REMARK  Name = BDB049896
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.850  -0.135  -0.248  0.00  0.00    +0.088 C 
ENDROOT
BRANCH   1   4
ATOM      2  N   LIG    1        0.512   0.216  -0.839  0.00  0.00    -0.302 N 
ATOM      3  H   LIG    1        0.138   0.485  -1.748  0.00  0.00    +0.150 HD
ATOM      4  C   LIG    1       -0.384  -0.039   0.168  0.00  0.00    +0.218 C 
ATOM      5  O   LIG    1       -0.052  -0.151   1.344  0.00  0.00    -0.275 OA
BRANCH   2   6
ATOM      6  C   LIG    1        1.937   0.467  -0.619  0.00  0.00    +0.182 C 
BRANCH   6   7
ATOM      7  C   LIG    1        2.675  -0.687   0.092  0.00  0.00    +0.327 C 
ATOM      8  O   LIG    1        2.311  -1.859   0.081  0.00  0.00    -0.249 OA
BRANCH   7  10
ATOM      9  C   LIG    1        4.604  -1.292   1.275  0.00  0.00    +0.280 C 
ATOM     10  O   LIG    1        3.862  -0.265   0.617  0.00  0.00    -0.467 OA
ENDBRANCH   7  10
ENDBRANCH   6   7
BRANCH   6  11
ATOM     11  C   LIG    1        2.252   1.913  -0.182  0.00  0.00    +0.036 C 
BRANCH  11  12
ATOM     12  C   LIG    1        1.689   2.440   1.154  0.00  0.00    -0.015 C 
ATOM     13  C   LIG    1        2.313   1.775   2.380  0.00  0.00    +0.007 C 
ATOM     14  C   LIG    1        1.925   3.955   1.241  0.00  0.00    +0.007 C 
ENDBRANCH  11  12
ENDBRANCH   6  11
ENDBRANCH   2   6
ENDBRANCH   1   4
BRANCH   1  15
ATOM     15  C   LIG    1       -2.112  -1.168  -1.358  0.00  0.00    +0.048 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -2.200  -2.581  -0.827  0.00  0.00    -0.047 A 
ATOM     17  C   LIG    1       -1.037  -3.314  -0.555  0.00  0.00    +0.003 A 
ATOM     18  C   LIG    1       -1.120  -4.612  -0.050  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -2.364  -5.192   0.188  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -3.527  -4.472  -0.075  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -3.447  -3.172  -0.578  0.00  0.00    +0.003 A 
ENDBRANCH  15  16
ENDBRANCH   1  15
BRANCH   1  22
ATOM     22  C   LIG    1       -2.418   1.260  -0.553  0.00  0.00    +0.111 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.015   1.863  -1.888  0.00  0.00    +0.236 C 
ATOM     24  N   LIG    1       -2.692   2.989  -2.277  0.00  0.00    -0.197 N 
ATOM     25  H   LIG    1       -2.256   3.517  -3.029  0.00  0.00    +0.182 HD
ATOM     26  O   LIG    1       -1.143   1.383  -2.611  0.00  0.00    -0.274 OA
BRANCH  24  27
ATOM     27  O   LIG    1       -3.324   3.749  -1.272  0.00  0.00    -0.295 OA
ATOM     28  H   LIG    1       -4.269   3.580  -1.448  0.00  0.00    +0.241 HD
ENDBRANCH  24  27
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 11