REMARK  Name = BDB062927
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.527  -0.758   2.556  0.00  0.00    +0.164 C 
ATOM      2  N   LIG    1       -0.712  -1.505   2.753  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1       -1.626  -2.152   1.975  0.00  0.00    +0.227 C 
ATOM      4  O   LIG    1       -2.665  -2.584   2.483  0.00  0.00    -0.275 OA
ATOM      5  C   LIG    1       -0.831  -1.159   4.160  0.00  0.00    +0.111 C 
ATOM      6  C   LIG    1        0.650  -0.785   4.098  0.00  0.00    +0.051 C 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.346  -2.323   0.458  0.00  0.00    +0.072 C 
ATOM      8  C   LIG    1       -0.001  -3.067   0.252  0.00  0.00    +0.021 C 
ATOM      9  C   LIG    1       -0.171  -4.015  -0.941  0.00  0.00    +0.001 C 
ATOM     10  C   LIG    1       -1.638  -3.951  -1.341  0.00  0.00    +0.001 C 
ATOM     11  C   LIG    1       -2.342  -3.361  -0.129  0.00  0.00    +0.021 C 
BRANCH   7  12
ATOM     12  C   LIG    1       -1.509  -0.999  -0.310  0.00  0.00    -0.032 A 
ATOM     13  C   LIG    1       -0.720  -0.664  -1.426  0.00  0.00    +0.006 A 
ATOM     14  C   LIG    1       -0.909   0.537  -2.116  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -1.894   1.427  -1.702  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -2.119   2.908  -2.547  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -2.700   1.118  -0.614  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -2.517  -0.089   0.067  0.00  0.00    +0.006 A 
ENDBRANCH   7  12
ENDBRANCH   3   7
BRANCH   1  21
ATOM     19  N   LIG    1        1.328   0.859   0.877  0.00  0.00    -0.284 N 
ATOM     20  H   LIG    1        1.908   0.066   0.637  0.00  0.00    +0.155 HD
ATOM     21  C   LIG    1        0.421   0.676   1.912  0.00  0.00    +0.238 C 
ATOM     22  O   LIG    1       -0.359   1.540   2.321  0.00  0.00    -0.273 OA
BRANCH  19  26
ATOM     23  C   LIG    1        2.069   4.211  -1.591  0.00  0.00    +0.120 A 
ATOM     24  C   LIG    1        1.104   4.296  -0.587  0.00  0.00    +0.047 A 
ATOM     25  C   LIG    1        0.834   3.206   0.250  0.00  0.00    +0.027 A 
ATOM     26  C   LIG    1        1.534   2.013   0.094  0.00  0.00    +0.034 A 
ATOM     27  C   LIG    1        2.509   1.933  -0.909  0.00  0.00    +0.027 A 
ATOM     28  C   LIG    1        2.776   3.023  -1.746  0.00  0.00    +0.047 A 
BRANCH  23  30
ATOM     29  C   LIG    1        3.050   5.245  -3.494  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1        2.235   5.346  -2.333  0.00  0.00    -0.495 OA
ENDBRANCH  23  30
ENDBRANCH  19  26
ENDBRANCH   1  21
TORSDOF 5