REMARK  Name = BDB053569
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.482   0.369   0.108  0.00  0.00    -0.047 A 
ATOM      2  C   LIG    1       -1.198   0.537  -1.077  0.00  0.00    +0.005 A 
ATOM      3  C   LIG    1       -2.600   0.543  -1.071  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1       -3.337   0.379   0.114  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1       -2.597   0.206   1.294  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1       -1.194   0.199   1.295  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1       -4.769   0.386   0.116  0.00  0.00    -0.202 N 
ATOM      8  C   LIG    1       -5.564   0.551  -1.002  0.00  0.00    +0.258 C 
ATOM      9  O   LIG    1       -5.301   0.717  -2.180  0.00  0.00    -0.269 OA
ATOM     10  C   LIG    1       -6.953   0.496  -0.559  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1       -6.951   0.300   0.802  0.00  0.00    +0.050 A 
ATOM     12  C   LIG    1       -8.124   0.203   1.528  0.00  0.00    +0.014 A 
ATOM     13  C   LIG    1       -9.327   0.313   0.824  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -9.329   0.513  -0.571  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -8.128   0.608  -1.280  0.00  0.00    +0.014 A 
ATOM     16  C   LIG    1       -5.561   0.228   1.238  0.00  0.00    +0.258 C 
ATOM     17  O   LIG    1       -5.295   0.055   2.415  0.00  0.00    -0.269 OA
ENDBRANCH   4   7
BRANCH   1  18
ATOM     18  C   LIG    1        1.026   0.341   0.102  0.00  0.00    +0.040 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.563  -1.078  -0.104  0.00  0.00    +0.040 C 
BRANCH  19  23
ATOM     20  C   LIG    1        5.889  -1.109  -0.116  0.00  0.00    -0.047 A 
ATOM     21  C   LIG    1        5.180  -1.280   1.079  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        3.784  -1.277   1.082  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        3.071  -1.105  -0.110  0.00  0.00    -0.047 A 
ATOM     24  C   LIG    1        3.779  -0.928  -1.305  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        5.176  -0.932  -1.308  0.00  0.00    +0.004 A 
BRANCH  20  26
ATOM     26  C   LIG    1        7.399  -1.096  -0.118  0.00  0.00    +0.046 C 
BRANCH  26  27
ATOM     27  C   LIG    1        7.987   0.213   0.399  0.00  0.00    +0.125 C 
BRANCH  27  29
ATOM     28  O   LIG    1        7.316   2.486  -0.136  0.00  0.00    -0.251 OA
ATOM     29  C   LIG    1        7.708   1.387  -0.496  0.00  0.00    +0.305 C 
BRANCH  29  30
ATOM     30  O   LIG    1        8.017   1.168  -1.788  0.00  0.00    -0.481 OA
ATOM     31  H   LIG    1        7.813   2.023  -2.221  0.00  0.00    +0.295 HD
ENDBRANCH  29  30
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  20  26
ENDBRANCH  19  23
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 8