REMARK  Name = BDB047513
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.185  -2.204  -0.665  0.00  0.00    -0.492 OA
ENDROOT
BRANCH   1   6
ATOM      2  C   LIG    1       -4.862   0.307  -0.821  0.00  0.00    +0.033 C 
ATOM      3  C   LIG    1       -3.439  -0.173  -0.716  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -3.320  -1.503  -1.127  0.00  0.00    -0.040 A 
ATOM      5  C   LIG    1       -2.098  -2.157  -1.089  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1       -0.965  -1.462  -0.653  0.00  0.00    +0.121 A 
ATOM      7  C   LIG    1       -1.083  -0.120  -0.263  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1       -4.638  -2.071  -1.543  0.00  0.00    +0.036 C 
ATOM      9  C   LIG    1       -2.323   0.531  -0.295  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1       -5.474  -0.796  -1.724  0.00  0.00    +0.013 C 
BRANCH   2  11
ATOM     11  C   LIG    1       -5.626   0.511   0.506  0.00  0.00    +0.105 C 
BRANCH  11  13
ATOM     12  C   LIG    1       -6.120   2.178   2.373  0.00  0.00    +0.004 C 
ATOM     13  C   LIG    1       -5.159   1.773   1.261  0.00  0.00    +0.012 C 
ENDBRANCH  11  13
BRANCH  11  14
ATOM     14  C   LIG    1       -5.612  -0.730   1.375  0.00  0.00    +0.308 C 
ATOM     15  O   LIG    1       -6.404  -1.657   1.290  0.00  0.00    -0.251 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -4.608  -0.780   2.267  0.00  0.00    -0.480 OA
ATOM     17  H   LIG    1       -4.699  -1.661   2.686  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  11  14
ENDBRANCH   2  11
ENDBRANCH   1   6
BRANCH   1  18
ATOM     18  C   LIG    1        1.402  -1.596  -0.225  0.00  0.00    +0.235 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.086  -0.857  -1.373  0.00  0.00    +0.100 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.285  -0.109  -0.922  0.00  0.00    +0.086 A 
ATOM     21  C   LIG    1        3.503   1.251  -0.869  0.00  0.00    +0.126 A 
ATOM     22  C   LIG    1        2.712   2.446  -1.212  0.00  0.00    +0.088 C 
ATOM     23  O   LIG    1        4.764   1.455  -0.384  0.00  0.00    -0.440 OA
ATOM     24  C   LIG    1        5.253   0.193  -0.164  0.00  0.00    +0.228 A 
ATOM     25  N   LIG    1        4.404  -0.770  -0.468  0.00  0.00    -0.214 NA
BRANCH  24  26
ATOM     26  C   LIG    1        6.610   0.092   0.364  0.00  0.00    +0.038 A 
ATOM     27  C   LIG    1        7.386   1.228   0.641  0.00  0.00    +0.034 A 
ATOM     28  C   LIG    1        8.685   1.102   1.148  0.00  0.00    +0.060 A 
ATOM     29 CL   LIG    1        9.568   2.555   1.460  0.00  0.00    -0.082 Cl
ATOM     30  C   LIG    1        9.225  -0.166   1.385  0.00  0.00    +0.059 A 
ATOM     31 CL   LIG    1       10.819  -0.396   2.010  0.00  0.00    -0.082 Cl
ATOM     32  C   LIG    1        8.462  -1.304   1.113  0.00  0.00    +0.022 A 
ATOM     33  C   LIG    1        7.165  -1.173   0.607  0.00  0.00    +0.015 A 
ENDBRANCH  24  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 9