REMARK  Name = BDB045622
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.420  -0.055  -1.097  0.00  0.00    +0.238 C 
ATOM      2  N   LIG    1        2.672   0.410  -0.743  0.00  0.00    -0.183 N 
ATOM      3  O   LIG    1        0.718   0.519  -1.926  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   2   4
ATOM      4  O   LIG    1        3.578  -0.469  -0.116  0.00  0.00    -0.292 OA
ATOM      5  H   LIG    1        3.759  -1.127  -0.818  0.00  0.00    +0.242 HD
ENDBRANCH   2   4
BRANCH   1   6
ATOM      6  C   LIG    1        0.984  -1.335  -0.396  0.00  0.00    +0.098 C 
BRANCH   6   7
ATOM      7  C   LIG    1       -0.497  -1.663  -0.590  0.00  0.00    +0.010 C 
BRANCH   7   8
ATOM      8  C   LIG    1       -1.409  -0.756   0.246  0.00  0.00    +0.016 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -2.886  -1.122   0.042  0.00  0.00    +0.084 C 
BRANCH   9  11
ATOM     10  C   LIG    1       -3.728  -0.380   2.207  0.00  0.00    +0.104 C 
ATOM     11  N   LIG    1       -3.806  -0.219   0.754  0.00  0.00    -0.308 NA
ATOM     12  C   LIG    1       -5.182  -0.451   0.305  0.00  0.00    +0.104 C 
ENDBRANCH   9  11
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   6   7
ENDBRANCH   1   6
BRANCH   2  13
ATOM     13  C   LIG    1        3.309   1.551  -1.402  0.00  0.00    +0.151 C 
BRANCH  13  14
ATOM     14  C   LIG    1        4.459   2.159  -0.615  0.00  0.00    +0.142 C 
BRANCH  14  15
ATOM     15  C   LIG    1        4.006   2.709   0.710  0.00  0.00    +0.306 C 
ATOM     16  O   LIG    1        4.054   3.895   1.001  0.00  0.00    -0.251 OA
BRANCH  15  17
ATOM     17  O   LIG    1        3.580   1.763   1.575  0.00  0.00    -0.481 OA
ATOM     18  H   LIG    1        3.551   0.867   1.164  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH   2  13
TORSDOF 10