REMARK  Name = BDB006153
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.255   0.888  -0.018  0.00  0.00    +0.146 C 
ATOM      2  N   LIG    1       -1.605   1.124   1.411  0.00  0.00    -0.252 N 
ATOM      3  C   LIG    1       -0.466   1.273   2.243  0.00  0.00    +0.272 C 
ATOM      4  O   LIG    1       -0.396   1.604   3.415  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1        0.650   1.021   1.356  0.00  0.00    +0.153 A 
ATOM      6  N   LIG    1        1.969   0.988   1.484  0.00  0.00    -0.166 NA
ATOM      7  N   LIG    1        2.396   0.647   0.237  0.00  0.00    -0.264 N 
ATOM      8  C   LIG    1        1.363   0.586  -0.697  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1        0.225   0.786   0.056  0.00  0.00    +0.031 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1       -2.574   0.693  -2.736  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -2.363  -0.514  -1.860  0.00  0.00    -0.044 A 
ATOM     12  C   LIG    1       -1.760  -0.433  -0.581  0.00  0.00    -0.019 A 
ATOM     13  C   LIG    1       -1.635  -1.621   0.178  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1       -2.090  -2.847  -0.308  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -2.683  -2.911  -1.561  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -3.250  -4.418  -2.165  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -2.824  -1.758  -2.330  0.00  0.00    +0.023 A 
ENDBRANCH   1  12
BRANCH   2  18
ATOM     18  C   LIG    1       -2.951   1.239   1.861  0.00  0.00    +0.074 A 
ATOM     19  C   LIG    1       -3.332   0.879   3.165  0.00  0.00    +0.163 A 
ATOM     20  F   LIG    1       -2.451   0.296   3.992  0.00  0.00    -0.202 F 
ATOM     21  C   LIG    1       -4.657   1.008   3.590  0.00  0.00    +0.078 A 
ATOM     22 CL   LIG    1       -5.119   0.545   5.184  0.00  0.00    -0.081 Cl
ATOM     23  C   LIG    1       -5.631   1.488   2.718  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1       -5.279   1.824   1.414  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1       -3.953   1.694   0.988  0.00  0.00    +0.026 A 
ENDBRANCH   2  18
BRANCH   8  26
ATOM     26  C   LIG    1        1.480   0.358  -2.179  0.00  0.00    +0.032 C 
ATOM     27  C   LIG    1        2.048  -1.009  -2.543  0.00  0.00    +0.014 C 
ATOM     28  C   LIG    1        2.202   1.500  -2.893  0.00  0.00    +0.014 C 
ENDBRANCH   8  26
BRANCH   7  29
ATOM     29  C   LIG    1        3.823   0.477   0.052  0.00  0.00    +0.177 C 
BRANCH  29  30
ATOM     30  C   LIG    1        4.488  -0.678   0.837  0.00  0.00    +0.080 C 
ATOM     31  C   LIG    1        3.805  -2.025   0.590  0.00  0.00    +0.043 C 
ATOM     32  C   LIG    1        4.592  -0.413   2.343  0.00  0.00    +0.043 C 
BRANCH  30  33
ATOM     33  O   LIG    1        5.834  -0.815   0.334  0.00  0.00    -0.387 OA
ATOM     34  H   LIG    1        6.376  -0.107   0.724  0.00  0.00    +0.210 HD
ENDBRANCH  30  33
ENDBRANCH  29  30
ENDBRANCH   7  29
TORSDOF 6