REMARK  Name = BDB007280
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.866   2.789  -0.294  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1        0.071   1.750  -0.312  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1       -0.317   0.409  -0.115  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1       -1.681   0.105   0.115  0.00  0.00    +0.006 A 
ATOM      5  C   LIG    1       -2.094  -1.297   0.337  0.00  0.00    -0.004 A 
ATOM      6  C   LIG    1       -1.123  -2.307   0.359  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1        0.305  -1.978   0.141  0.00  0.00    +0.259 A 
ATOM      8  O   LIG    1        1.136  -2.884   0.210  0.00  0.00    -0.267 OA
ATOM      9  C   LIG    1       -1.470  -3.653   0.580  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -2.797  -4.016   0.777  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -3.779  -3.036   0.754  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -3.432  -1.697   0.537  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1       -2.604   1.173   0.131  0.00  0.00    +0.011 A 
ATOM     14  N   LIG    1        0.647  -0.651  -0.136  0.00  0.00    -0.308 N 
ATOM     15  C   LIG    1       -2.206   2.495  -0.072  0.00  0.00    +0.016 A 
ENDROOT
BRANCH   1  17
ATOM     16  O   LIG    1       -1.243   5.158  -0.482  0.00  0.00    -0.245 OA
ATOM     17  C   LIG    1       -0.483   4.207  -0.498  0.00  0.00    +0.337 C 
BRANCH  17  18
ATOM     18  O   LIG    1        0.833   4.368  -0.714  0.00  0.00    -0.477 OA
ATOM     19  H   LIG    1        0.943   5.335  -0.831  0.00  0.00    +0.295 HD
ENDBRANCH  17  18
ENDBRANCH   1  17
BRANCH  14  20
ATOM     20  C   LIG    1        2.068  -0.381  -0.382  0.00  0.00    +0.127 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.818  -0.042   0.909  0.00  0.00    +0.049 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.303   0.163   0.656  0.00  0.00    +0.157 C 
BRANCH  22  23
ATOM     23  O   LIG    1        4.492   1.275  -0.209  0.00  0.00    -0.395 OA
ATOM     24  H   LIG    1        5.452   1.389  -0.318  0.00  0.00    +0.209 HD
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  14  20
TORSDOF 6