REMARK  Name = BDB012412
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.272  -2.511   0.528  0.00  0.00    +0.217 A 
ATOM      2  N   LIG    1        0.477  -1.341   0.612  0.00  0.00    -0.182 N 
ATOM      3  N   LIG    1       -0.244  -0.317   1.148  0.00  0.00    -0.167 NA
ATOM      4  C   LIG    1       -1.461  -0.836   1.369  0.00  0.00    +0.071 A 
ATOM      5  C   LIG    1       -1.519  -2.203   1.012  0.00  0.00    +0.092 A 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1        1.840  -1.183   0.208  0.00  0.00    +0.158 A 
ATOM      7  N   LIG    1        2.478  -2.276  -0.310  0.00  0.00    -0.236 NA
ATOM      8  C   LIG    1        3.764  -2.112  -0.688  0.00  0.00    +0.114 A 
ATOM      9  C   LIG    1        4.451  -0.917  -0.579  0.00  0.00    +0.031 A 
ATOM     10  C   LIG    1        3.789   0.193  -0.048  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1        2.456   0.056   0.353  0.00  0.00    +0.060 A 
BRANCH  10  12
ATOM     12  C   LIG    1        4.480   1.468   0.082  0.00  0.00    +0.204 A 
ATOM     13  N   LIG    1        3.931   2.592   0.573  0.00  0.00    -0.133 NA
ATOM     14  N   LIG    1        4.972   3.431   0.468  0.00  0.00    -0.176 N 
ATOM     15  H   LIG    1        4.916   4.404   0.757  0.00  0.00    +0.214 HD
ATOM     16  N   LIG    1        6.094   2.913  -0.042  0.00  0.00    -0.049 NA
ATOM     17  N   LIG    1        5.792   1.648  -0.295  0.00  0.00    -0.108 NA
ENDBRANCH  10  12
ENDBRANCH   2   6
BRANCH   1  18
ATOM     18  O   LIG    1        0.194  -3.670   0.056  0.00  0.00    -0.492 OA
ATOM     19  H   LIG    1        1.129  -3.526  -0.215  0.00  0.00    +0.294 HD
ENDBRANCH   1  18
BRANCH   4  20
ATOM     20  C   LIG    1       -2.548  -0.000   1.960  0.00  0.00    +0.092 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.438   0.416   0.812  0.00  0.00    -0.041 A 
ATOM     22  C   LIG    1       -4.649  -0.251   0.568  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -5.469   0.136  -0.496  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -5.083   1.190  -1.321  0.00  0.00    +0.041 A 
ATOM     25 CL   LIG    1       -6.094   1.664  -2.630  0.00  0.00    -0.084 Cl
ATOM     26  C   LIG    1       -3.884   1.861  -1.094  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -3.065   1.476  -0.031  0.00  0.00    +0.005 A 
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 5