REMARK  Name = BDB036831
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.150   0.763   0.688  0.00  0.00    +0.265 C 
ATOM      2  N   LIG    1       -0.854   0.035   0.073  0.00  0.00    -0.299 N 
ATOM      3  H   LIG    1       -0.696  -0.953  -0.097  0.00  0.00    +0.150 HD
ATOM      4  O   LIG    1       -0.083   1.857   1.199  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.242   0.463   0.150  0.00  0.00    +0.160 C 
ATOM      6  C   LIG    1       -3.133  -0.728  -0.214  0.00  0.00    +0.240 C 
ATOM      7  O   LIG    1       -2.723  -1.889  -0.220  0.00  0.00    -0.273 OA
ATOM      8  N   LIG    1       -4.436  -0.432  -0.528  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1       -5.013  -1.223  -0.783  0.00  0.00    +0.158 HD
ATOM     10  C   LIG    1       -4.901   0.782  -0.966  0.00  0.00    +0.219 C 
ATOM     11  O   LIG    1       -5.989   0.876  -1.524  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -4.021   1.980  -0.697  0.00  0.00    +0.098 C 
ATOM     13  C   LIG    1       -2.547   1.617  -0.799  0.00  0.00    +0.041 C 
ENDBRANCH   2   5
BRANCH   1  19
ATOM     14  C   LIG    1        4.210  -2.259  -0.098  0.00  0.00    +0.065 C 
ATOM     15  C   LIG    1        3.234  -1.226   0.323  0.00  0.00    +0.037 A 
ATOM     16  N   LIG    1        3.531  -0.206   1.186  0.00  0.00    -0.271 N 
ATOM     17  C   LIG    1        4.798   0.054   1.829  0.00  0.00    +0.172 C 
ATOM     18  N   LIG    1        2.496   0.615   1.422  0.00  0.00    -0.167 NA
ATOM     19  C   LIG    1        1.480   0.120   0.692  0.00  0.00    +0.147 A 
ATOM     20  C   LIG    1        1.910  -1.039  -0.016  0.00  0.00    +0.057 A 
ENDBRANCH   1  19
TORSDOF 2