REMARK  Name = BDB036843
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.975   1.324   1.174  0.00  0.00    +0.133 C 
ATOM      2  N   LIG    1       -2.042  -0.061   0.711  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1       -0.911  -0.810   0.370  0.00  0.00    +0.247 C 
ATOM      4  O   LIG    1       -0.962  -1.842  -0.296  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -3.339  -0.575   0.243  0.00  0.00    +0.163 C 
ATOM      6  C   LIG    1       -3.741   0.007  -1.126  0.00  0.00    +0.240 C 
ATOM      7  O   LIG    1       -3.004   0.677  -1.847  0.00  0.00    -0.273 OA
ATOM      8  N   LIG    1       -5.035  -0.256  -1.515  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1       -5.295   0.146  -2.406  0.00  0.00    +0.158 HD
ATOM     10  C   LIG    1       -6.089  -0.498  -0.671  0.00  0.00    +0.219 C 
ATOM     11  O   LIG    1       -7.248  -0.333  -1.040  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -5.746  -0.992   0.716  0.00  0.00    +0.098 C 
ATOM     13  C   LIG    1       -4.477  -0.332   1.235  0.00  0.00    +0.041 C 
ENDBRANCH   2   5
BRANCH   3  14
ATOM     14  C   LIG    1        0.415  -0.376   0.860  0.00  0.00    +0.039 A 
ATOM     15  C   LIG    1        1.440  -0.164  -0.072  0.00  0.00    +0.036 A 
ATOM     16  C   LIG    1        2.725   0.232   0.328  0.00  0.00    +0.030 A 
ATOM     17  C   LIG    1        2.927   0.392   1.710  0.00  0.00    +0.023 A 
ATOM     18  C   LIG    1        1.914   0.160   2.651  0.00  0.00    +0.003 A 
ATOM     19  C   LIG    1        0.651  -0.234   2.226  0.00  0.00    +0.013 A 
BRANCH  16  20
ATOM     20  N   LIG    1        3.731   0.459  -0.582  0.00  0.00    -0.330 N 
ATOM     21  C   LIG    1        5.131   0.680  -0.225  0.00  0.00    +0.105 C 
ATOM     22  C   LIG    1        5.885   0.489  -1.539  0.00  0.00    +0.020 C 
ATOM     23  C   LIG    1        4.873   0.922  -2.585  0.00  0.00    +0.020 C 
ATOM     24  C   LIG    1        3.558   0.381  -2.032  0.00  0.00    +0.105 C 
ENDBRANCH  16  20
ENDBRANCH   3  14
TORSDOF 3