* LIGAND DATABASE FILE (OPLS2005)
*
001      59    59    102    154     299
    1     0 S   NP   _N1_     1    28.77314    94.09293   -23.09631
    2     1 S   H    _HN1     2     1.02942    24.98679   146.53964
    3     1 S   H    _H1_     3     1.02803    99.67898  -102.05894
    4     1 S   H    _H2_     4     1.02860    88.32653     6.10763
    5     1 S   CT   _CA1     5     1.50468   133.74760   124.40275
    6     5 S   HC   _HA1     6     1.09687   104.65926    72.70411
    7     5 S   CO3  _C1_     7     1.54425   110.78621   -43.48344
    8     7 S   O2Z  _O11     8     1.26082   116.64930  -111.51671
    9     7 S   O2Z  _O12     9     1.26538   113.80776    66.91080
   10     5 S   CT   _CB1    10     1.53088   107.03440  -171.25086
   11    10 S   HC   HB11    11     1.09837   109.97219   -43.16134
   12    10 S   HC   HB12    12     1.09774   110.29965    73.53400
   13    10 S   CT   _CG1    13     1.53012   112.20742  -163.68627
   14    13 S   HC   HG11    14     1.09438   110.88072   -55.61354
   15    13 S   HC   HG12    15     1.09671   109.80934    63.16588
   16    13 S   C    _CD1    16     1.51797   112.15354  -176.86194
   17    16 S   O    _OE1    17     1.22762   123.22196    -6.78171
   18    16 S   N    _N2_    18     1.38574   111.72288   174.21728
   19    18 S   H    _HN2    19     1.01620   119.10880     0.64041
   20    18 S   CT1  _CA2    20     1.46274   123.53932   179.55721
   21    20 S   HC   _HA2    21     1.09736   109.21295     5.01610
   22    20 S   C    _C2_    22     1.53575   109.52344  -110.69383
   23    22 S   O    _O2_    23     1.23100   122.12608  -153.88693
   24    20 S   CT   _CB2    32     1.53365   111.03415   126.69908
   25    24 S   HC   HB21    33     1.09421   109.29030    56.57348
   26    24 S   HC   HB22    34     1.09496   110.84650   175.39759
   27    22 S   N    _N3_    24     1.38311   114.01099    33.80605
   28    27 S   H    _HN3    25     1.01565   119.51872    -4.05053
   29    24 S   S    _SG2    35     1.82871   111.07420   -64.92337
   30    27 S   CT   _CA3    26     1.45267   123.14547   176.94937
   31    30 S   HC   HA31    27     1.09553   107.57690   -62.86335
   32    30 S   HC   HA32    28     1.09560   107.89007    53.53128
   33    29 S   CT   _C13    36     1.81967    99.76635   165.76371
   34    33 S   HC   _H3_    37     1.09439   107.69657    55.77057
   35    33 S   HC   _H4_    38     1.09425   108.00378   170.35188
   36    30 S   CO3  _C3_    29     1.52931   114.17254   175.51358
   37    36 S   O2Z  _O31    30     1.26364   116.11872     0.55883
   38    36 S   O2Z  _O32    31     1.26439   114.39649  -179.41684
   39    33 S   CM   _C9_    39     1.50006   113.05438   -68.26910
   40    39 S   CMA  _C10    40     1.52214   121.10354   120.56466
   41    40 S   OM   _O34    41     1.26329   121.21785  -133.90760
   42    40 S   OM   _O13    42     1.26344   120.47434    46.16787
   43    39 S   OS   _O16    43     1.38591   119.62376   -44.35220
   44    43 S   CT   _C12    44     1.43952   113.55625   -72.66384
   45    44 S   HC   _H22    45     1.09701   110.65744    34.62576
   46    44 S   CM   _C6_    46     1.51368   108.54184   -85.73627
   47    46 S   HC   _H20    47     1.08653   116.80827    80.70981
   48    46 S   CM   _C7_    48     1.34448   122.28713   -98.15035
   49    48 S   CM   _C4_    49     1.44703   120.51843     2.27331
   50    49 S   HC   _H18    50     1.08485   119.36129   166.06120
   51    48 S   CO3  _C8_    57     1.54167   121.07986   179.71607
   52    51 S   O2Z  _O33    58     1.26654   115.74529    26.07155
   53    51 S   O2Z  _O14    59     1.26596   116.06232  -154.75433
   54    49 S   CM   _C5_    51     1.34162   121.04763   -14.99546
   55    54 S   HC   _H19    52     1.08553   119.59702  -177.71938
   56    44 S   CT   _C11    53     1.55387   109.28728   152.13682
   57    56 S   HC   _H21    54     1.09787   108.60580  -155.57797
   58    56 S   OH   _O15    55     1.42421   110.35976   -38.89921
   59    58 S   HO   _H25    56     0.97552   108.07349   177.09316
  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   6   5   4   3
   8   4   3   2   1   1   8   4   2   1   9  12   7  11   4   8
   9   4   3   1   1   5   3   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    36    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    35    39    27  
   26    29    33  
   29    33  
   28    30    31    32    36    37    38  
   30    31    32    36  
   33    34    35    39    40    43  
   31    32    36    37    38  
   32    36    37    38  
   36    37    38  
   34    35    39    40    41    42    43    44  
   35    39    40    43  
   39    40    43  
   37    38  
   38  
    0  
   40    41    42    43    44    45    46    56  
   41    42    43    44  
   42    43  
   43  
   44    45    46    47    48    54    56    57    58  
   45    46    47    48    49    54    55    56    57    58    59    51  
   46    47    48    54    56    57    58  
   47    48    49    50    54    56    57    58    51    52    53  
   48    49    56    51  
   49    50    54    55    56    51    52    53  
   50    54    55    56    57    58    51    52    53  
   54    55    56    51  
   52    53    54  
   53  
    0  
   55    56    57    58    59  
   56    57    58  
   57    58    59  
   58    59  
   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   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   36   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   39   3.5500   0.0760  -0.516200   2.0020   1.7750   0.023028004  -0.852763146
   40   3.5500   0.0760   0.149000   2.0020   1.7750   0.023028004  -0.852763146
   41   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   42   3.1500   0.2500  -0.773900   1.7000   1.5000   0.001000000  -0.126889456
   43   2.8500   0.1400  -0.285000   1.5900   1.4000   0.020110767  -0.896042159
   44   3.5000   0.0660   0.239000   1.9750   1.7500   0.005000000  -0.741685710
   45   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5500   0.0760  -0.184000   2.0020   1.7750   0.023028004  -0.852763146
   47   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   48   3.5500   0.0760  -0.310300   2.0020   1.7750   0.023028004  -0.852763146
   49   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   50   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   51   3.7500   0.1050   0.910300   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
   54   3.5500   0.0760  -0.115000   2.0020   1.7750   0.023028004  -0.852763146
   55   2.4200   0.0300   0.115000   1.4250   1.2500   0.008598240   0.268726247
   56   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   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    36   317.000  1.522
   36    37   656.000  1.250
   36    38   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    35   340.000  1.090
   33    39   317.000  1.510
   39    40   465.000  1.376
   39    43   440.000  1.360
   40    41   745.000  1.250
   40    42   745.000  1.250
   43    44   320.000  1.410
   44    45   340.000  1.090
   44    46   317.000  1.510
   44    56   268.000  1.529
   46    47   340.000  1.080
   46    48   549.000  1.340
   48    49   380.000  1.444
   48    51   230.000  1.545
   49    50   340.000  1.080
   49    54   549.000  1.340
   54    55   340.000  1.080
   54    56   317.000  1.510
   56    57   340.000  1.090
   56    58   320.000  1.410
   58    59   553.000  0.945
   51    52   656.000  1.250
   51    53   656.000  1.250
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    36    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    36    37    70.00000  117.00000
   30    36    38    70.00000  117.00000
   32    30    31    33.00000  107.80000
   36    30    31    35.00000  109.50000
   36    30    32    35.00000  109.50000
   38    36    37    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    35    35.00000  109.50000
   29    33    39    75.00000  112.20000
   33    39    40    70.00000  124.00000
   33    39    43    85.00000  112.85300
   35    33    34    33.00000  107.80000
   39    33    34    35.00000  109.50000
   39    33    35    35.00000  109.50000
   39    40    41    65.00000  137.10300
   39    40    42    65.00000  137.10300
   39    43    44    90.00000  111.18400
   42    40    41    65.00000  121.00000
   43    39    40    80.00000  120.01400
   43    44    45    35.00000  109.50000
   43    44    46    85.00000  110.90400
   43    44    56    50.00000  109.50000
   44    46    47    35.00000  117.00000
   44    46    48    70.00000  124.00000
   44    56    54    70.00000  112.02700
   44    56    57    37.50000  110.70000
   44    56    58    50.00000  109.50000
   46    44    45    35.00000  109.50000
   46    48    49    70.00000  123.01800
   46    48    51    55.00000  124.75400
   48    46    47    35.00000  120.00000
   48    49    50    35.00000  120.00000
   48    49    54    70.00000  123.01800
   48    51    52    85.00000  113.83300
   48    51    53    85.00000  113.83300
   49    54    55    35.00000  120.00000
   49    54    56    70.00000  124.00000
   54    49    50    35.00000  120.00000
   54    56    57    35.00000  109.50000
   54    56    58    90.00000  110.39200
   56    44    45    37.50000  110.70000
   56    44    46    70.00000  112.02700
   56    54    55    35.00000  117.00000
   56    58    59    55.00000  108.50000
   58    56    57    35.00000  109.50000
   51    48    49    55.00000  124.75400
   53    51    52    80.00000  126.00000
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    36  -0.29800  1.0 1.0
   22    27    30    36   0.13950 -1.0 2.0
   22    27    30    36  -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    36    37   0.00000  1.0 1.0
   27    30    36    38   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    36   0.00000  1.0 1.0
   31    30    36    37   0.00000  1.0 1.0
   31    30    36    38   0.00000  1.0 1.0
   32    30    36    37   0.00000  1.0 1.0
   32    30    36    38   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    35   0.32350  1.0 3.0
   24    29    33    39  -0.62250  1.0 1.0
   24    29    33    39  -0.38450 -1.0 2.0
   24    29    33    39   0.81900  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    39    40   0.42700  1.0 1.0
   29    33    39    40  -0.70350 -1.0 2.0
   29    33    39    40  -0.43150  1.0 3.0
   29    33    39    43   0.09700  1.0 1.0
   29    33    39    43   0.15600 -1.0 2.0
   29    33    39    43  -0.50800  1.0 3.0
   33    39    40    41   7.00000 -1.0 2.0
   33    39    40    42   7.00000 -1.0 2.0
   33    39    43    44   2.00000 -1.0 2.0
   34    33    39    40   0.00000  1.0 1.0
   34    33    39    43   0.00000  1.0 1.0
   35    33    39    40   0.00000  1.0 1.0
   35    33    39    43   0.00000  1.0 1.0
   39    43    44    45   0.08050  1.0 3.0
   39    43    44    46  -0.48150  1.0 1.0
   39    43    44    46   0.09250 -1.0 2.0
   39    43    44    46  -0.12850  1.0 3.0
   39    43    44    56  -0.46850  1.0 1.0
   39    43    44    56   0.09300 -1.0 2.0
   39    43    44    56  -0.12850  1.0 3.0
   40    39    43    44  -2.26850  1.0 1.0
   40    39    43    44   3.39050 -1.0 2.0
   43    39    40    41   7.00000 -1.0 2.0
   43    39    40    42   7.00000 -1.0 2.0
   43    44    46    47   0.00000  1.0 1.0
   43    44    46    48   0.39000  1.0 1.0
   43    44    46    48  -0.05800 -1.0 2.0
   43    44    46    48  -0.55150  1.0 3.0
   43    44    56    54   0.61850  1.0 1.0
   43    44    56    54  -0.22750 -1.0 2.0
   43    44    56    54   0.15300  1.0 3.0
   43    44    56    57   0.23400  1.0 3.0
   43    44    56    58   3.69350  1.0 1.0
   43    44    56    58  -1.82950 -1.0 2.0
   44    46    48    49   7.00000 -1.0 2.0
   44    46    48    51   7.00000 -1.0 2.0
   44    56    58    59  -0.11600  1.0 1.0
   44    56    58    59  -0.09450 -1.0 2.0
   44    56    58    59   0.21250  1.0 3.0
   45    44    46    47   0.33100  1.0 3.0
   45    44    46    48   0.00000  1.0 1.0
   45    44    56    54   0.15000  1.0 3.0
   45    44    56    57   0.15000  1.0 3.0
   45    44    56    58   0.23400  1.0 3.0
   46    44    56    54   0.31000  1.0 1.0
   46    44    56    54   0.14700 -1.0 2.0
   46    44    56    54   0.07550  1.0 3.0
   46    44    56    57   0.15000  1.0 3.0
   46    44    56    58   1.05650  1.0 1.0
   46    44    56    58   0.15600 -1.0 2.0
   46    44    56    58   0.53150  1.0 3.0
   46    48    49    50  -0.18600  1.0 3.0
   46    48   -49    54   0.28850  1.0 1.0
   46    48   -49    54   2.61350 -1.0 2.0
   46    48   -49    54   0.78400  1.0 3.0
   46    48    51    52  -0.04000 -1.0 2.0
   46    48    51    52  -0.29050  1.0 3.0
   46    48    51    53  -0.04000 -1.0 2.0
   46    48    51    53  -0.29050  1.0 3.0
   47    46    48    49   7.00000 -1.0 2.0
   47    46    48    51   7.00000 -1.0 2.0
   48    49    54    55   7.00000 -1.0 2.0
   48    49    54    56   7.00000 -1.0 2.0
   49    48    51    52  -0.04000 -1.0 2.0
   49    48    51    52  -0.29050  1.0 3.0
   49    48    51    53  -0.04000 -1.0 2.0
   49    48    51    53  -0.29050  1.0 3.0
   49    54   -56    44   0.09850  1.0 1.0
   49    54   -56    44   0.15250 -1.0 2.0
   49    54   -56    44  -0.50650  1.0 3.0
   49    54    56    57   0.00000  1.0 1.0
   49    54    56    58   0.67800  1.0 1.0
   49    54    56    58   0.47050 -1.0 2.0
   49    54    56    58  -0.62500  1.0 3.0
   50    49    54    55   7.00000 -1.0 2.0
   50    49    54    56   7.00000 -1.0 2.0
   54    56    58    59  -0.07800  1.0 1.0
   54    56    58    59  -0.21500 -1.0 2.0
   54    56    58    59  -0.03150  1.0 3.0
   55    54    56    44   0.00000  1.0 1.0
   55    54    56    57   0.33100  1.0 3.0
   55    54    56    58   0.00000  1.0 1.0
   56    44    46    47   0.00000  1.0 1.0
   56    44   -46    48   0.09850  1.0 1.0
   56    44   -46    48   0.15250 -1.0 2.0
   56    44   -46    48  -0.50650  1.0 3.0
   57    56    58    59   0.19450  1.0 3.0
   51    48    49    50   0.00000  1.0 1.0
   51    48    49    54  -0.18600  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
   38    30    36    37  10.50000 -1.0 2.0
   33    43    39    40  15.00000 -1.0 2.0
   41    42    40    39  15.00000 -1.0 2.0
   44    47    46    48   1.10000 -1.0 2.0
   49    51    48    46   1.10000 -1.0 2.0
   48    50    49    54   1.10000 -1.0 2.0
   56    55    54    49   1.10000 -1.0 2.0
   52    48    51    53  10.50000 -1.0 2.0
END
