 -1.0 2.0
   47    33   -37    39   0.78400  1.0 3.0
   47    43    49    50  -0.07800  1.0 1.0
   47    43    49    50  -0.21500 -1.0 2.0
   47    43    49    50  -0.03150  1.0 3.0
   49    43    47    33   0.67800  1.0 1.0
   49    43    47    33   0.47050 -1.0 2.0
   49    43    47    33  -0.62500  1.0 3.0
   49    43    47    48   0.00000  1.0 1.0
   45    41    43    44   0.23400  1.0 3.0
   45    41    43    47   1.05650  1.0 1.0
   45    41    43    47   0.15600 -1.0 2.0
   45    41    43    47   0.53150  1.0 3.0
   45    41    43    49   3.75450  1.0 1.0
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    37    33    47   1.10000 -1.0 2.0
   33    38    37    39   1.10000 -1.0 2.0
   41    40    39    37   1.10000 -1.0 2.0
   43    48    47    33   1.10000 -1.0 2.0
END
