REMARK  Name = BDB019547
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.282  -0.252   0.623  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1       -0.659  -1.601   0.579  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1       -1.761  -2.020  -0.179  0.00  0.00    +0.018 A 
ATOM      4  C   LIG    1       -2.490  -1.051  -0.887  0.00  0.00    +0.017 A 
ATOM      5  C   LIG    1       -2.143   0.312  -0.841  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1       -1.028   0.701  -0.082  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -2.148  -3.429  -0.236  0.00  0.00    +0.135 A 
ATOM      8  O   LIG    1       -1.278  -4.319   0.331  0.00  0.00    -0.463 OA
ATOM      9  C   LIG    1       -1.804  -5.560   0.178  0.00  0.00    +0.196 A 
ATOM     10  C   LIG    1       -3.005  -5.493  -0.485  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1       -3.228  -4.119  -0.754  0.00  0.00    +0.050 A 
ENDBRANCH   3   7
BRANCH   1  13
ATOM     12  O   LIG    1        1.221  -0.567   2.410  0.00  0.00    -0.270 OA
ATOM     13  C   LIG    1        0.897   0.123   1.451  0.00  0.00    +0.244 C 
ATOM     14  N   LIG    1        1.597   1.243   1.052  0.00  0.00    -0.307 N 
ATOM     15  H   LIG    1        1.420   1.635   0.139  0.00  0.00    +0.149 HD
BRANCH  14  16
ATOM     16  C   LIG    1        2.825   1.633   1.708  0.00  0.00    +0.140 C 
BRANCH  16  17
ATOM     17  C   LIG    1        4.023   1.159   0.924  0.00  0.00    -0.029 A 
ATOM     18  C   LIG    1        4.440  -0.179   1.014  0.00  0.00    +0.026 A 
ATOM     19  C   LIG    1        5.535  -0.638   0.274  0.00  0.00    +0.060 A 
ATOM     20 CL   LIG    1        5.982  -2.299   0.441  0.00  0.00    -0.082 Cl
ATOM     21  C   LIG    1        6.222   0.242  -0.568  0.00  0.00    +0.059 A 
ATOM     22 CL   LIG    1        7.581  -0.249  -1.514  0.00  0.00    -0.082 Cl
ATOM     23  C   LIG    1        5.809   1.574  -0.666  0.00  0.00    +0.022 A 
ATOM     24  C   LIG    1        4.714   2.030   0.073  0.00  0.00    +0.007 A 
ENDBRANCH  16  17
ENDBRANCH  14  16
ENDBRANCH   1  13
BRANCH   5  25
ATOM     25  C   LIG    1       -2.948   1.321  -1.626  0.00  0.00    +0.157 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -3.447   2.402  -0.793  0.00  0.00    -0.332 N 
ATOM     27  C   LIG    1       -4.397   2.291   0.182  0.00  0.00    +0.199 A 
ATOM     28  N   LIG    1       -4.661   3.457   0.727  0.00  0.00    -0.244 NA
ATOM     29  C   LIG    1       -3.855   4.354   0.075  0.00  0.00    +0.130 A 
ATOM     30  C   LIG    1       -3.094   3.721  -0.880  0.00  0.00    +0.107 A 
ENDBRANCH  25  26
ENDBRANCH   5  25
TORSDOF 6