REMARK  Name = BDB012496
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.026  -3.670  -2.455  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1       -2.003  -2.289  -1.914  0.00  0.00    -0.020 A 
ATOM      3  C   LIG    1       -0.902  -1.612  -1.376  0.00  0.00    +0.063 A 
ATOM      4  C   LIG    1        0.500  -1.760  -1.093  0.00  0.00    +0.254 C 
ATOM      5  N   LIG    1        0.919  -0.508  -0.544  0.00  0.00    -0.253 N 
ATOM      6  C   LIG    1       -0.242   0.441  -0.375  0.00  0.00    +0.160 C 
ATOM      7  O   LIG    1        1.144  -2.771  -1.323  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -1.305  -0.368  -1.004  0.00  0.00    +0.065 A 
ATOM      9  N   LIG    1       -2.622  -0.163  -1.301  0.00  0.00    -0.272 N 
ATOM     10  C   LIG    1       -3.324   1.056  -1.165  0.00  0.00    +0.321 C 
ATOM     11  N   LIG    1       -4.712   0.937  -1.189  0.00  0.00    -0.289 N 
ATOM     12  C   LIG    1       -5.394   0.007  -0.293  0.00  0.00    +0.133 C 
ATOM     13  C   LIG    1       -5.445   2.159  -1.468  0.00  0.00    +0.133 C 
ATOM     14  O   LIG    1       -2.683   2.099  -1.126  0.00  0.00    -0.249 OA
ATOM     15  C   LIG    1       -3.052  -1.375  -1.863  0.00  0.00    +0.100 A 
ENDROOT
BRANCH   5  16
ATOM     16  C   LIG    1        2.238  -0.178  -0.225  0.00  0.00    +0.055 A 
ATOM     17  C   LIG    1        3.257  -1.062  -0.275  0.00  0.00    +0.118 A 
ATOM     18  N   LIG    1        4.546  -0.669   0.066  0.00  0.00    -0.285 N 
ATOM     19  C   LIG    1        4.878   0.610   0.469  0.00  0.00    +0.164 A 
ATOM     20  N   LIG    1        6.166   0.670   0.728  0.00  0.00    -0.129 NA
ATOM     21  N   LIG    1        6.702  -0.575   0.497  0.00  0.00    -0.134 NA
ATOM     22  C   LIG    1        3.838   1.589   0.527  0.00  0.00    -0.004 A 
ATOM     23  C   LIG    1        4.102   3.014   0.940  0.00  0.00    +0.047 C 
ATOM     24  C   LIG    1        5.731  -1.374   0.100  0.00  0.00    +0.135 A 
ATOM     25  C   LIG    1        5.859  -2.803  -0.259  0.00  0.00    +0.088 C 
ATOM     26  C   LIG    1        2.586   1.194   0.188  0.00  0.00    +0.032 A 
ENDBRANCH   5  16
BRANCH   6  27
ATOM     27  C   LIG    1       -0.548   0.751   1.086  0.00  0.00    -0.021 A 
ATOM     28  C   LIG    1       -0.523  -0.243   2.082  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1       -0.821   0.068   3.411  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -1.154   1.374   3.760  0.00  0.00    +0.041 A 
ATOM     31 CL   LIG    1       -1.528   1.754   5.395  0.00  0.00    -0.084 Cl
ATOM     32  C   LIG    1       -1.193   2.372   2.790  0.00  0.00    +0.020 A 
ATOM     33  C   LIG    1       -0.893   2.062   1.461  0.00  0.00    +0.007 A 
ENDBRANCH   6  27
TORSDOF 2