REMARK  Name = BDB012324
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.192  -1.562  -0.888  0.00  0.00    -0.182 N 
ATOM      2  C   LIG    1       -0.179  -1.283  -1.020  0.00  0.00    +0.220 A 
ATOM      3  C   LIG    1       -0.813  -2.511  -1.037  0.00  0.00    +0.088 A 
ATOM      4  C   LIG    1        0.207  -3.463  -0.958  0.00  0.00    +0.138 A 
ATOM      5  N   LIG    1        1.413  -2.913  -0.891  0.00  0.00    -0.170 NA
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1        3.270   1.523  -0.504  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1        2.139   0.708  -0.637  0.00  0.00    +0.063 A 
ATOM      8  C   LIG    1        2.314  -0.665  -0.757  0.00  0.00    +0.158 A 
ATOM      9  N   LIG    1        3.562  -1.218  -0.739  0.00  0.00    -0.236 NA
ATOM     10  C   LIG    1        4.633  -0.409  -0.613  0.00  0.00    +0.114 A 
ATOM     11  C   LIG    1        4.542   0.960  -0.494  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1        1.985   3.547  -0.334  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1        3.062   2.983  -0.368  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1        4.216   3.667  -0.280  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        3.934   4.603  -0.198  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   2  16
ATOM     16  O   LIG    1       -0.642  -0.029  -1.108  0.00  0.00    -0.471 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -2.057   0.158  -1.197  0.00  0.00    +0.266 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.720   0.117   0.160  0.00  0.00    -0.009 A 
ATOM     19  C   LIG    1       -3.891  -0.628   0.357  0.00  0.00    +0.027 A 
ATOM     20  C   LIG    1       -4.506  -0.649   1.610  0.00  0.00    +0.041 A 
ATOM     21 CL   LIG    1       -5.938  -1.577   1.840  0.00  0.00    -0.084 Cl
ATOM     22  C   LIG    1       -3.972   0.074   2.674  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -2.815   0.828   2.485  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -2.195   0.853   1.234  0.00  0.00    +0.007 A 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 6