REMARK  Name = BDB002647
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.763  -0.782   0.853  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1       -2.136  -1.252   0.652  0.00  0.00    -0.341 N 
ATOM      3  H   LIG    1       -2.477  -1.789   1.458  0.00  0.00    +0.146 HD
BRANCH   2   4
ATOM      4  C   LIG    1       -3.132  -0.415   0.127  0.00  0.00    +0.058 A 
ATOM      5  C   LIG    1       -4.505  -0.760   0.183  0.00  0.00    +0.148 A 
ATOM      6  C   LIG    1       -5.507   0.021  -0.421  0.00  0.00    +0.054 A 
ATOM      7  C   LIG    1       -5.144   1.163  -1.119  0.00  0.00    +0.043 A 
ATOM      8 CL   LIG    1       -6.351   2.134  -1.863  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1       -3.805   1.522  -1.223  0.00  0.00    +0.022 A 
ATOM     10  C   LIG    1       -2.815   0.733  -0.619  0.00  0.00    +0.026 A 
BRANCH   5  11
ATOM     11  N   LIG    1       -4.944  -1.959   0.898  0.00  0.00    +0.058 N 
ATOM     12  O   LIG    1       -5.922  -2.570   0.443  0.00  0.00    -0.126 OA
ATOM     13  O   LIG    1       -4.329  -2.278   1.928  0.00  0.00    -0.126 OA
ENDBRANCH   5  11
ENDBRANCH   2   4
ENDBRANCH   1   2
BRANCH   1  14
ATOM     14  C   LIG    1        0.124  -1.131  -0.353  0.00  0.00    +0.123 C 
BRANCH  14  16
ATOM     15  C   LIG    1        1.822   0.670  -0.346  0.00  0.00    +0.279 C 
ATOM     16  N   LIG    1        1.485  -0.660  -0.207  0.00  0.00    -0.307 N 
ATOM     17  H   LIG    1        2.239  -1.316  -0.033  0.00  0.00    +0.149 HD
ATOM     18  O   LIG    1        0.980   1.536  -0.570  0.00  0.00    -0.267 OA
BRANCH  15  22
ATOM     19  C   LIG    1        6.440  -0.528   0.434  0.00  0.00    +0.086 C 
ATOM     20  C   LIG    1        5.348   0.427   0.155  0.00  0.00    +0.103 A 
ATOM     21  O   LIG    1        4.095  -0.100   0.064  0.00  0.00    -0.455 OA
ATOM     22  C   LIG    1        3.236   0.938  -0.198  0.00  0.00    +0.189 A 
ATOM     23  C   LIG    1        3.950   2.118  -0.270  0.00  0.00    +0.055 A 
ATOM     24  C   LIG    1        5.308   1.789  -0.043  0.00  0.00    +0.045 A 
ENDBRANCH  15  22
ENDBRANCH  14  16
ENDBRANCH   1  14
TORSDOF 6