REMARK  Name = BDB046692
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.912  -1.194  -1.135  0.00  0.00    +0.232 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1       -1.332   0.172  -1.129  0.00  0.00    -0.492 OA
BRANCH   2  10
ATOM      3  C   LIG    1       -7.638  -1.562   1.766  0.00  0.00    +0.068 C 
ATOM      4  C   LIG    1       -7.047  -0.571   0.753  0.00  0.00    +0.203 C 
ATOM      5  O   LIG    1       -5.654  -0.913   0.675  0.00  0.00    -0.474 OA
ATOM      6  C   LIG    1       -4.820   0.031   0.138  0.00  0.00    +0.129 A 
ATOM      7  C   LIG    1       -5.180   1.369  -0.038  0.00  0.00    -0.005 A 
ATOM      8  C   LIG    1       -4.249   2.253  -0.593  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1       -2.974   1.803  -0.941  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -2.611   0.468  -0.753  0.00  0.00    +0.124 A 
ATOM     11  C   LIG    1       -6.549   1.853   0.330  0.00  0.00    +0.043 C 
ATOM     12  C   LIG    1       -3.540  -0.415  -0.206  0.00  0.00    +0.091 A 
ATOM     13  C   LIG    1       -7.221   0.864   1.273  0.00  0.00    +0.064 C 
BRANCH   4  14
ATOM     14  C   LIG    1       -7.767  -0.796  -0.603  0.00  0.00    +0.349 C 
ATOM     15  O   LIG    1       -7.232  -1.217  -1.619  0.00  0.00    -0.246 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -9.092  -0.498  -0.596  0.00  0.00    -0.478 OA
ATOM     17  H   LIG    1       -9.462  -0.210   0.258  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH   4  14
ENDBRANCH   2  10
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1       -0.337  -1.604   0.221  0.00  0.00    +0.082 C 
BRANCH  18  19
ATOM     19  C   LIG    1        0.890  -0.779   0.605  0.00  0.00    +0.232 C 
BRANCH  19  20
ATOM     20  O   LIG    1        1.943  -1.083  -0.309  0.00  0.00    -0.490 OA
BRANCH  20  21
ATOM     21  C   LIG    1        3.128  -0.409  -0.174  0.00  0.00    +0.139 A 
ATOM     22  C   LIG    1        4.122  -0.681  -1.130  0.00  0.00    +0.086 A 
ATOM     23 CL   LIG    1        3.846  -1.805  -2.418  0.00  0.00    -0.080 Cl
ATOM     24  C   LIG    1        5.367  -0.048  -1.074  0.00  0.00    +0.070 A 
ATOM     25  C   LIG    1        5.633   0.854  -0.045  0.00  0.00    +0.130 A 
ATOM     26  C   LIG    1        4.650   1.149   0.898  0.00  0.00    +0.050 A 
ATOM     27  C   LIG    1        3.405   0.514   0.840  0.00  0.00    +0.051 A 
BRANCH  25  28
ATOM     28  O   LIG    1        6.820   1.544   0.060  0.00  0.00    -0.456 OA
BRANCH  28  29
ATOM     29  C   LIG    1        7.983   0.832  -0.123  0.00  0.00    +0.128 A 
ATOM     30  C   LIG    1        8.940   1.383  -0.974  0.00  0.00    +0.046 A 
ATOM     31  C   LIG    1       10.153   0.724  -1.176  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       10.412  -0.477  -0.514  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        9.463  -1.015   0.356  0.00  0.00    +0.004 A 
ATOM     34  C   LIG    1        8.249  -0.358   0.560  0.00  0.00    +0.046 A 
ENDBRANCH  28  29
ENDBRANCH  25  28
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 10