REMARK  Name = BDB039048
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.538   2.407   2.136  0.00  0.00    +0.403 C 
ATOM      2  N   LIG    1        3.809   2.280   0.967  0.00  0.00    -0.263 N 
ATOM      3  C   LIG    1        3.023   1.062   0.800  0.00  0.00    +0.148 C 
ATOM      4  C   LIG    1        2.038   1.103  -0.341  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1        1.955   2.208  -1.219  0.00  0.00    -0.039 A 
ATOM      6  C   LIG    1        1.020   2.225  -2.264  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        0.159   1.148  -2.491  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        0.259   0.053  -1.626  0.00  0.00    +0.069 A 
ATOM      9  N   LIG    1       -0.428  -1.142  -1.526  0.00  0.00    -0.327 N 
ATOM     10  C   LIG    1        0.136  -1.871  -0.496  0.00  0.00    +0.114 A 
ATOM     11  N   LIG    1        1.081  -1.171   0.100  0.00  0.00    -0.232 NA
ATOM     12  C   LIG    1        2.842   3.407  -0.993  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1        1.173   0.015  -0.579  0.00  0.00    +0.094 A 
ATOM     14  C   LIG    1        4.116   3.035  -0.241  0.00  0.00    +0.116 C 
ATOM     15  O   LIG    1        4.445   1.641   3.089  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  10  16
ATOM     16  C   LIG    1       -0.255  -3.272  -0.100  0.00  0.00    +0.055 C 
ATOM     17  C   LIG    1        0.960  -4.222  -0.179  0.00  0.00    +0.011 C 
ATOM     18  C   LIG    1        1.638  -4.414   1.174  0.00  0.00    +0.001 C 
ATOM     19  C   LIG    1        0.681  -5.000   2.213  0.00  0.00    +0.000 C 
ATOM     20  C   LIG    1       -0.781  -4.617   1.984  0.00  0.00    +0.001 C 
ATOM     21  C   LIG    1       -0.909  -3.263   1.296  0.00  0.00    +0.011 C 
ENDBRANCH  10  16
BRANCH   1  23
ATOM     22  C   LIG    1        6.138   3.647   3.314  0.00  0.00    +0.282 C 
ATOM     23  O   LIG    1        5.374   3.482   2.119  0.00  0.00    -0.454 OA
ENDBRANCH   1  23
BRANCH   9  24
ATOM     24  C   LIG    1       -1.494  -1.568  -2.409  0.00  0.00    +0.124 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.900  -1.650  -1.796  0.00  0.00    +0.025 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -3.595  -0.356  -1.323  0.00  0.00    -0.009 C 
ATOM     27  C   LIG    1       -2.989   0.256  -0.056  0.00  0.00    +0.018 C 
ATOM     28  C   LIG    1       -3.893   1.357   0.520  0.00  0.00    +0.098 C 
ATOM     29  C   LIG    1       -4.632   2.169  -0.556  0.00  0.00    +0.015 C 
ATOM     30  C   LIG    1       -3.926   2.123  -1.907  0.00  0.00    +0.001 C 
ATOM     31  C   LIG    1       -3.768   0.694  -2.434  0.00  0.00    +0.003 C 
BRANCH  28  32
ATOM     32  C   LIG    1       -3.089   2.242   1.446  0.00  0.00    +0.308 C 
ATOM     33  O   LIG    1       -3.120   2.208   2.666  0.00  0.00    -0.251 OA
BRANCH  32  34
ATOM     34  O   LIG    1       -2.262   3.090   0.807  0.00  0.00    -0.480 OA
ATOM     35  H   LIG    1       -1.764   3.526   1.530  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH  28  32
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   9  24
TORSDOF 7