REMARK  Name = BDB003641
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.910  -0.669   0.196  0.00  0.00    +0.100 A 
ATOM      2  C   LIG    1       -2.728  -0.474   1.289  0.00  0.00    +0.152 A 
ATOM      3  C   LIG    1       -3.958   0.108   0.879  0.00  0.00    +0.061 A 
ATOM      4  C   LIG    1       -3.852   0.264  -0.509  0.00  0.00    +0.052 A 
ATOM      5  C   LIG    1       -4.874   0.814  -1.294  0.00  0.00    +0.027 A 
ATOM      6  C   LIG    1       -6.046   1.220  -0.649  0.00  0.00    +0.019 A 
ATOM      7  C   LIG    1       -6.192   1.082   0.732  0.00  0.00    +0.037 A 
ATOM      8 BR   LIG    1       -7.828   1.668   1.502  0.00  0.00    -0.049 Br
ATOM      9  C   LIG    1       -5.158   0.530   1.498  0.00  0.00    +0.068 A 
ATOM     10 CL   LIG    1       -5.240   0.318   3.198  0.00  0.00    -0.082 Cl
ATOM     11  N   LIG    1       -2.614  -0.208  -0.890  0.00  0.00    -0.350 N 
ATOM     12  H   LIG    1       -2.277  -0.207  -1.843  0.00  0.00    +0.166 HD
ENDROOT
BRANCH   1  14
ATOM     13  N   LIG    1       -0.008  -1.602   1.224  0.00  0.00    -0.285 NA
ATOM     14  C   LIG    1       -0.586  -1.226   0.134  0.00  0.00    +0.134 C 
BRANCH  13  15
ATOM     15  C   LIG    1        1.345  -2.145   1.013  0.00  0.00    +0.176 C 
BRANCH  15  19
ATOM     16  C   LIG    1        4.325   0.826  -0.005  0.00  0.00    +0.120 A 
ATOM     17  C   LIG    1        3.386   1.079   0.996  0.00  0.00    +0.046 A 
ATOM     18  C   LIG    1        2.422   0.124   1.328  0.00  0.00    +0.009 A 
ATOM     19  C   LIG    1        2.374  -1.100   0.651  0.00  0.00    -0.026 A 
ATOM     20  C   LIG    1        3.326  -1.355  -0.345  0.00  0.00    +0.009 A 
ATOM     21  C   LIG    1        4.293  -0.397  -0.674  0.00  0.00    +0.046 A 
BRANCH  16  23
ATOM     22  C   LIG    1        6.217   1.617  -1.208  0.00  0.00    +0.277 C 
ATOM     23  O   LIG    1        5.211   1.844  -0.229  0.00  0.00    -0.495 OA
ENDBRANCH  16  23
ENDBRANCH  15  19
ENDBRANCH  13  15
ENDBRANCH   1  14
BRANCH   2  24
ATOM     24  O   LIG    1       -2.359  -0.808   2.539  0.00  0.00    -0.504 OA
ATOM     25  H   LIG    1       -1.451  -1.180   2.516  0.00  0.00    +0.292 HD
ENDBRANCH   2  24
TORSDOF 5