REMARK  Name = BDB049899
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.101   0.306  -0.594  0.00  0.00    +0.084 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.739  -0.001   0.767  0.00  0.00    +0.217 C 
ATOM      3  N   LIG    1        1.816  -0.867   0.703  0.00  0.00    -0.302 N 
ATOM      4  H   LIG    1        2.334  -0.850  -0.168  0.00  0.00    +0.150 HD
ATOM      5  O   LIG    1        0.378   0.514   1.820  0.00  0.00    -0.275 OA
BRANCH   3   6
ATOM      6  C   LIG    1        2.632  -1.091   1.899  0.00  0.00    +0.179 C 
ATOM      7  C   LIG    1        3.273  -2.469   1.849  0.00  0.00    +0.040 C 
BRANCH   6   8
ATOM      8  C   LIG    1        3.725  -0.020   1.951  0.00  0.00    +0.327 C 
ATOM      9  O   LIG    1        4.182   0.544   0.961  0.00  0.00    -0.249 OA
BRANCH   8  10
ATOM     10  O   LIG    1        4.155   0.168   3.230  0.00  0.00    -0.467 OA
ATOM     11  C   LIG    1        5.169   1.163   3.362  0.00  0.00    +0.280 C 
ENDBRANCH   8  10
ENDBRANCH   6   8
ENDBRANCH   3   6
ENDBRANCH   1   2
BRANCH   1  12
ATOM     12  C   LIG    1       -1.040   1.336  -0.438  0.00  0.00    +0.013 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -1.660   1.837  -1.749  0.00  0.00    +0.001 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -2.919   1.101  -2.225  0.00  0.00    -0.000 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -4.571   2.490  -0.856  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1       -4.107   1.100  -1.259  0.00  0.00    -0.003 C 
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   1  12
BRANCH   1  17
ATOM     17  C   LIG    1       -0.270  -0.976  -1.353  0.00  0.00    +0.110 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.327  -1.837  -0.684  0.00  0.00    +0.236 C 
ATOM     19  N   LIG    1       -1.657  -3.000  -1.331  0.00  0.00    -0.197 N 
ATOM     20  H   LIG    1       -2.522  -3.430  -1.014  0.00  0.00    +0.182 HD
ATOM     21  O   LIG    1       -1.850  -1.571   0.394  0.00  0.00    -0.274 OA
BRANCH  19  22
ATOM     22  O   LIG    1       -1.371  -3.098  -2.707  0.00  0.00    -0.295 OA
ATOM     23  H   LIG    1       -0.657  -3.764  -2.719  0.00  0.00    +0.241 HD
ENDBRANCH  19  22
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 11