REMARK  Name = BDB002878
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.307  -1.103   0.084  0.00  0.00    +0.145 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.744  -1.641  -0.113  0.00  0.00    +0.144 C 
ATOM      3  C   LIG    1        1.784  -3.109  -0.533  0.00  0.00    +0.040 C 
BRANCH   2   4
ATOM      4  O   LIG    1        2.396  -1.516   1.167  0.00  0.00    -0.370 OA
BRANCH   4   5
ATOM      5  C   LIG    1        3.800  -1.263   1.073  0.00  0.00    +0.195 C 
BRANCH   5   6
ATOM      6  C   LIG    1        4.082   0.188   0.767  0.00  0.00    -0.022 A 
ATOM      7  C   LIG    1        3.405   1.208   1.452  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1        3.675   2.549   1.175  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1        4.631   2.885   0.218  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1        5.319   1.880  -0.461  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1        5.049   0.538  -0.186  0.00  0.00    +0.006 A 
ENDBRANCH   5   6
ENDBRANCH   4   5
ENDBRANCH   2   4
ENDBRANCH   1   2
BRANCH   1  12
ATOM     12  O   LIG    1       -0.337  -1.867   1.111  0.00  0.00    -0.389 OA
ATOM     13  H   LIG    1        0.315  -1.908   1.840  0.00  0.00    +0.210 HD
ENDBRANCH   1  12
BRANCH   1  14
ATOM     14  C   LIG    1       -0.540  -1.166  -1.187  0.00  0.00    +0.065 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -1.705  -0.163  -1.215  0.00  0.00    +0.122 C 
BRANCH  15  16
ATOM     16  O   LIG    1       -2.358  -0.300  -2.487  0.00  0.00    -0.392 OA
ATOM     17  H   LIG    1       -2.604  -1.236  -2.592  0.00  0.00    +0.210 HD
ENDBRANCH  15  16
BRANCH  15  18
ATOM     18  C   LIG    1       -2.744  -0.347  -0.107  0.00  0.00    +0.092 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.825   0.743  -0.147  0.00  0.00    +0.252 C 
BRANCH  19  21
ATOM     20  C   LIG    1       -5.874  -0.360   0.313  0.00  0.00    +0.197 C 
ATOM     21  O   LIG    1       -4.828   0.449   0.829  0.00  0.00    -0.354 OA
ENDBRANCH  19  21
BRANCH  19  22
ATOM     22  O   LIG    1       -3.195   1.987   0.176  0.00  0.00    -0.354 OA
ATOM     23  C   LIG    1       -4.080   3.086   0.020  0.00  0.00    +0.197 C 
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH  14  15
ENDBRANCH   1  14
TORSDOF 12