REMARK  Name = BDB046710
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.724   0.810   0.992  0.00  0.00    +0.232 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1       -2.085   1.247   0.989  0.00  0.00    -0.492 OA
BRANCH   2  10
ATOM      3  C   LIG    1       -8.982   0.450  -0.041  0.00  0.00    +0.068 C 
ATOM      4  C   LIG    1       -7.658  -0.053  -0.631  0.00  0.00    +0.203 C 
ATOM      5  O   LIG    1       -6.627   0.598   0.127  0.00  0.00    -0.474 OA
ATOM      6  C   LIG    1       -5.375   0.051   0.040  0.00  0.00    +0.129 A 
ATOM      7  C   LIG    1       -5.120  -1.225  -0.467  0.00  0.00    -0.005 A 
ATOM      8  C   LIG    1       -3.798  -1.683  -0.517  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1       -2.750  -0.889  -0.040  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -3.013   0.375   0.487  0.00  0.00    +0.124 A 
ATOM     11  C   LIG    1       -6.234  -2.088  -0.980  0.00  0.00    +0.043 C 
ATOM     12  C   LIG    1       -4.330   0.838   0.524  0.00  0.00    +0.091 A 
ATOM     13  C   LIG    1       -7.575  -1.578  -0.473  0.00  0.00    +0.064 C 
BRANCH   4  14
ATOM     14  C   LIG    1       -7.629   0.388  -2.107  0.00  0.00    +0.349 C 
ATOM     15  O   LIG    1       -6.978   1.295  -2.601  0.00  0.00    -0.246 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -8.464  -0.324  -2.897  0.00  0.00    -0.478 OA
ATOM     17  H   LIG    1       -8.342   0.088  -3.780  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        0.122   1.929   1.594  0.00  0.00    +0.082 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.580   1.517   1.756  0.00  0.00    +0.232 C 
BRANCH  19  20
ATOM     20  O   LIG    1        2.119   1.202   0.466  0.00  0.00    -0.490 OA
BRANCH  20  21
ATOM     21  C   LIG    1        3.323   0.559   0.591  0.00  0.00    +0.139 A 
ATOM     22  C   LIG    1        3.409  -0.832   0.462  0.00  0.00    +0.086 A 
ATOM     23 CL   LIG    1        2.002  -1.798   0.203  0.00  0.00    -0.080 Cl
ATOM     24  C   LIG    1        4.648  -1.464   0.554  0.00  0.00    +0.070 A 
ATOM     25  C   LIG    1        5.801  -0.700   0.744  0.00  0.00    +0.130 A 
ATOM     26  C   LIG    1        5.717   0.690   0.876  0.00  0.00    +0.050 A 
ATOM     27  C   LIG    1        4.476   1.322   0.783  0.00  0.00    +0.051 A 
BRANCH  25  28
ATOM     28  O   LIG    1        6.989  -1.387   0.861  0.00  0.00    -0.456 OA
BRANCH  28  29
ATOM     29  C   LIG    1        8.070  -0.899   0.162  0.00  0.00    +0.128 A 
ATOM     30  C   LIG    1        9.281  -0.811   0.848  0.00  0.00    +0.046 A 
ATOM     31  C   LIG    1       10.422  -0.355   0.188  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       10.354  -0.004  -1.161  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        9.147  -0.116  -1.853  0.00  0.00    +0.004 A 
ATOM     34  C   LIG    1        8.004  -0.571  -1.195  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