REMARK  Name = BDB049850
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.472  -1.238   0.068  0.00  0.00    +0.153 A 
ATOM      2  C   LIG    1       -0.275  -2.493   0.349  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1       -1.661  -2.446   0.294  0.00  0.00    +0.052 A 
ATOM      4  C   LIG    1       -2.415  -3.607   0.536  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -1.779  -4.807   0.852  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.392  -4.850   0.938  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -2.350  -1.174   0.007  0.00  0.00    +0.280 A 
ATOM      8  O   LIG    1       -3.577  -1.216  -0.076  0.00  0.00    -0.265 OA
ATOM      9  N   LIG    1       -1.535  -0.047  -0.147  0.00  0.00    -0.195 N 
ATOM     10  C   LIG    1        0.361  -3.697   0.694  0.00  0.00    +0.012 A 
ATOM     11  N   LIG    1       -0.161  -0.118  -0.137  0.00  0.00    -0.147 NA
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1       -2.036   1.284  -0.386  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1       -1.154   2.312  -0.779  0.00  0.00    +0.029 A 
ATOM     14  C   LIG    1       -1.600   3.619  -1.016  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1       -2.945   3.925  -0.860  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -3.501   5.526  -1.147  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -3.841   2.937  -0.470  0.00  0.00    +0.022 A 
ATOM     18  C   LIG    1       -3.388   1.630  -0.235  0.00  0.00    +0.029 A 
ENDBRANCH   9  12
BRANCH   1  19
ATOM     19  N   LIG    1        1.864  -1.290   0.007  0.00  0.00    -0.283 N 
ATOM     20  H   LIG    1        2.245  -2.200  -0.220  0.00  0.00    +0.155 HD
BRANCH  19  26
ATOM     21  C   LIG    1        4.330   3.014   0.625  0.00  0.00    +0.067 C 
ATOM     22  C   LIG    1        3.904   1.622   0.345  0.00  0.00    +0.062 A 
ATOM     23  N   LIG    1        4.796   0.710  -0.061  0.00  0.00    -0.178 NA
ATOM     24  N   LIG    1        4.065  -0.407  -0.210  0.00  0.00    -0.264 N 
ATOM     25  H   LIG    1        4.541  -1.242  -0.527  0.00  0.00    +0.190 HD
ATOM     26  C   LIG    1        2.738  -0.251   0.088  0.00  0.00    +0.120 A 
ATOM     27  C   LIG    1        2.608   1.068   0.458  0.00  0.00    +0.068 A 
ENDBRANCH  19  26
ENDBRANCH   1  19
TORSDOF 3