REMARK  Name = BDB003196
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.784  -2.932  -1.287  0.00  0.00    +0.269 C 
ATOM      2  O   LIG    1        0.580  -2.430  -1.173  0.00  0.00    -0.449 OA
ATOM      3  C   LIG    1        0.667  -1.401  -0.262  0.00  0.00    +0.145 C 
ATOM      4  C   LIG    1        1.802  -0.820  -0.060  0.00  0.00    +0.037 C 
ATOM      5  C   LIG    1       -0.545  -0.769   0.005  0.00  0.00    +0.074 C 
ATOM      6  C   LIG    1       -1.761  -0.916  -0.386  0.00  0.00    +0.144 C 
ATOM      7  O   LIG    1       -1.897  -1.965  -1.281  0.00  0.00    -0.449 OA
ATOM      8  C   LIG    1       -0.877  -3.626  -2.707  0.00  0.00    +0.091 C 
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        3.110  -0.065   0.235  0.00  0.00    +0.012 C 
ATOM     10  C   LIG    1        4.185   0.615   0.516  0.00  0.00    +0.111 C 
ATOM     11  C   LIG    1        5.521  -0.011   0.400  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1        5.627  -1.207   0.112  0.00  0.00    -0.268 OA
ATOM     13  N   LIG    1        6.539   0.806   0.666  0.00  0.00    -0.122 NA
ATOM     14  C   LIG    1        6.317   2.131   0.646  0.00  0.00    +0.353 C 
ATOM     15  O   LIG    1        7.154   2.904   0.181  0.00  0.00    -0.248 OA
ATOM     16  N   LIG    1        5.229   2.597   1.282  0.00  0.00    -0.122 NA
ATOM     17  C   LIG    1        4.066   1.981   1.080  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1        2.956   2.448   1.355  0.00  0.00    -0.268 OA
ENDBRANCH   4   9
BRANCH   6  19
ATOM     19  C   LIG    1       -2.877   0.015  -0.204  0.00  0.00    +0.018 A 
ATOM     20  C   LIG    1       -4.146  -0.275  -0.728  0.00  0.00    +0.011 A 
ATOM     21  C   LIG    1       -5.216   0.608  -0.551  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1       -5.032   1.796   0.152  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -3.779   2.101   0.678  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -2.711   1.217   0.502  0.00  0.00    +0.011 A 
ENDBRANCH   6  19
BRANCH   1  26
ATOM     25  C   LIG    1       -1.359  -5.021   0.875  0.00  0.00    +0.008 C 
ATOM     26  C   LIG    1       -1.039  -3.959  -0.226  0.00  0.00    +0.084 C 
ENDBRANCH   1  26
TORSDOF 3