REMARK  Name = BDB039138
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        6.274  -1.744   0.064  0.00  0.00    +0.403 C 
ATOM      2  N   LIG    1        4.992  -1.972  -0.404  0.00  0.00    -0.263 N 
ATOM      3  C   LIG    1        3.909  -1.035  -0.112  0.00  0.00    +0.148 C 
ATOM      4  C   LIG    1        2.625  -1.302  -0.855  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1        2.485  -2.397  -1.740  0.00  0.00    -0.039 A 
ATOM      6  C   LIG    1        1.285  -2.611  -2.434  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        0.180  -1.773  -2.259  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        0.326  -0.705  -1.367  0.00  0.00    +0.069 A 
ATOM      9  N   LIG    1       -0.525   0.298  -0.954  0.00  0.00    -0.327 N 
ATOM     10  C   LIG    1        0.158   1.102  -0.063  0.00  0.00    +0.114 A 
ATOM     11  N   LIG    1        1.385   0.651   0.114  0.00  0.00    -0.232 NA
ATOM     12  C   LIG    1        3.662  -3.309  -1.983  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1        1.508  -0.460  -0.680  0.00  0.00    +0.094 A 
ATOM     14  C   LIG    1        4.615  -3.321  -0.792  0.00  0.00    +0.116 C 
ATOM     15  O   LIG    1        7.181  -2.569   0.014  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  10  16
ATOM     16  C   LIG    1       -0.408   2.329   0.601  0.00  0.00    +0.055 C 
ATOM     17  C   LIG    1       -0.022   3.588  -0.190  0.00  0.00    +0.011 C 
ATOM     18  C   LIG    1       -0.546   4.856   0.482  0.00  0.00    +0.001 C 
ATOM     19  C   LIG    1       -0.091   4.954   1.935  0.00  0.00    +0.000 C 
ATOM     20  C   LIG    1       -0.463   3.704   2.728  0.00  0.00    +0.001 C 
ATOM     21  C   LIG    1        0.067   2.438   2.060  0.00  0.00    +0.011 C 
ENDBRANCH  10  16
BRANCH   1  23
ATOM     22  C   LIG    1        7.733  -0.219   1.083  0.00  0.00    +0.282 C 
ATOM     23  O   LIG    1        6.423  -0.497   0.592  0.00  0.00    -0.454 OA
ENDBRANCH   1  23
BRANCH   9  24
ATOM     24  C   LIG    1       -1.883   0.478  -1.436  0.00  0.00    +0.127 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.910  -0.471  -0.790  0.00  0.00    +0.009 C 
ATOM     26  C   LIG    1       -4.255  -0.369  -1.536  0.00  0.00    +0.006 C 
ATOM     27  C   LIG    1       -5.471  -0.715  -0.674  0.00  0.00    +0.015 C 
ATOM     28  C   LIG    1       -5.143  -1.755   0.398  0.00  0.00    +0.098 C 
ATOM     29  C   LIG    1       -4.041  -1.253   1.341  0.00  0.00    +0.015 C 
ATOM     30  C   LIG    1       -3.108  -0.215   0.709  0.00  0.00    +0.006 C 
BRANCH  28  31
ATOM     31  C   LIG    1       -6.378  -2.127   1.188  0.00  0.00    +0.308 C 
ATOM     32  O   LIG    1       -7.468  -1.582   1.153  0.00  0.00    -0.251 OA
BRANCH  31  33
ATOM     33  O   LIG    1       -6.171  -3.192   1.988  0.00  0.00    -0.480 OA
ATOM     34  H   LIG    1       -7.034  -3.326   2.434  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  28  31
ENDBRANCH  24  25
ENDBRANCH   9  24
TORSDOF 6