* LIGAND DATABASE FILE (OPLS2005)
*
001      54    54     97    144     285
    1     0 S   NP   _N1_     1    28.78383    95.48167   -23.13597
    2     1 S   H    _HN1     2     1.02784   102.58544   -89.20376
    3     1 S   H    _H1_     3     1.02950    77.95940    17.19119
    4     1 S   H    _H2_     4     1.02829    33.46224   167.32860
    5     1 S   CT   _CA1     5     1.50098   138.30057   124.45981
    6     5 S   HC   _HA1     6     1.09572   105.22011    82.86672
    7     5 S   CO3  _C1_     7     1.53800   112.45365   -37.41241
    8     7 S   O2Z  _O11     8     1.26370   115.01529   -43.04528
    9     7 S   O2Z  _O12     9     1.26240   114.94865   136.17656
   10     5 S   CT   _CB1    10     1.53089   107.43491  -159.13113
   11    10 S   HC   HB11    11     1.09829   109.41864   -49.82705
   12    10 S   HC   HB12    12     1.09814   110.42607    66.79204
   13    10 S   CT   _CG1    13     1.52978   112.57864  -170.81731
   14    13 S   HC   HG11    14     1.09588   110.58985   -64.42725
   15    13 S   HC   HG12    15     1.09667   109.83378    54.79548
   16    13 S   C    _CD1    16     1.51790   112.30204   175.27238
   17    16 S   O    _OE1    17     1.22720   123.32229     4.42576
   18    16 S   N    _N2_    18     1.38640   111.59758  -175.70878
   19    18 S   H    _HN2    19     1.01583   118.93403     2.08938
   20    18 S   CT1  _CA2    20     1.46208   123.43757   178.35789
   21    20 S   HC   _HA2    21     1.09731   109.39772     0.68557
   22    20 S   C    _C2_    22     1.53503   108.59507  -114.85866
   23    22 S   O    _O2_    23     1.23052   122.28554  -148.10265
   24    20 S   CT   _CB2    32     1.53290   111.42908   122.71392
   25    24 S   HC   HB21    33     1.09565   109.89767    55.91828
   26    24 S   HC   HB22    34     1.09512   110.40809   175.01988
   27    22 S   N    _N3_    24     1.38332   113.67244    39.34892
   28    27 S   H    _HN3    25     1.01596   119.57645    -3.34363
   29    24 S   S    _SG2    35     1.82688   111.52692   -65.15570
   30    27 S   CT   _CA3    26     1.45286   123.18292   177.10105
   31    30 S   HC   HA31    27     1.09550   107.51332   -64.45644
   32    30 S   HC   HA32    28     1.09557   107.97634    51.97354
   33    29 S   CT   _C9_    36     1.83756    99.02120   177.20691
   34    33 S   HC   _H6_    37     1.09580   105.10787    58.88750
   35    30 S   CO3  _C3_    29     1.52952   114.09860   173.97595
   36    35 S   O2Z  _O31    30     1.26372   116.06922    -0.47642
   37    35 S   O2Z  _O32    31     1.26429   114.41151   179.57896
   38    33 S   CT   _C8_    38     1.53693   113.78183   176.32837
   39    38 S   HC   _H5_    39     1.09863   108.09566  -169.77032
   40    38 S   CT   _C7_    40     1.52528   112.25255    70.82542
   41    40 S   HC   _H4_    41     1.09460   111.95751   -69.75453
   42    38 S   OH   _O35    53     1.42522   110.83268   -53.38140
   43    42 S   HO   _H10    54     0.97359   107.03387   176.44048
   44    40 S   CO4  _C6_    42     1.51828   108.56954    51.28083
   45    44 S   O    _O33    43     1.23030   121.68744   136.90651
   46    40 S   OH   _O36    51     1.41928   108.79460   171.30869
   47    46 S   HO   _H11    52     0.97337   107.30559  -177.35958
   48    44 S   CT   _C5_    44     1.52623   115.43769   -47.13208
   49    48 S   HC   _H3_    45     1.09558   108.05914   -72.93695
   50    33 S   OS   _O34    46     1.43410   113.37642   -57.50832
   51    48 S   CT   _C4_    47     1.52218   111.56396   167.94170
   52    51 S   HC   _H7_    48     1.09601   110.92007   -60.64714
   53    51 S   HC   _H8_    49     1.09536   110.51308  -179.00810
   54    51 S   HC   _H9_    50     1.09456   111.52634    60.08035
  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
  13   6   2   1   1  11   7  11   6   4   1  10   5   2   1   6
   5   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    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    50    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    48    50    42  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    44    48    49    50    51    46    42    43  
   38    39    40    48    50    42  
   36    37  
   37  
    0  
   39    40    41    44    45    48    50    46    47    42    43  
   40    41    44    50    46    42    43  
   41    44    45    48    49    50    51    46    47    42    43  
   44    45    48    46    47    42  
   43    44    46    50  
    0  
   45    48    49    50    51    52    53    54    46    47  
   48    49    50    51    46  
   47    48  
    0  
   49    50    51    52    53    54  
   50    51    52    53    54  
   51    52    53    54  
   52    53    54  
   53    54  
   54  
    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  -0.316400   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   0.318900   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   3.5000   0.0660   0.205000   1.9750   1.7500   0.005000000  -0.741685710
   41   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   42   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   43   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   44   3.7500   0.1050   0.422000   2.1120   1.8750   0.001000000  -0.126889456
   45   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   46   3.1200   0.1700  -0.683000   1.7660   1.5600   0.021068034  -0.322181743
   47   0.5000   0.0300   0.418000   0.9960   0.8600   0.030040813  -0.651083722
   48   3.5000   0.0660   0.218000   1.9750   1.7500   0.005000000  -0.741685710
   49   2.4200   0.0150   0.030000   1.4250   1.2500   0.008598240   0.268726247
   50   2.9000   0.1400  -0.400000   1.5900   1.4000   0.020110767  -0.896042159
   51   3.5000   0.0660  -0.180000   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   2.5000   0.0300   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    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   268.000  1.529
   33    50   320.000  1.410
   38    39   340.000  1.090
   38    40   268.000  1.529
   38    42   320.000  1.410
   40    41   340.000  1.090
   40    44   317.000  1.522
   40    46   320.000  1.410
   44    45   570.000  1.229
   44    48   317.000  1.522
   48    49   340.000  1.090
   48    50   320.000  1.410
   48    51   268.000  1.529
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    54   340.000  1.090
   46    47   553.000  0.945
   42    43   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    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  111.63000
   29    33    50    85.00000  114.68000
   33    38    39    37.50000  110.70000
   33    38    40    58.35000  112.70000
   33    38    42    50.00000  109.50000
   33    50    48    60.00000  109.50000
   38    33    34    37.50000  110.70000
   38    40    41    37.50000  110.70000
   38    40    44    63.00000  111.10000
   38    40    46    50.00000  109.50000
   38    42    43    55.00000  108.50000
   40    38    39    37.50000  110.70000
   40    44    45    80.00000  120.40000
   40    44    48    70.00000  116.00000
   40    46    47    55.00000  108.50000
   44    40    41    35.00000  109.50000
   44    48    49    35.00000  109.50000
   44    48    50    90.00000  108.74100
   44    48    51    63.00000  111.10000
   48    44    45    80.00000  120.40000
   48    51    52    37.50000  110.70000
   48    51    53    37.50000  110.70000
   48    51    54    37.50000  110.70000
   50    33    34    35.00000  109.50000
   50    33    38    50.00000  109.50000
   50    48    49    35.00000  109.50000
   51    48    49    37.50000  110.70000
   51    48    50    50.00000  109.50000
   53    51    52    33.00000  107.80000
   54    51    52    33.00000  107.80000
   54    51    53    33.00000  107.80000
   46    40    41    35.00000  109.50000
   46    40    44    90.00000  109.61100
   42    38    39    35.00000  109.50000
   42    38    40    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   0.01700  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   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    50   0.13850  1.0 1.0
   24    29    33    50  -1.34450 -1.0 2.0
   24    29    33    50   0.57400  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.44750  1.0 1.0
   29    33    38    40  -0.17800 -1.0 2.0
   29    33    38    40   0.20200  1.0 3.0
   29    33    38    42   0.56750  1.0 1.0
   29    33    38    42  -0.07550 -1.0 2.0
   29    33    38    42   0.20000  1.0 3.0
   29    33    50    48   0.14700  1.0 1.0
   29    33    50    48  -1.16150 -1.0 2.0
   29    33    50    48   0.48700  1.0 3.0
   33    38    40    41   0.15000  1.0 3.0
   33    38    40    44  -0.95700  1.0 1.0
   33    38    40    44  -0.18200 -1.0 2.0
   33    38    40    44   0.29450  1.0 3.0
   33    38    40    46   0.86500  1.0 1.0
   33    38    40    46  -0.17500 -1.0 2.0
   33    38    40    46   0.20800  1.0 3.0
   33    38    42    43  -0.11600  1.0 1.0
   33    38    42    43  -0.09450 -1.0 2.0
   33    38    42    43   0.21250  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    42   0.23400  1.0 3.0
   34    33    50    48   0.37050  1.0 3.0
   38    33    50    48   0.06250  1.0 1.0
   38    33    50    48  -0.01100 -1.0 2.0
   38    33    50    48   0.28050  1.0 3.0
   38    40    44    45   0.30150 -1.0 2.0
   38    40   -44    48   0.60050  1.0 1.0
   38    40   -44    48   0.05600 -1.0 2.0
   38    40   -44    48   0.26150  1.0 3.0
   38    40    46    47  -0.11600  1.0 1.0
   38    40    46    47  -0.09450 -1.0 2.0
   38    40    46    47   0.21250  1.0 3.0
   39    38    40    41   0.15000  1.0 3.0
   39    38    40    44  -0.11250  1.0 3.0
   39    38    40    46   0.23400  1.0 3.0
   39    38    42    43   0.19450  1.0 3.0
   40    38    42    43  -0.11600  1.0 1.0
   40    38    42    43  -0.09450 -1.0 2.0
   40    38    42    43   0.21250  1.0 3.0
   40    44    48    49   0.00000  1.0 1.0
   40    44    48    50   0.55300  1.0 1.0
   40    44    48    50   1.25850 -1.0 2.0
   40    44    48    50  -0.23600  1.0 3.0
   40    44    48    51   0.60050  1.0 1.0
   40    44    48    51   0.05600 -1.0 2.0
   40    44    48    51   0.26150  1.0 3.0
   41    40    44    45   0.00000  1.0 1.0
   41    40    44    48   0.00000  1.0 1.0
   41    40    46    47   0.19450  1.0 3.0
   44    40    46    47   0.91850  1.0 1.0
   44    40    46    47   0.57950  1.0 3.0
   44    48   -50    33  -1.11000  1.0 1.0
   44    48   -50    33   0.50250 -1.0 2.0
   44    48   -50    33   0.47450  1.0 3.0
   44    48    51    52  -0.11250  1.0 3.0
   44    48    51    53  -0.11250  1.0 3.0
   44    48    51    54  -0.11250  1.0 3.0
   45    44    48    49   0.00000  1.0 1.0
   45    44    48    50   0.30150 -1.0 2.0
   45    44    48    51   0.30150 -1.0 2.0
   49    48    50    33   0.37050  1.0 3.0
   49    48    51    52   0.15000  1.0 3.0
   49    48    51    53   0.15000  1.0 3.0
   49    48    51    54   0.15000  1.0 3.0
   50    33    38    39   0.23400  1.0 3.0
   50    33   -38    40   0.62750  1.0 1.0
   50    33   -38    40  -0.30950 -1.0 2.0
   50    33   -38    40   0.27300  1.0 3.0
   50    33    38    42   3.69350  1.0 1.0
   50    33    38    42  -1.82950 -1.0 2.0
   50    48    51    52   0.23400  1.0 3.0
   50    48    51    53   0.23400  1.0 3.0
   50    48    51    54   0.23400  1.0 3.0
   51    48    50    33   0.06250  1.0 1.0
   51    48    50    33  -0.01100 -1.0 2.0
   51    48    50    33   0.28050  1.0 3.0
   46    40    44    45   0.30150 -1.0 2.0
   46    40    44    48   0.55300  1.0 1.0
   46    40    44    48   1.25850 -1.0 2.0
   46    40    44    48  -0.23600  1.0 3.0
   42    38    40    41   0.23400  1.0 3.0
   42    38    40    44  -0.09450  1.0 1.0
   42    38    40    44  -1.12950 -1.0 2.0
   42    38    40    44   0.54000  1.0 3.0
   42    38    40    46   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
   36    30    35    37  10.50000 -1.0 2.0
   40    48    44    45  10.50000 -1.0 2.0
END
