REMARK  Name = BDB048749
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.253   1.136  -2.257  0.00  0.00    +0.235 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.736   1.200  -2.628  0.00  0.00    +0.100 C 
BRANCH   2   5
ATOM      3  C   LIG    1       -2.214   3.531  -0.225  0.00  0.00    +0.088 C 
ATOM      4  C   LIG    1       -2.812   2.212  -0.489  0.00  0.00    +0.126 A 
ATOM      5  C   LIG    1       -2.642   1.233  -1.447  0.00  0.00    +0.086 A 
ATOM      6  N   LIG    1       -3.509   0.193  -1.192  0.00  0.00    -0.214 NA
ATOM      7  C   LIG    1       -4.143   0.554  -0.093  0.00  0.00    +0.228 A 
ATOM      8  O   LIG    1       -3.767   1.781   0.388  0.00  0.00    -0.440 OA
BRANCH   7   9
ATOM      9  C   LIG    1       -5.170  -0.164   0.656  0.00  0.00    +0.038 A 
ATOM     10  C   LIG    1       -5.760   0.375   1.809  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1       -6.740  -0.342   2.498  0.00  0.00    +0.042 A 
ATOM     12 CL   LIG    1       -7.454   0.334   3.911  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -7.146  -1.598   2.054  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -6.568  -2.145   0.911  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -5.587  -1.431   0.218  0.00  0.00    +0.013 A 
ENDBRANCH   7   9
ENDBRANCH   2   5
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  O   LIG    1        0.045  -0.153  -1.720  0.00  0.00    -0.492 OA
BRANCH  16  17
ATOM     17  C   LIG    1        1.328  -0.372  -1.294  0.00  0.00    +0.121 A 
ATOM     18  C   LIG    1        2.392   0.526  -1.407  0.00  0.00    +0.049 A 
ATOM     19  C   LIG    1        3.637   0.143  -0.926  0.00  0.00    -0.040 A 
ATOM     20  C   LIG    1        4.891   0.960  -0.906  0.00  0.00    +0.036 C 
ATOM     21  C   LIG    1        5.955  -0.099  -0.578  0.00  0.00    +0.013 C 
ATOM     22  C   LIG    1        5.252  -1.276   0.133  0.00  0.00    +0.030 C 
ATOM     23  C   LIG    1        3.832  -1.106  -0.329  0.00  0.00    -0.040 A 
ATOM     24  C   LIG    1        2.786  -2.004  -0.211  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1        1.532  -1.629  -0.701  0.00  0.00    +0.046 A 
BRANCH  22  26
ATOM     26  C   LIG    1        5.422  -1.312   1.650  0.00  0.00    +0.128 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.882  -0.106   2.366  0.00  0.00    +0.305 C 
ATOM     28  O   LIG    1        5.367   1.014   2.362  0.00  0.00    -0.251 OA
BRANCH  27  29
ATOM     29  O   LIG    1        3.760  -0.367   3.061  0.00  0.00    -0.481 OA
ATOM     30  H   LIG    1        3.497   0.498   3.437  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  22  26
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 8