REMARK  Name = BDB047884
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.776  -5.383  -0.400  0.00  0.00    +0.090 C 
ATOM      2  C   LIG    1       -1.577  -4.170  -0.144  0.00  0.00    +0.147 A 
ATOM      3  C   LIG    1       -1.293  -2.831   0.013  0.00  0.00    +0.106 A 
ATOM      4  C   LIG    1       -2.564  -2.237   0.278  0.00  0.00    +0.127 A 
ATOM      5  N   LIG    1       -3.532  -3.164   0.292  0.00  0.00    -0.077 NA
ATOM      6  O   LIG    1       -2.913  -4.366   0.015  0.00  0.00    -0.359 OA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -2.856  -0.828   0.511  0.00  0.00    +0.023 A 
ATOM      8  C   LIG    1       -2.663   0.149  -0.476  0.00  0.00    +0.051 A 
ATOM      9 CL   LIG    1       -2.168  -0.243  -2.089  0.00  0.00    -0.083 Cl
ATOM     10  C   LIG    1       -2.873   1.501  -0.181  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1       -3.277   1.899   1.102  0.00  0.00    -0.035 A 
ATOM     12  C   LIG    1       -3.492   0.919   2.080  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1       -3.289  -0.432   1.785  0.00  0.00    +0.012 A 
BRANCH  11  14
ATOM     14  C   LIG    1       -3.449   3.365   1.427  0.00  0.00    +0.155 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -2.145   4.110   1.600  0.00  0.00    +0.309 C 
ATOM     16  O   LIG    1       -1.012   3.711   1.391  0.00  0.00    -0.251 OA
BRANCH  15  17
ATOM     17  O   LIG    1       -2.347   5.378   2.020  0.00  0.00    -0.480 OA
ATOM     18  H   LIG    1       -1.443   5.753   2.083  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH  11  14
ENDBRANCH   4   7
BRANCH   3  19
ATOM     19  C   LIG    1       -0.017  -2.157  -0.035  0.00  0.00    +0.250 C 
ATOM     20  N   LIG    1        0.882  -2.639  -0.968  0.00  0.00    -0.308 N 
ATOM     21  H   LIG    1        0.505  -3.247  -1.683  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        0.224  -1.183   0.670  0.00  0.00    -0.270 OA
BRANCH  20  23
ATOM     23  C   LIG    1        2.018  -1.817  -1.351  0.00  0.00    +0.145 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.090  -1.660  -0.266  0.00  0.00    +0.248 C 
BRANCH  24  25
ATOM     25  O   LIG    1        4.107  -0.747  -0.686  0.00  0.00    -0.489 OA
BRANCH  25  26
ATOM     26  C   LIG    1        3.914   0.599  -0.508  0.00  0.00    +0.139 A 
ATOM     27  C   LIG    1        4.938   1.448  -0.967  0.00  0.00    +0.084 A 
ATOM     28 CL   LIG    1        6.364   0.811  -1.713  0.00  0.00    -0.080 Cl
ATOM     29  C   LIG    1        4.836   2.836  -0.841  0.00  0.00    +0.043 A 
ATOM     30  C   LIG    1        3.703   3.389  -0.254  0.00  0.00    +0.043 A 
ATOM     31 CL   LIG    1        3.567   5.097  -0.098  0.00  0.00    -0.083 Cl
ATOM     32  C   LIG    1        2.679   2.568   0.207  0.00  0.00    +0.023 A 
ATOM     33  C   LIG    1        2.786   1.178   0.083  0.00  0.00    +0.048 A 
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH   3  19
TORSDOF 9