REMARK  Name = BDB058931
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.057   0.620  -0.601  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1        0.669   1.732  -0.149  0.00  0.00    +0.006 A 
ATOM      3  C   LIG    1        2.013   1.608   0.217  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1        2.674   0.374   0.127  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1        1.950  -0.732  -0.338  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1        0.606  -0.611  -0.705  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        4.083   0.241   0.527  0.00  0.00    -0.004 A 
ATOM      8  C   LIG    1        5.145   0.870  -0.153  0.00  0.00    +0.067 A 
ATOM      9  C   LIG    1        6.463   0.777   0.321  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        6.746   0.027   1.460  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        5.715  -0.624   2.131  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.399  -0.515   1.672  0.00  0.00    +0.009 A 
BRANCH   8  13
ATOM     13  C   LIG    1        4.945   1.666  -1.379  0.00  0.00    +0.337 C 
ATOM     14  O   LIG    1        5.376   2.786  -1.578  0.00  0.00    -0.245 OA
BRANCH  13  15
ATOM     15  O   LIG    1        4.296   0.970  -2.327  0.00  0.00    -0.477 OA
ATOM     16  H   LIG    1        4.248   1.582  -3.089  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH   8  13
ENDBRANCH   4   7
BRANCH   1  17
ATOM     17  C   LIG    1       -1.500   0.788  -1.016  0.00  0.00    +0.158 C 
BRANCH  17  19
ATOM     18  C   LIG    1       -2.894  -0.290   0.805  0.00  0.00    +0.111 A 
ATOM     19  N   LIG    1       -2.378  -0.241  -0.474  0.00  0.00    -0.323 N 
ATOM     20  C   LIG    1       -2.888  -1.311  -1.183  0.00  0.00    +0.070 A 
ATOM     21  C   LIG    1       -3.692  -1.984  -0.265  0.00  0.00    +0.103 A 
ATOM     22  C   LIG    1       -4.367  -3.149  -0.674  0.00  0.00    +0.045 A 
ATOM     23  C   LIG    1       -4.215  -3.605  -1.989  0.00  0.00    +0.017 A 
ATOM     24  C   LIG    1       -3.404  -2.912  -2.888  0.00  0.00    +0.003 A 
ATOM     25 BR   LIG    1       -5.474  -4.106   0.524  0.00  0.00    -0.048 Br
ATOM     26  C   LIG    1       -2.723  -1.751  -2.505  0.00  0.00    +0.028 A 
ATOM     27  N   LIG    1       -3.677  -1.340   0.950  0.00  0.00    -0.231 NA
BRANCH  18  28
ATOM     28  C   LIG    1       -2.607   0.703   1.886  0.00  0.00    +0.074 C 
BRANCH  28  30
ATOM     29  C   LIG    1       -4.997   1.503   2.268  0.00  0.00    +0.004 C 
ATOM     30  C   LIG    1       -3.576   1.886   1.878  0.00  0.00    +0.004 C 
ENDBRANCH  28  30
ENDBRANCH  18  28
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 7