REMARK  Name = BDB000597
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.099  -0.650   1.031  0.00  0.00    +0.227 C 
ATOM      2  N   LIG    1       -0.225  -0.986   0.853  0.00  0.00    -0.203 N 
ATOM      3  C   LIG    1       -1.292  -0.177   0.397  0.00  0.00    +0.055 A 
ATOM      4  C   LIG    1       -2.439  -0.939   0.183  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1       -3.644  -0.415  -0.249  0.00  0.00    +0.014 A 
ATOM      6  C   LIG    1       -3.696   0.959  -0.462  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -2.564   1.758  -0.228  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -2.114  -2.320   0.510  0.00  0.00    +0.250 C 
ATOM      9  O   LIG    1       -2.860  -3.269   0.449  0.00  0.00    -0.282 OA
ATOM     10  C   LIG    1       -1.356   1.195   0.212  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1       -0.633  -2.317   0.930  0.00  0.00    +0.298 C 
ATOM     12  O   LIG    1       -0.023  -3.328   1.208  0.00  0.00    -0.266 OA
ATOM     13  O   LIG    1        1.776  -1.101   1.957  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  14
ATOM     14  C   LIG    1        1.697   0.366   0.070  0.00  0.00    +0.096 C 
BRANCH  14  16
ATOM     15  C   LIG    1        3.773   1.085  -1.165  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1        3.188   0.110  -0.156  0.00  0.00    +0.006 C 
ENDBRANCH  14  16
ENDBRANCH   1  14
TORSDOF 2