REMARK  Name = BDB003269
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.949   0.826   0.408  0.00  0.00    -0.069 NA
ATOM      2  C   LIG    1       -1.826   0.450  -0.113  0.00  0.00    +0.174 C 
ATOM      3  C   LIG    1       -1.202  -0.866  -0.296  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1        0.024  -0.640  -0.933  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1        0.862  -1.694  -1.256  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        0.450  -2.989  -0.922  0.00  0.00    +0.022 A 
ATOM      7  C   LIG    1       -0.781  -3.204  -0.281  0.00  0.00    +0.042 A 
ATOM      8 CL   LIG    1       -1.257  -4.810   0.115  0.00  0.00    -0.084 Cl
ATOM      9  N   LIG    1        0.228   0.729  -1.166  0.00  0.00    -0.261 N 
ATOM     10  C   LIG    1       -1.625  -2.141   0.040  0.00  0.00    +0.032 A 
ATOM     11  C   LIG    1       -0.841   1.471  -0.700  0.00  0.00    +0.273 C 
ATOM     12  O   LIG    1       -0.999   2.673  -0.718  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  13
ATOM     13  O   LIG    1       -3.712  -0.245   0.892  0.00  0.00    -0.317 OA
BRANCH  13  15
ATOM     14  C   LIG    1       -5.677  -0.962   1.935  0.00  0.00    +0.138 C 
ATOM     15  C   LIG    1       -4.894   0.212   1.425  0.00  0.00    +0.333 C 
ATOM     16  O   LIG    1       -5.286   1.369   1.494  0.00  0.00    -0.249 OA
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   9  17
ATOM     17  C   LIG    1        1.398   1.316  -1.786  0.00  0.00    +0.150 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.592   1.391  -0.859  0.00  0.00    -0.010 A 
ATOM     19  C   LIG    1        3.858   0.880  -1.196  0.00  0.00    +0.046 A 
ATOM     20 CL   LIG    1        4.172   0.110  -2.710  0.00  0.00    -0.083 Cl
ATOM     21  C   LIG    1        4.933   0.986  -0.304  0.00  0.00    +0.022 A 
ATOM     22  C   LIG    1        4.766   1.612   0.931  0.00  0.00    +0.021 A 
ATOM     23  C   LIG    1        3.526   2.142   1.270  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1        3.318   2.926   2.785  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1        2.451   2.042   0.386  0.00  0.00    +0.026 A 
ENDBRANCH  17  18
ENDBRANCH   9  17
TORSDOF 4