REMARK  Name = BDB064505
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.283  -0.424   2.713  0.00  0.00    +0.047 C 
ATOM      2  C   LIG    1       -2.533  -0.883   1.497  0.00  0.00    -0.008 A 
ATOM      3  C   LIG    1       -3.152  -1.018   0.243  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1       -2.441  -1.537  -0.853  0.00  0.00    -0.008 A 
ATOM      5  C   LIG    1       -3.103  -1.814  -2.171  0.00  0.00    +0.047 C 
ATOM      6  C   LIG    1       -1.068  -1.796  -0.712  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1       -0.413  -1.589   0.508  0.00  0.00    -0.033 A 
ATOM      8  C   LIG    1       -1.159  -1.146   1.608  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   3   9
ATOM      9  O   LIG    1       -4.485  -0.732   0.124  0.00  0.00    -0.475 OA
BRANCH   9  10
ATOM     10  C   LIG    1       -4.848   0.594  -0.332  0.00  0.00    +0.200 C 
ATOM     11  C   LIG    1       -5.842   1.139   0.706  0.00  0.00    +0.067 C 
ATOM     12  C   LIG    1       -3.700   1.603  -0.516  0.00  0.00    +0.067 C 
BRANCH  10  13
ATOM     13  C   LIG    1       -5.636   0.447  -1.647  0.00  0.00    +0.348 C 
ATOM     14  O   LIG    1       -6.037  -0.584  -2.166  0.00  0.00    -0.247 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -5.930   1.626  -2.241  0.00  0.00    -0.478 OA
ATOM     16  H   LIG    1       -6.443   1.360  -3.033  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  10  13
ENDBRANCH   9  10
ENDBRANCH   3   9
BRANCH   7  17
ATOM     17  C   LIG    1        1.067  -1.880   0.649  0.00  0.00    +0.119 C 
BRANCH  17  18
ATOM     18  N   LIG    1        1.841  -0.733   1.151  0.00  0.00    -0.295 NA
ATOM     19  C   LIG    1        3.227  -1.128   1.492  0.00  0.00    +0.103 C 
ATOM     20  C   LIG    1        4.144  -1.434   0.282  0.00  0.00    +0.122 C 
ATOM     21  N   LIG    1        4.162  -0.320  -0.690  0.00  0.00    -0.313 N 
ATOM     22  C   LIG    1        2.802   0.133  -1.062  0.00  0.00    +0.122 C 
ATOM     23  C   LIG    1        1.904   0.386   0.175  0.00  0.00    +0.103 C 
BRANCH  21  24
ATOM     24  C   LIG    1        5.058   0.715  -0.380  0.00  0.00    +0.121 A 
ATOM     25  N   LIG    1        4.607   1.983  -0.255  0.00  0.00    -0.239 NA
ATOM     26  C   LIG    1        5.498   2.964   0.031  0.00  0.00    +0.128 A 
ATOM     27  C   LIG    1        6.854   2.749   0.191  0.00  0.00    +0.036 A 
ATOM     28 BR   LIG    1        8.024   4.171   0.586  0.00  0.00    -0.049 Br
ATOM     29  C   LIG    1        7.329   1.458   0.042  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1        6.423   0.436  -0.251  0.00  0.00    +0.045 A 
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH   7  17
TORSDOF 7