REMARK  Name = BDB003271
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.386   0.025   0.592  0.00  0.00    +0.076 A 
ATOM      2  N   LIG    1        1.612  -0.081   0.028  0.00  0.00    -0.214 NA
ATOM      3  C   LIG    1        2.694  -0.003   0.821  0.00  0.00    +0.220 A 
ATOM      4  N   LIG    1        2.618   0.160   2.147  0.00  0.00    -0.223 NA
ATOM      5  C   LIG    1        1.392   0.252   2.686  0.00  0.00    +0.116 A 
ATOM      6  C   LIG    1        0.234   0.191   1.953  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -3.038   0.462  -1.002  0.00  0.00    +0.119 A 
ATOM      8  N   LIG    1       -2.913  -0.237  -2.143  0.00  0.00    -0.240 NA
ATOM      9  C   LIG    1       -1.734  -0.845  -2.387  0.00  0.00    +0.113 A 
ATOM     10  C   LIG    1       -0.649  -0.792  -1.533  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1       -0.754  -0.066  -0.343  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1       -1.979   0.576  -0.101  0.00  0.00    +0.053 A 
BRANCH   7  13
ATOM     13  N   LIG    1       -4.217   1.158  -0.722  0.00  0.00    -0.329 N 
ATOM     14  H   LIG    1       -4.504   1.045   0.244  0.00  0.00    +0.147 HD
BRANCH  13  15
ATOM     15  C   LIG    1       -5.331   1.011  -1.655  0.00  0.00    +0.105 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -6.025  -0.353  -1.589  0.00  0.00    +0.046 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -6.560  -0.721  -0.212  0.00  0.00    +0.157 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -7.456   0.269   0.273  0.00  0.00    -0.395 OA
ATOM     19  H   LIG    1       -8.243   0.255  -0.298  0.00  0.00    +0.209 HD
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH   7  13
ENDBRANCH   1  11
BRANCH   3  20
ATOM     20  N   LIG    1        3.912  -0.108   0.155  0.00  0.00    -0.284 N 
ATOM     21  H   LIG    1        3.731  -0.195  -0.834  0.00  0.00    +0.155 HD
BRANCH  20  22
ATOM     22  C   LIG    1        5.251  -0.064   0.557  0.00  0.00    +0.035 A 
ATOM     23  C   LIG    1        6.250  -0.197  -0.421  0.00  0.00    +0.043 A 
ATOM     24  C   LIG    1        7.603  -0.167  -0.078  0.00  0.00    +0.043 A 
ATOM     25 CL   LIG    1        8.799  -0.332  -1.306  0.00  0.00    -0.083 Cl
ATOM     26  C   LIG    1        7.993  -0.007   1.247  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        7.019   0.123   2.232  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1        5.662   0.093   1.886  0.00  0.00    +0.023 A 
ENDBRANCH  20  22
ENDBRANCH   3  20
TORSDOF 8