REMARK  Name = BDB053329
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.582   2.662   1.882  0.00  0.00    +0.232 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1       -0.910   1.682   0.897  0.00  0.00    -0.492 OA
BRANCH   2   6
ATOM      3  C   LIG    1       -4.890   0.680   0.090  0.00  0.00    -0.046 A 
ATOM      4  C   LIG    1       -3.816   0.112  -0.604  0.00  0.00    +0.007 A 
ATOM      5  C   LIG    1       -2.503   0.478  -0.297  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -2.237   1.418   0.700  0.00  0.00    +0.121 A 
ATOM      7  C   LIG    1       -3.302   1.994   1.390  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1       -4.618   1.629   1.084  0.00  0.00    +0.007 A 
BRANCH   3   9
ATOM      9  C   LIG    1       -6.317   0.286  -0.230  0.00  0.00    +0.053 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -6.876  -0.962   0.507  0.00  0.00    +0.068 C 
ATOM     11  C   LIG    1       -6.648  -0.842   2.032  0.00  0.00    +0.023 C 
BRANCH  10  13
ATOM     12  C   LIG    1       -8.897  -1.085  -1.154  0.00  0.00    +0.005 C 
ATOM     13  C   LIG    1       -8.412  -1.095   0.292  0.00  0.00    +0.015 C 
ENDBRANCH  10  13
BRANCH  10  14
ATOM     14  C   LIG    1       -6.215  -2.257   0.043  0.00  0.00    +0.311 C 
ATOM     15  O   LIG    1       -5.959  -3.230   0.735  0.00  0.00    -0.250 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -5.974  -2.316  -1.281  0.00  0.00    -0.480 OA
ATOM     17  H   LIG    1       -5.598  -3.213  -1.404  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  10  14
ENDBRANCH   9  10
ENDBRANCH   3   9
ENDBRANCH   2   6
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1        0.934   2.810   1.927  0.00  0.00    +0.082 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.496   3.323   0.603  0.00  0.00    +0.232 C 
BRANCH  19  20
ATOM     20  O   LIG    1        2.913   3.476   0.694  0.00  0.00    -0.490 OA
BRANCH  20  21
ATOM     21  C   LIG    1        3.723   2.436   0.320  0.00  0.00    +0.139 A 
ATOM     22  C   LIG    1        5.098   2.705   0.239  0.00  0.00    +0.083 A 
ATOM     23 CL   LIG    1        5.730   4.279   0.585  0.00  0.00    -0.080 Cl
ATOM     24  C   LIG    1        6.006   1.704  -0.128  0.00  0.00    +0.027 A 
ATOM     25  C   LIG    1        5.562   0.408  -0.422  0.00  0.00    -0.043 A 
ATOM     26  C   LIG    1        4.191   0.140  -0.327  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1        3.282   1.141   0.039  0.00  0.00    +0.047 A 
BRANCH  25  28
ATOM     28  C   LIG    1        6.564  -0.665  -0.811  0.00  0.00    +0.019 C 
ATOM     29  C   LIG    1        6.220  -1.347  -2.143  0.00  0.00    +0.008 C 
ATOM     30  C   LIG    1        7.333  -2.298  -2.594  0.00  0.00    +0.001 C 
ATOM     31  C   LIG    1        8.106  -2.929  -1.434  0.00  0.00    +0.000 C 
ATOM     32  C   LIG    1        7.249  -3.061  -0.184  0.00  0.00    +0.001 C 
ATOM     33  C   LIG    1        6.746  -1.703   0.315  0.00  0.00    +0.008 C 
ENDBRANCH  25  28
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 12