REMARK  Name = BDB012420
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.615  -0.165  -1.278  0.00  0.00    +0.043 C 
ATOM      2  C   LIG    1       -0.212   0.414  -1.143  0.00  0.00    +0.157 C 
ATOM      3  N   LIG    1        0.480  -0.566  -0.322  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -0.402  -1.601   0.018  0.00  0.00    +0.255 C 
ATOM      5  O   LIG    1       -0.184  -2.604   0.677  0.00  0.00    -0.269 OA
ATOM      6  C   LIG    1       -1.712  -1.328  -0.614  0.00  0.00    +0.077 C 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        1.845  -0.501  -0.016  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1        2.674   0.401  -0.580  0.00  0.00    +0.112 A 
ATOM      9  N   LIG    1        4.027   0.472  -0.286  0.00  0.00    -0.316 N 
ATOM     10  C   LIG    1        4.829   1.484  -0.958  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1        4.645  -0.392   0.612  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1        5.843  -0.366   0.884  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1        3.746  -1.391   1.265  0.00  0.00    +0.016 A 
ATOM     14  C   LIG    1        4.376  -2.314   2.259  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1        2.440  -1.413   0.949  0.00  0.00    +0.033 A 
ENDBRANCH   3   7
BRANCH   2  16
ATOM     16  C   LIG    1       -0.246   1.819  -0.545  0.00  0.00    -0.021 A 
ATOM     17  C   LIG    1       -0.055   2.936  -1.379  0.00  0.00    +0.007 A 
ATOM     18  C   LIG    1       -0.102   4.231  -0.858  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1       -0.345   4.423   0.500  0.00  0.00    +0.041 A 
ATOM     20 CL   LIG    1       -0.404   6.019   1.139  0.00  0.00    -0.084 Cl
ATOM     21  C   LIG    1       -0.542   3.332   1.342  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -0.497   2.036   0.822  0.00  0.00    +0.007 A 
ENDBRANCH   2  16
BRANCH   1  24
ATOM     23  C   LIG    1       -3.828   0.977  -1.421  0.00  0.00    +0.125 C 
ATOM     24  N   LIG    1       -2.589   0.494  -2.038  0.00  0.00    -0.348 N 
ATOM     25  H   LIG    1       -2.182   1.260  -2.579  0.00  0.00    +0.146 HD
ENDBRANCH   1  24
BRANCH   6  26
ATOM     26  C   LIG    1       -2.892  -2.214  -0.585  0.00  0.00    +0.049 C 
ATOM     27  N   LIG    1       -3.805  -2.286  -1.498  0.00  0.00    -0.303 NA
ATOM     28  H   LIG    1       -3.579  -1.607  -2.241  0.00  0.00    +0.186 HD
BRANCH  26  29
ATOM     29  C   LIG    1       -3.042  -3.119   0.579  0.00  0.00    +0.038 C 
ATOM     30  C   LIG    1       -4.384  -3.276   1.260  0.00  0.00    +0.010 C 
ATOM     31  C   LIG    1       -3.276  -2.549   1.960  0.00  0.00    +0.010 C 
ENDBRANCH  26  29
ENDBRANCH   6  26
TORSDOF 5