REMARK  Name = BDB001629
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.641  -0.243  -0.223  0.00  0.00    +0.158 A 
ATOM      2  N   LIG    1       -0.766   1.084   0.165  0.00  0.00    -0.217 N 
ATOM      3  C   LIG    1       -1.778   1.552   0.995  0.00  0.00    +0.302 C 
ATOM      4  O   LIG    1       -2.281   0.835   1.863  0.00  0.00    -0.263 OA
ATOM      5  C   LIG    1        0.518   1.689   0.051  0.00  0.00    +0.344 A 
ATOM      6  O   LIG    1        0.862   2.799   0.423  0.00  0.00    -0.245 OA
ATOM      7  N   LIG    1        1.337   0.700  -0.549  0.00  0.00    -0.227 N 
ATOM      8  C   LIG    1        2.693   0.894  -0.734  0.00  0.00    +0.302 C 
ATOM      9  O   LIG    1        3.118   1.693  -1.570  0.00  0.00    -0.263 OA
ATOM     10  C   LIG    1        0.605  -0.475  -0.672  0.00  0.00    +0.060 A 
ATOM     11  C   LIG    1        1.168  -1.702  -1.303  0.00  0.00    +0.066 C 
ENDROOT
BRANCH   3  12
ATOM     12  C   LIG    1       -2.167   2.937   0.812  0.00  0.00    +0.192 A 
ATOM     13  O   LIG    1       -1.818   3.599  -0.335  0.00  0.00    -0.458 OA
ATOM     14  C   LIG    1       -2.324   4.855  -0.247  0.00  0.00    +0.196 A 
ATOM     15  C   LIG    1       -3.021   5.012   0.927  0.00  0.00    +0.042 A 
ATOM     16  C   LIG    1       -2.931   3.773   1.606  0.00  0.00    +0.055 A 
ENDBRANCH   3  12
BRANCH   8  17
ATOM     17  C   LIG    1        3.579   0.066   0.065  0.00  0.00    +0.192 A 
ATOM     18  O   LIG    1        3.076  -0.693   1.090  0.00  0.00    -0.458 OA
ATOM     19  C   LIG    1        4.123  -1.333   1.670  0.00  0.00    +0.196 A 
ATOM     20  C   LIG    1        5.299  -1.001   1.041  0.00  0.00    +0.042 A 
ATOM     21  C   LIG    1        4.952  -0.095   0.011  0.00  0.00    +0.055 A 
ENDBRANCH   8  17
BRANCH   1  22
ATOM     22  C   LIG    1       -1.783  -1.177  -0.211  0.00  0.00    +0.358 C 
ATOM     23  O   LIG    1       -2.911  -0.863  -0.556  0.00  0.00    -0.243 OA
BRANCH  22  24
ATOM     24  O   LIG    1       -1.378  -2.396   0.223  0.00  0.00    -0.460 OA
BRANCH  24  26
ATOM     25  C   LIG    1       -2.572  -4.109  -1.001  0.00  0.00    +0.048 C 
ATOM     26  C   LIG    1       -2.409  -3.389   0.325  0.00  0.00    +0.229 C 
ENDBRANCH  24  26
ENDBRANCH  22  24
ENDBRANCH   1  22
TORSDOF 5