REMARK  Name = BDB018226
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.425   1.078  -0.914  0.00  0.00    -0.264 N 
ATOM      2  N   LIG    1        0.096   2.280  -0.579  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1        1.337   1.987  -0.181  0.00  0.00    +0.143 A 
ATOM      4  C   LIG    1        1.626   0.607  -0.258  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1        0.465   0.047  -0.742  0.00  0.00    +0.117 A 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1        2.835  -0.084   0.089  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        3.687   0.383   1.024  0.00  0.00    +0.097 A 
ATOM      8  N   LIG    1        4.858  -0.276   1.372  0.00  0.00    -0.318 N 
ATOM      9  C   LIG    1        5.702   0.307   2.402  0.00  0.00    +0.152 C 
ATOM     10  C   LIG    1        5.238  -1.478   0.782  0.00  0.00    +0.251 A 
ATOM     11  O   LIG    1        6.254  -2.111   1.053  0.00  0.00    -0.268 OA
ATOM     12  C   LIG    1        4.315  -2.001  -0.256  0.00  0.00    +0.071 A 
ATOM     13  C   LIG    1        3.195  -1.335  -0.567  0.00  0.00    +0.015 A 
ENDBRANCH   4   6
BRANCH   1  14
ATOM     14  C   LIG    1       -1.800   0.951  -1.413  0.00  0.00    +0.137 C 
ATOM     15  C   LIG    1       -2.284   2.181  -2.192  0.00  0.00    +0.038 C 
BRANCH  14  17
ATOM     16  C   LIG    1       -3.393  -0.670  -0.240  0.00  0.00    +0.125 A 
ATOM     17  C   LIG    1       -2.743   0.580  -0.274  0.00  0.00    +0.018 A 
ATOM     18  C   LIG    1       -2.970   1.493   0.776  0.00  0.00    +0.009 A 
ATOM     19  C   LIG    1       -3.826   1.178   1.828  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1       -4.468  -0.054   1.850  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -4.252  -0.975   0.822  0.00  0.00    +0.046 A 
BRANCH  16  23
ATOM     22  C   LIG    1       -3.764  -2.789  -1.280  0.00  0.00    +0.277 C 
ATOM     23  O   LIG    1       -3.123  -1.519  -1.283  0.00  0.00    -0.495 OA
ENDBRANCH  16  23
ENDBRANCH  14  17
ENDBRANCH   1  14
TORSDOF 4