* LIGAND DATABASE FILE (OPLS2005)
*
001      59    58    101    147     295
    1     0 S   NP   _N1_     1    31.03135    90.93342   -18.88260
    2     1 S   H    _HN1     2     1.03562   121.85561   -28.91139
    3     1 S   H    _H1_     3     1.03325   118.27901   105.23348
    4     1 S   H    _H2_     4     1.02608    25.73796    34.03049
    5     1 S   CT   _CA1     5     1.50060    86.48852  -142.24416
    6     5 S   HC   _HA1     6     1.09554   105.09943    66.17941
    7     5 S   CO3  _C1_     7     1.53627   113.83972   -54.35588
    8     7 S   O2Z  _O11     8     1.26338   115.51735   -32.40193
    9     7 S   O2Z  _O12     9     1.26375   114.89171   146.96927
   10     5 S   CT   _CB1    10     1.52644   106.70283  -175.81348
   11    10 S   HC   HB11    11     1.09601   108.85854   -46.42196
   12    10 S   HC   HB12    12     1.09804   109.87615    69.37865
   13    10 S   CT   _CG1    13     1.53115   114.39061  -167.69193
   14    13 S   HC   HG11    14     1.09512   111.27964   -82.35151
   15    13 S   HC   HG12    15     1.09568   111.05615    38.01326
   16    13 S   C    _CD1    16     1.51525   108.85518   156.65416
   17    16 S   O    _OE1    17     1.22819   121.94254  -110.02410
   18    16 S   N    _N2_    18     1.38499   112.82748    67.50983
   19    18 S   H    _HN2    19     1.01545   119.12095    10.57637
   20    18 S   CT1  _CA2    20     1.45916   122.97149  -163.95541
   21    20 S   HC   _HA2    21     1.09610   108.26859    16.06081
   22    20 S   C    _C2_    22     1.53600   111.54104  -100.31681
   23    22 S   O    _O2_    23     1.23206   121.61280  -155.59007
   24    20 S   CT   _CB2    32     1.53895   111.39320   136.69141
   25    24 S   HC   HB21    33     1.09706   109.00229    75.18511
   26    24 S   HC   HB22    34     1.09520   110.83130  -168.61246
   27    22 S   N    _N3_    24     1.38128   114.74003    31.32034
   28    27 S   H    _HN3    25     1.01559   119.77836    -2.81376
   29    24 S   S    _SG2    35     1.83112   115.97169   -43.29724
   30    27 S   CT   _CA3    26     1.45332   122.84573   176.99697
   31    30 S   HC   HA31    27     1.09563   107.44067   -64.60792
   32    30 S   HC   HA32    28     1.09569   107.97220    51.70935
   33    29 S   CT   _C6_    36     1.82754   101.62612   -66.20266
   34    33 S   HC   _H3_    37     1.09346   108.04234    46.60361
   35    30 S   CO3  _C3_    29     1.52881   114.43292   173.75330
   36    35 S   O2Z  _O31    30     1.26315   116.15524    -1.66800
   37    35 S   O2Z  _O32    31     1.26458   114.36580   178.43202
   38    33 S   CM   _C7_    38     1.51706   111.13068   166.75362
   39    33 S   N    _N4_    52     1.45355   109.87604   -73.28764
   40    39 S   H    _H8_    53     1.01411   117.30104   -72.11879
   41    38 S   CMA  _C8_    39     1.53455   118.20212  -136.60940
   42    41 S   OM   _O34    40     1.26276   120.68783   -49.42896
   43    41 S   OM   _O35    41     1.26259   121.07623   130.91652
   44    38 S   CT   _C9_    42     1.52332   121.20179    57.12154
   45    44 S   HC   _H4_    43     1.09785   109.83256    -5.92523
   46    39 S   C    _C5_    54     1.38193   123.61204   106.99532
   47    46 S   O    _O33    55     1.22766   125.92535    -2.41062
   48    44 S   CO3  _C11    44     1.54684   110.86545  -120.71210
   49    48 S   O2Z  _O38    45     1.26666   115.97009    50.71487
   50    48 S   O2Z  _O37    46     1.26590   116.00856  -132.27175
   51    44 S   CT   _C10    47     1.53314   110.84439   112.15659
   52    51 S   HC   _H9_    48     1.09515   111.09815   -45.64834
   53    51 S   HC   _H10    49     1.09550   112.68191    75.47859
   54    46 S   CT   _C4_    56     1.50482   112.28182   179.21565
   55    54 S   HC   _H5_    57     1.09334   109.36153    76.42550
   56    54 S   HC   _H6_    58     1.09350   109.61952  -163.71989
   57    54 S   HC   _H7_    59     1.09388   110.52311   -44.13088
   58    51 S   OH   _O36    50     1.42697   110.16179  -163.68620
   59    58 S   HO   _H11    51     0.97472   106.11721   -62.60358
  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   8   5   4   3
  14   6   2   1   1  15   9   3   6   2   1   9   7   5   4   6
   2   1   4   3   2   3   2   1   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    39    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    41    44    39    40    46  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    41    42    43    44    45    48    51    39    40    46    47    54  
   38    41    44    39    40    46  
   36    37  
   37  
    0  
   41    42    43    44    45    48    49    50    51    52    53    58    39    40    46  
   40    46    47    54    55    56    57    41    44  
   46    47    54  
   42    43    44    45    48    51  
   43    44  
   44  
   45    48    49    50    51    52    53    58    59  
   48    49    50    51    52    53    58  
   47    54    55    56    57  
   54    55    56    57  
   49    50    51    52    53    58  
   50    51  
   51  
   52    53    58    59  
   53    58    59  
   58    59  
   55    56    57  
   56    57  
   57  
    0  
   59  
    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   0.307500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.3810   1.2100   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  -0.601200   2.0020   1.7750   0.023028004  -0.852763146
   39   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   40   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   41   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   42   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   43   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   44   3.5000   0.0660  -0.160000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   46   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   47   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   48   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   49   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   50   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   51   3.5000   0.0660   0.145000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5000   0.0660  -0.180000   1.9750   1.7500   0.005000000  -0.741685710
   55   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   56   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   57   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   58   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   59   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    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    39   337.000  1.449
   38    41   465.000  1.376
   38    44   317.000  1.510
   41    42   745.000  1.250
   41    43   745.000  1.250
   44    45   340.000  1.090
   44    48   317.000  1.522
   44    51   268.000  1.529
   48    49   656.000  1.250
   48    50   656.000  1.250
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    58   320.000  1.410
   58    59   553.000  0.945
   39    40   434.000  1.010
   39    46   490.000  1.335
   46    47   570.000  1.229
   46    54   317.000  1.522
   54    55   340.000  1.090
   54    56   340.000  1.090
   54    57   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    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    39    80.00000  108.62000
   33    38    41    70.00000  124.00000
   33    38    44    65.00000  117.92700
   33    39    40    38.00000  118.40000
   33    39    46    50.00000  121.90000
   38    33    34    35.00000  109.50000
   38    41    42    65.00000  137.10300
   38    41    43    65.00000  137.10300
   38    44    45    35.00000  109.50000
   38    44    48    65.00000  111.94000
   38    44    51    70.00000  112.02700
   43    41    42    65.00000  121.00000
   44    38    41    70.00000  124.00000
   44    48    49    70.00000  117.00000
   44    48    50    70.00000  117.00000
   44    51    52    37.50000  110.70000
   44    51    53    37.50000  110.70000
   44    51    58    50.00000  109.50000
   48    44    45    35.00000  109.50000
   50    48    49    80.00000  126.00000
   51    44    45    37.50000  110.70000
   51    44    48    70.00000  109.69300
   51    58    59    55.00000  108.50000
   53    51    52    33.00000  107.80000
   58    51    52    35.00000  109.50000
   58    51    53    35.00000  109.50000
   39    33    34    35.00000  109.50000
   39    33    38    75.00000  110.78400
   39    46    47    80.00000  122.90000
   39    46    54    70.00000  116.60000
   46    39    40    35.00000  119.80000
   46    54    55    35.00000  109.50000
   46    54    56    35.00000  109.50000
   46    54    57    35.00000  109.50000
   54    46    47    80.00000  120.40000
   56    54    55    33.00000  107.80000
   57    54    55    33.00000  107.80000
   57    54    56    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    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    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    38    41   0.42700  1.0 1.0
   29    33    38    41  -0.70350 -1.0 2.0
   29    33    38    41  -0.43150  1.0 3.0
   29    33    38    44   0.30250  1.0 1.0
   29    33    38    44  -0.14950 -1.0 2.0
   29    33    38    44   0.36900  1.0 3.0
   29    33    39    40   0.00000  1.0 1.0
   29    33    39    46  -0.42300  1.0 1.0
   29    33    39    46  -0.07000 -1.0 2.0
   29    33    39    46   0.04150  1.0 3.0
   33    38    41    42   7.00000 -1.0 2.0
   33    38    41    43   7.00000 -1.0 2.0
   33    38    44    45   0.34800  1.0 3.0
   33    38    44    48   0.17250  1.0 1.0
   33    38    44    48  -0.04100 -1.0 2.0
   33    38    44    48  -0.33850  1.0 3.0
   33    38    44    51   0.46850  1.0 1.0
   33    38    44    51   0.08550 -1.0 2.0
   33    38    44    51   0.09800  1.0 3.0
   33    39    46    47   3.04450 -1.0 2.0
   33    39    46    54   1.49850  1.0 1.0
   33    39    46    54   1.53950 -1.0 2.0
   34    33    38    41   0.00000  1.0 1.0
   34    33    38    44   0.34800  1.0 3.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    46   0.00000  1.0 1.0
   38    33    39    40   0.00000  1.0 1.0
   38    33    39    46  -0.19250  1.0 1.0
   38    33    39    46  -0.00500 -1.0 2.0
   38    33    39    46   0.17000  1.0 3.0
   38    44    48    49   0.30150 -1.0 2.0
   38    44    48    50   0.30150 -1.0 2.0
   38    44    51    52   0.15000  1.0 3.0
   38    44    51    53   0.15000  1.0 3.0
   38    44    51    58   1.05650  1.0 1.0
   38    44    51    58   0.15600 -1.0 2.0
   38    44    51    58   0.53150  1.0 3.0
   41    38    44    45   0.00000  1.0 1.0
   41    38    44    48  -0.51250  1.0 1.0
   41    38    44    48  -0.88800 -1.0 2.0
   41    38    44    48   0.08850  1.0 3.0
   41    38    44    51   0.09850  1.0 1.0
   41    38    44    51   0.15250 -1.0 2.0
   41    38    44    51  -0.50650  1.0 3.0
   44    38    41    42   7.00000 -1.0 2.0
   44    38    41    43   7.00000 -1.0 2.0
   44    51    58    59  -0.11600  1.0 1.0
   44    51    58    59  -0.09450 -1.0 2.0
   44    51    58    59   0.21250  1.0 3.0
   45    44    48    49   0.00000  1.0 1.0
   45    44    48    50   0.00000  1.0 1.0
   45    44    51    52   0.15000  1.0 3.0
   45    44    51    53   0.15000  1.0 3.0
   45    44    51    58   0.23400  1.0 3.0
   48    44    51    52  -0.11250  1.0 3.0
   48    44    51    53  -0.11250  1.0 3.0
   48    44    51    58  -5.33000  1.0 1.0
   48    44    51    58  -0.54250 -1.0 2.0
   48    44    51    58  -0.07300  1.0 3.0
   51    44    48    49   0.41150 -1.0 2.0
   51    44    48    50   0.41150 -1.0 2.0
   52    51    58    59   0.19450  1.0 3.0
   53    51    58    59   0.19450  1.0 3.0
   39    33    38    41   0.62150  1.0 1.0
   39    33    38    41   0.42850 -1.0 2.0
   39    33    38    41  -0.68200  1.0 3.0
   39    33    38    44   0.09700  1.0 1.0
   39    33    38    44   0.15600 -1.0 2.0
   39    33    38    44  -0.50800  1.0 3.0
   39    46    54    55   0.00000  1.0 1.0
   39    46    54    56   0.00000  1.0 1.0
   39    46    54    57   0.00000  1.0 1.0
   40    39    46    47   2.45000 -1.0 2.0
   40    39    46    54   2.45000 -1.0 2.0
   47    46    54    55   0.00000  1.0 1.0
   47    46    54    56   0.00000  1.0 1.0
   47    46    54    57   0.00000  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
   36    30    35    37  10.50000 -1.0 2.0
   33    44    38    41  15.00000 -1.0 2.0
   42    43    41    38  15.00000 -1.0 2.0
   49    44    48    50  10.50000 -1.0 2.0
   40    46    39    33   1.00000 -1.0 2.0
   39    54    46    47  10.50000 -1.0 2.0
END
