REMARK  Name = BDB002243
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.887  -0.547  -0.981  0.00  0.00    +0.194 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.405  -0.025  -2.313  0.00  0.00    -0.000 A 
ATOM      3  C   LIG    1       -2.733  -0.241  -2.681  0.00  0.00    +0.116 A 
ATOM      4  N   LIG    1       -3.295   0.188  -3.836  0.00  0.00    -0.263 NA
ATOM      5  C   LIG    1       -2.491   0.849  -4.693  0.00  0.00    +0.111 A 
ATOM      6  C   LIG    1       -1.158   1.111  -4.442  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1       -0.612   0.669  -3.238  0.00  0.00    +0.009 A 
ENDBRANCH   1   2
BRANCH   1   9
ATOM      8  O   LIG    1        1.349  -1.237  -1.698  0.00  0.00    -0.273 OA
ATOM      9  C   LIG    1        0.673  -0.603  -0.887  0.00  0.00    +0.238 C 
ATOM     10  N   LIG    1        1.255   0.153   0.114  0.00  0.00    -0.311 N 
ATOM     11  H   LIG    1        0.664   0.398   0.900  0.00  0.00    +0.149 HD
BRANCH  10  12
ATOM     12  C   LIG    1        2.691   0.115   0.363  0.00  0.00    +0.073 C 
ATOM     13  C   LIG    1        3.085  -1.136   1.153  0.00  0.00    +0.022 C 
ATOM     14  C   LIG    1        4.601  -1.238   1.338  0.00  0.00    +0.002 C 
ATOM     15  C   LIG    1        5.308   0.118   1.358  0.00  0.00    +0.000 C 
ATOM     16  C   LIG    1        4.413   1.214   1.919  0.00  0.00    +0.002 C 
ATOM     17  C   LIG    1        3.137   1.392   1.093  0.00  0.00    +0.022 C 
ENDBRANCH  10  12
ENDBRANCH   1   9
BRANCH   1  18
ATOM     18  N   LIG    1       -1.562   0.022   0.234  0.00  0.00    -0.279 N 
ATOM     19  C   LIG    1       -1.523   1.384   0.578  0.00  0.00    +0.249 C 
ATOM     20  O   LIG    1       -1.569   1.781   1.740  0.00  0.00    -0.270 OA
BRANCH  19  21
ATOM     21  C   LIG    1       -1.434   2.422  -0.452  0.00  0.00    +0.055 A 
ATOM     22  C   LIG    1       -0.257   3.132  -0.638  0.00  0.00    +0.125 A 
ATOM     23  N   LIG    1       -0.119   4.125  -1.549  0.00  0.00    -0.243 NA
ATOM     24  C   LIG    1       -1.224   4.439  -2.262  0.00  0.00    +0.129 A 
ATOM     25 CL   LIG    1       -0.999   5.687  -3.415  0.00  0.00    -0.062 Cl
ATOM     26  C   LIG    1       -2.458   3.828  -2.108  0.00  0.00    +0.041 A 
ATOM     27  C   LIG    1       -2.567   2.801  -1.172  0.00  0.00    +0.017 A 
ENDBRANCH  19  21
BRANCH  18  28
ATOM     28  C   LIG    1       -1.969  -0.913   1.323  0.00  0.00    +0.077 C 
ATOM     29  C   LIG    1       -2.953  -2.018   0.875  0.00  0.00    +0.022 C 
ATOM     30  C   LIG    1       -2.358  -3.421   0.954  0.00  0.00    +0.002 C 
ATOM     31  C   LIG    1       -1.853  -3.754   2.358  0.00  0.00    +0.000 C 
ATOM     32  C   LIG    1       -1.230  -2.562   3.086  0.00  0.00    +0.002 C 
ATOM     33  C   LIG    1       -0.777  -1.472   2.120  0.00  0.00    +0.022 C 
ENDBRANCH  18  28
ENDBRANCH   1  18
TORSDOF 6