REMARK  Name = BDB054733
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.034   0.314   1.389  0.00  0.00    +0.232 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1       -1.258  -0.392   1.184  0.00  0.00    -0.492 OA
BRANCH   2   9
ATOM      3  C   LIG    1       -7.124  -0.202   0.372  0.00  0.00    +0.281 C 
ATOM      4  O   LIG    1       -5.886  -0.786   0.779  0.00  0.00    -0.477 OA
ATOM      5  C   LIG    1       -4.840   0.085   0.923  0.00  0.00    +0.128 A 
ATOM      6  C   LIG    1       -4.994   1.468   1.031  0.00  0.00    -0.005 A 
ATOM      7  C   LIG    1       -3.852   2.266   1.169  0.00  0.00    +0.011 A 
ATOM      8  C   LIG    1       -2.579   1.689   1.225  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -2.432   0.305   1.143  0.00  0.00    +0.124 A 
ATOM     10  C   LIG    1       -6.351   2.103   0.976  0.00  0.00    +0.043 C 
ATOM     11  C   LIG    1       -3.571  -0.490   0.993  0.00  0.00    +0.091 A 
ATOM     12  C   LIG    1       -7.443   1.059   1.173  0.00  0.00    +0.061 C 
BRANCH   3  14
ATOM     13  O   LIG    1       -7.785   0.952  -1.702  0.00  0.00    -0.247 OA
ATOM     14  C   LIG    1       -7.226   0.022  -1.140  0.00  0.00    +0.346 C 
BRANCH  14  15
ATOM     15  O   LIG    1       -6.670  -0.968  -1.869  0.00  0.00    -0.478 OA
ATOM     16  H   LIG    1       -6.802  -0.694  -2.800  0.00  0.00    +0.295 HD
ENDBRANCH  14  15
ENDBRANCH   3  14
ENDBRANCH   2   9
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1        0.546   0.821   0.067  0.00  0.00    +0.082 C 
BRANCH  17  18
ATOM     18  C   LIG    1        0.898  -0.320  -0.888  0.00  0.00    +0.232 C 
BRANCH  18  19
ATOM     19  O   LIG    1        1.919  -1.156  -0.344  0.00  0.00    -0.490 OA
BRANCH  19  20
ATOM     20  C   LIG    1        3.236  -0.855  -0.557  0.00  0.00    +0.139 A 
ATOM     21  C   LIG    1        4.180  -1.774  -0.068  0.00  0.00    +0.086 A 
ATOM     22 CL   LIG    1        3.685  -3.213   0.758  0.00  0.00    -0.080 Cl
ATOM     23  C   LIG    1        5.556  -1.560  -0.229  0.00  0.00    +0.069 A 
ATOM     24  C   LIG    1        6.008  -0.418  -0.881  0.00  0.00    +0.123 A 
ATOM     25  C   LIG    1        5.077   0.502  -1.365  0.00  0.00    +0.049 A 
ATOM     26  C   LIG    1        3.702   0.290  -1.205  0.00  0.00    +0.051 A 
BRANCH  24  27
ATOM     27  O   LIG    1        7.312  -0.080  -1.109  0.00  0.00    -0.483 OA
BRANCH  27  28
ATOM     28  C   LIG    1        8.318  -0.991  -0.649  0.00  0.00    +0.342 C 
BRANCH  28  29
ATOM     29  C   LIG    1        9.706  -0.469  -0.989  0.00  0.00    +0.424 C 
ATOM     30  F   LIG    1       10.652  -1.335  -0.552  0.00  0.00    -0.167 F 
ATOM     31  F   LIG    1        9.877  -0.327  -2.322  0.00  0.00    -0.167 F 
ATOM     32  F   LIG    1        9.951   0.724  -0.404  0.00  0.00    -0.167 F 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  24  27
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 11