REMARK  Name = BDB047510
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.037   1.349   2.521  0.00  0.00    -0.492 OA
ENDROOT
BRANCH   1   6
ATOM      2  C   LIG    1       -4.227  -1.466   0.113  0.00  0.00    +0.033 C 
ATOM      3  C   LIG    1       -3.203  -0.617   0.823  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -1.917  -0.909   0.351  0.00  0.00    -0.040 A 
ATOM      5  C   LIG    1       -0.789  -0.295   0.879  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1       -0.957   0.643   1.899  0.00  0.00    +0.121 A 
ATOM      7  C   LIG    1       -2.249   0.934   2.371  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1       -1.960  -1.962  -0.714  0.00  0.00    +0.036 C 
ATOM      9  C   LIG    1       -3.379   0.300   1.844  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1       -3.430  -1.881  -1.147  0.00  0.00    +0.013 C 
BRANCH   2  11
ATOM     11  C   LIG    1       -5.594  -0.806  -0.150  0.00  0.00    +0.105 C 
BRANCH  11  13
ATOM     12  C   LIG    1       -6.860   1.194  -1.084  0.00  0.00    +0.004 C 
ATOM     13  C   LIG    1       -5.561   0.396  -1.115  0.00  0.00    +0.012 C 
ENDBRANCH  11  13
BRANCH  11  14
ATOM     14  C   LIG    1       -6.533  -1.884  -0.665  0.00  0.00    +0.308 C 
ATOM     15  O   LIG    1       -6.691  -2.166  -1.843  0.00  0.00    -0.251 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -7.178  -2.549   0.322  0.00  0.00    -0.480 OA
ATOM     17  H   LIG    1       -6.964  -2.247   1.224  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        1.394   1.071   2.169  0.00  0.00    +0.235 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.828   1.905   0.965  0.00  0.00    +0.100 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.243   1.654   0.598  0.00  0.00    +0.086 A 
ATOM     21  C   LIG    1        4.358   2.440   0.794  0.00  0.00    +0.126 A 
ATOM     22  C   LIG    1        4.609   3.760   1.397  0.00  0.00    +0.088 C 
ATOM     23  O   LIG    1        5.434   1.776   0.277  0.00  0.00    -0.440 OA
ATOM     24  C   LIG    1        4.912   0.606  -0.209  0.00  0.00    +0.228 A 
ATOM     25  N   LIG    1        3.609   0.487  -0.036  0.00  0.00    -0.214 NA
BRANCH  24  26
ATOM     26  C   LIG    1        5.847  -0.326  -0.833  0.00  0.00    +0.038 A 
ATOM     27  C   LIG    1        7.219  -0.048  -0.930  0.00  0.00    +0.034 A 
ATOM     28  C   LIG    1        8.094  -0.960  -1.534  0.00  0.00    +0.060 A 
ATOM     29 CL   LIG    1        9.768  -0.535  -1.609  0.00  0.00    -0.082 Cl
ATOM     30  C   LIG    1        7.604  -2.164  -2.050  0.00  0.00    +0.059 A 
ATOM     31 CL   LIG    1        8.624  -3.334  -2.807  0.00  0.00    -0.082 Cl
ATOM     32  C   LIG    1        6.241  -2.451  -1.959  0.00  0.00    +0.022 A 
ATOM     33  C   LIG    1        5.371  -1.538  -1.355  0.00  0.00    +0.015 A 
ENDBRANCH  24  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 9