REMARK  Name = BDB012408
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.873   0.255  -0.700  0.00  0.00    -0.182 N 
ATOM      2  C   LIG    1       -0.544  -0.919  -1.387  0.00  0.00    +0.217 A 
ATOM      3  C   LIG    1        0.782  -0.810  -1.740  0.00  0.00    +0.092 A 
ATOM      4  C   LIG    1        1.208   0.437  -1.240  0.00  0.00    +0.071 A 
ATOM      5  N   LIG    1        0.211   1.089  -0.635  0.00  0.00    -0.167 NA
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1       -4.423   0.301   0.459  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1       -3.242  -0.151  -0.142  0.00  0.00    +0.063 A 
ATOM      8  C   LIG    1       -2.118   0.664  -0.102  0.00  0.00    +0.158 A 
ATOM      9  N   LIG    1       -2.152   1.884   0.510  0.00  0.00    -0.236 NA
ATOM     10  C   LIG    1       -3.303   2.294   1.080  0.00  0.00    +0.114 A 
ATOM     11  C   LIG    1       -4.459   1.546   1.082  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1       -5.672  -1.673  -0.116  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1       -5.615  -0.577   0.408  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1       -6.685  -0.038   1.020  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1       -7.385  -0.717   0.910  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   2  16
ATOM     16  O   LIG    1       -1.398  -1.913  -1.620  0.00  0.00    -0.492 OA
ATOM     17  H   LIG    1       -0.917  -2.614  -2.097  0.00  0.00    +0.294 HD
ENDBRANCH   2  16
BRANCH   4  18
ATOM     18  C   LIG    1        2.560   1.064  -1.345  0.00  0.00    +0.092 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.454   0.312  -0.386  0.00  0.00    -0.041 A 
ATOM     20  C   LIG    1        4.414  -0.595  -0.863  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1        5.240  -1.286   0.026  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        5.114  -1.074   1.398  0.00  0.00    +0.041 A 
ATOM     23 CL   LIG    1        6.131  -1.929   2.491  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1        4.169  -0.176   1.889  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        3.344   0.516   1.000  0.00  0.00    +0.005 A 
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 6