REMARK  Name = BDB064504
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.191  -0.096   2.276  0.00  0.00    +0.047 C 
ATOM      2  C   LIG    1       -2.438  -0.076   0.978  0.00  0.00    -0.008 A 
ATOM      3  C   LIG    1       -2.953   0.534  -0.177  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1       -2.169   0.641  -1.339  0.00  0.00    -0.008 A 
ATOM      5  C   LIG    1       -2.652   1.371  -2.559  0.00  0.00    +0.047 C 
ATOM      6  C   LIG    1       -0.913   0.015  -1.375  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1       -0.409  -0.659  -0.256  0.00  0.00    -0.033 A 
ATOM      8  C   LIG    1       -1.179  -0.693   0.914  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   3   9
ATOM      9  O   LIG    1       -4.187   1.124  -0.154  0.00  0.00    -0.475 OA
BRANCH   9  10
ATOM     10  C   LIG    1       -5.335   0.293  -0.450  0.00  0.00    +0.200 C 
ATOM     11  C   LIG    1       -6.114   1.031  -1.551  0.00  0.00    +0.067 C 
ATOM     12  C   LIG    1       -5.047  -1.147  -0.913  0.00  0.00    +0.067 C 
BRANCH  10  13
ATOM     13  C   LIG    1       -6.252   0.280   0.788  0.00  0.00    +0.348 C 
ATOM     14  O   LIG    1       -6.161   0.971   1.791  0.00  0.00    -0.247 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -7.289  -0.582   0.689  0.00  0.00    -0.478 OA
ATOM     16  H   LIG    1       -7.774  -0.450   1.531  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        0.943  -1.341  -0.310  0.00  0.00    +0.119 C 
BRANCH  17  18
ATOM     18  N   LIG    1        1.867  -0.898   0.746  0.00  0.00    -0.295 NA
ATOM     19  C   LIG    1        3.080  -1.747   0.790  0.00  0.00    +0.103 C 
ATOM     20  C   LIG    1        4.067  -1.550  -0.389  0.00  0.00    +0.122 C 
ATOM     21  N   LIG    1        4.448  -0.132  -0.556  0.00  0.00    -0.313 N 
ATOM     22  C   LIG    1        3.277   0.773  -0.591  0.00  0.00    +0.122 C 
ATOM     23  C   LIG    1        2.294   0.515   0.579  0.00  0.00    +0.103 C 
BRANCH  21  24
ATOM     24  C   LIG    1        5.493   0.297   0.277  0.00  0.00    +0.121 A 
ATOM     25  N   LIG    1        5.308   1.350   1.104  0.00  0.00    -0.239 NA
ATOM     26  C   LIG    1        6.342   1.751   1.887  0.00  0.00    +0.132 A 
ATOM     27  C   LIG    1        7.588   1.155   1.882  0.00  0.00    +0.059 A 
ATOM     28 CL   LIG    1        8.848   1.720   2.900  0.00  0.00    -0.082 Cl
ATOM     29  C   LIG    1        7.793   0.091   1.022  0.00  0.00    +0.025 A 
ATOM     30  C   LIG    1        6.739  -0.336   0.211  0.00  0.00    +0.045 A 
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH   7  17
TORSDOF 7