REMARK  Name = BDB040586
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.103  -1.277   3.151  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.181  -0.301   2.462  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1        0.532   1.045   2.336  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -0.258   1.924   1.583  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1        0.289   3.567   1.524  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1       -1.424   1.486   0.920  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -1.780   0.130   1.085  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1       -3.205  -0.561   0.383  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1       -0.986  -0.746   1.837  0.00  0.00    +0.025 A 
BRANCH   6  10
ATOM     10  C   LIG    1       -2.244   2.452   0.067  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1       -2.499   1.945  -1.351  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1       -1.666   1.315  -2.001  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1       -3.697   2.303  -1.921  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1       -3.852   1.973  -2.864  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1       -4.595   3.235  -1.468  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1       -5.525   3.614  -2.174  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -4.320   3.832  -0.109  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1       -3.542   2.865   0.770  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1        1.698  -2.950   1.451  0.00  0.00    +0.226 C 
ATOM     20  N   LIG    1        2.026  -1.815   2.176  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        2.575  -1.124   1.669  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        0.825  -3.729   1.830  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1        4.004  -3.222   0.450  0.00  0.00    +0.029 C 
ATOM     24  C   LIG    1        2.497  -3.146   0.144  0.00  0.00    +0.101 C 
ATOM     25  C   LIG    1        2.082  -4.482  -0.505  0.00  0.00    +0.029 C 
BRANCH  24  26
ATOM     26  C   LIG    1        2.200  -1.961  -0.775  0.00  0.00    +0.143 A 
ATOM     27  N   LIG    1        2.655  -0.743  -0.388  0.00  0.00    -0.238 NA
ATOM     28  C   LIG    1        2.318   0.313  -1.168  0.00  0.00    +0.129 A 
ATOM     29  C   LIG    1        1.561   0.205  -2.311  0.00  0.00    +0.095 A 
ATOM     30  C   LIG    1        1.149  -1.067  -2.626  0.00  0.00    +0.129 A 
ATOM     31  N   LIG    1        1.458  -2.158  -1.884  0.00  0.00    -0.238 NA
BRANCH  29  32
ATOM     32  C   LIG    1        1.244   1.395  -3.103  0.00  0.00    +0.340 C 
ATOM     33  O   LIG    1        1.480   2.543  -2.775  0.00  0.00    -0.245 OA
BRANCH  32  34
ATOM     34  O   LIG    1        0.685   1.093  -4.287  0.00  0.00    -0.477 OA
ATOM     35  H   LIG    1        0.486   1.964  -4.691  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH  29  32
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH   1  20
TORSDOF 7