REMARK  Name = BDB044569
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.178   0.763  -0.762  0.00  0.00    +0.220 C 
ATOM      2  N   LIG    1       -0.841  -0.199  -0.041  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1       -2.069  -0.846  -0.540  0.00  0.00    +0.184 C 
ATOM      4  C   LIG    1       -2.186  -2.105   0.325  0.00  0.00    +0.035 C 
ATOM      5  C   LIG    1       -1.577  -1.667   1.652  0.00  0.00    +0.021 C 
ATOM      6  C   LIG    1       -0.406  -0.803   1.214  0.00  0.00    +0.109 C 
ATOM      7  O   LIG    1       -0.715   1.237  -1.767  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   9
ATOM      8  C   LIG    1        1.556   2.580  -0.886  0.00  0.00    +0.018 C 
ATOM      9  C   LIG    1        1.198   1.217  -0.286  0.00  0.00    +0.083 C 
BRANCH   9  10
ATOM     10  C   LIG    1        2.252   0.168  -0.667  0.00  0.00    +0.133 C 
BRANCH  10  11
ATOM     11  C   LIG    1        3.176  -0.114   0.484  0.00  0.00    +0.305 C 
ATOM     12  O   LIG    1        2.858  -0.249   1.653  0.00  0.00    -0.251 OA
BRANCH  11  13
ATOM     13  O   LIG    1        4.456  -0.256   0.096  0.00  0.00    -0.481 OA
ATOM     14  H   LIG    1        4.948  -0.451   0.922  0.00  0.00    +0.295 HD
ENDBRANCH  11  13
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   1   9
BRANCH   3  15
ATOM     15  C   LIG    1       -3.333   0.034  -0.447  0.00  0.00    +0.325 C 
ATOM     16  O   LIG    1       -4.426  -0.368  -0.068  0.00  0.00    -0.249 OA
BRANCH  15  17
ATOM     17  O   LIG    1       -3.179   1.290  -0.930  0.00  0.00    -0.479 OA
ATOM     18  H   LIG    1       -2.294   1.427  -1.349  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH   3  15
TORSDOF 6