REMARK  Name = BDB029346
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.700   0.172  -1.246  0.00  0.00    +0.228 A 
ATOM      2  C   LIG    1       -2.359  -0.851  -1.910  0.00  0.00    +0.098 A 
ATOM      3  C   LIG    1       -2.216  -2.151  -1.422  0.00  0.00    +0.028 A 
ATOM      4  C   LIG    1       -1.416  -2.391  -0.298  0.00  0.00    +0.005 A 
ATOM      5  C   LIG    1       -0.759  -1.296   0.306  0.00  0.00    +0.116 A 
ATOM      6  C   LIG    1        0.040  -1.575   1.423  0.00  0.00    +0.147 A 
ATOM      7  C   LIG    1        0.165  -2.861   1.958  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1       -0.491  -3.923   1.351  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1       -1.277  -3.690   0.224  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -0.890  -0.037  -0.176  0.00  0.00    -0.209 NA
ENDROOT
BRANCH   2  11
ATOM     11  C   LIG    1       -3.233  -0.589  -3.069  0.00  0.00    +0.247 C 
ATOM     12  O   LIG    1       -4.047   0.323  -3.090  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1       -3.101  -1.446  -4.131  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1       -2.292  -2.042  -4.240  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1       -3.613  -1.192  -4.967  0.00  0.00    +0.145 HD
ENDBRANCH   2  11
BRANCH   1  17
ATOM     16  C   LIG    1       -1.532   2.456  -0.781  0.00  0.00    +0.279 C 
ATOM     17  O   LIG    1       -1.781   1.450  -1.755  0.00  0.00    -0.479 OA
ENDBRANCH   1  17
BRANCH   6  18
ATOM     18  O   LIG    1        0.697  -0.561   2.083  0.00  0.00    -0.488 OA
BRANCH  18  19
ATOM     19  C   LIG    1        1.973  -0.304   1.481  0.00  0.00    +0.251 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.094   1.178   1.130  0.00  0.00    +0.111 C 
ATOM     21  N   LIG    1        3.412   1.562   0.694  0.00  0.00    -0.309 N 
ATOM     22  H   LIG    1        3.908   1.151  -0.088  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1        3.671   2.886   0.993  0.00  0.00    +0.213 C 
ATOM     24  O   LIG    1        4.603   3.532   0.548  0.00  0.00    -0.276 OA
ATOM     25  C   LIG    1        2.578   3.393   1.901  0.00  0.00    +0.098 C 
ATOM     26  C   LIG    1        1.849   2.115   2.308  0.00  0.00    +0.035 C 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   6  18
TORSDOF 5