REMARK  Name = BDB047345
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.277  -0.727  -0.215  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1        1.033   0.371   0.194  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1        2.390   0.489  -0.166  0.00  0.00    -0.014 A 
ATOM      4  C   LIG    1        2.992  -0.518  -0.954  0.00  0.00    -0.018 A 
ATOM      5  C   LIG    1        4.345  -0.399  -1.312  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1        5.097   0.701  -0.898  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        4.506   1.695  -0.123  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        2.223  -1.615  -1.364  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1        3.163   1.590   0.240  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1        0.879  -1.713  -0.998  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  11
ATOM     11  O   LIG    1       -1.042  -0.957   0.055  0.00  0.00    -0.478 OA
BRANCH  11  12
ATOM     12  C   LIG    1       -1.732  -0.108   0.971  0.00  0.00    +0.281 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -2.808  -0.905   1.718  0.00  0.00    +0.346 C 
ATOM     14  O   LIG    1       -3.849  -0.464   2.183  0.00  0.00    -0.247 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -2.495  -2.204   1.910  0.00  0.00    -0.478 OA
ATOM     16  H   LIG    1       -3.260  -2.569   2.399  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  12  13
BRANCH  12  17
ATOM     17  C   LIG    1       -2.348   1.101   0.242  0.00  0.00    +0.056 C 
BRANCH  17  19
ATOM     18  C   LIG    1       -4.151  -0.124  -1.116  0.00  0.00    +0.004 C 
ATOM     19  C   LIG    1       -2.964   0.823  -1.136  0.00  0.00    +0.001 C 
ENDBRANCH  17  19
ENDBRANCH  12  17
ENDBRANCH  11  12
ENDBRANCH   1  11
TORSDOF 6