REMARK  Name = BDB053924
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.628   0.850  -0.437  0.00  0.00    +0.282 C 
ATOM      2  N   LIG    1       -0.445   0.215  -0.098  0.00  0.00    -0.304 N 
ATOM      3  H   LIG    1       -0.510  -0.674   0.376  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -1.656   2.048  -0.706  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -2.124  -2.486  -0.621  0.00  0.00    +0.070 C 
ATOM      6  C   LIG    1       -3.055  -1.346  -0.474  0.00  0.00    +0.089 A 
ATOM      7  C   LIG    1       -2.809   0.016  -0.417  0.00  0.00    +0.213 A 
ATOM      8  O   LIG    1       -4.033   0.637  -0.340  0.00  0.00    -0.430 OA
ATOM      9  C   LIG    1       -4.947  -0.377  -0.331  0.00  0.00    +0.228 A 
ATOM     10  N   LIG    1       -4.412  -1.580  -0.400  0.00  0.00    -0.213 NA
BRANCH   9  11
ATOM     11  C   LIG    1       -6.355   0.005  -0.246  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1       -7.343  -0.993  -0.211  0.00  0.00    +0.014 A 
ATOM     13  C   LIG    1       -8.698  -0.658  -0.129  0.00  0.00    +0.021 A 
ATOM     14  C   LIG    1       -9.077   0.681  -0.081  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1      -10.743   1.096   0.021  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1       -8.114   1.686  -0.115  0.00  0.00    +0.021 A 
ATOM     17  C   LIG    1       -6.758   1.349  -0.197  0.00  0.00    +0.014 A 
ENDBRANCH   9  11
ENDBRANCH   1   7
BRANCH   2  18
ATOM     18  C   LIG    1        0.803   0.965   0.052  0.00  0.00    +0.091 C 
ATOM     19  C   LIG    1        2.032   0.055  -0.169  0.00  0.00    +0.127 C 
ATOM     20  N   LIG    1        3.288   0.791   0.082  0.00  0.00    -0.328 N 
ATOM     21  C   LIG    1        3.375   1.390   1.422  0.00  0.00    +0.105 C 
ATOM     22  C   LIG    1        2.200   2.344   1.635  0.00  0.00    +0.021 C 
ATOM     23  C   LIG    1        0.865   1.632   1.433  0.00  0.00    +0.025 C 
BRANCH  20  24
ATOM     24  C   LIG    1        4.426   0.122  -0.404  0.00  0.00    +0.031 A 
ATOM     25  C   LIG    1        5.455  -0.356   0.419  0.00  0.00    +0.038 A 
ATOM     26  C   LIG    1        6.575  -1.014  -0.118  0.00  0.00    +0.061 A 
ATOM     27  C   LIG    1        6.683  -1.196  -1.499  0.00  0.00    +0.015 A 
ATOM     28  C   LIG    1        5.678  -0.720  -2.335  0.00  0.00    +0.003 A 
ATOM     29  C   LIG    1        4.568  -0.069  -1.790  0.00  0.00    +0.023 A 
BRANCH  26  30
ATOM     30  C   LIG    1        7.614  -1.498   0.822  0.00  0.00    +0.337 C 
ATOM     31  O   LIG    1        7.585  -1.395   2.034  0.00  0.00    -0.245 OA
BRANCH  30  32
ATOM     32  O   LIG    1        8.646  -2.095   0.199  0.00  0.00    -0.477 OA
ATOM     33  H   LIG    1        9.245  -2.354   0.930  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  26  30
ENDBRANCH  20  24
ENDBRANCH   2  18
TORSDOF 6