REMARK  Name = BDB036824
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.303  -0.848   0.730  0.00  0.00    +0.245 C 
ATOM      2  N   LIG    1        0.710  -0.328  -0.050  0.00  0.00    -0.300 N 
ATOM      3  H   LIG    1        0.498  -0.216  -1.038  0.00  0.00    +0.150 HD
ATOM      4  O   LIG    1       -0.102  -1.450   1.778  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        2.109  -0.620   0.260  0.00  0.00    +0.160 C 
ATOM      6  C   LIG    1        2.937  -0.189  -0.957  0.00  0.00    +0.240 C 
ATOM      7  O   LIG    1        2.729  -0.645  -2.082  0.00  0.00    -0.273 OA
ATOM      8  N   LIG    1        3.821   0.843  -0.777  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1        4.306   1.134  -1.616  0.00  0.00    +0.158 HD
ATOM     10  C   LIG    1        3.657   1.849   0.139  0.00  0.00    +0.219 C 
ATOM     11  O   LIG    1        4.152   2.957  -0.050  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        2.765   1.556   1.319  0.00  0.00    +0.098 C 
ATOM     13  C   LIG    1        2.617   0.058   1.533  0.00  0.00    +0.041 C 
ENDBRANCH   2   5
BRANCH   1  17
ATOM     14  C   LIG    1       -4.338  -0.427  -0.684  0.00  0.00    +0.052 A 
ATOM     15  C   LIG    1       -3.993  -1.455   0.198  0.00  0.00    +0.019 A 
ATOM     16  C   LIG    1       -2.675  -1.578   0.649  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1       -1.691  -0.679   0.216  0.00  0.00    +0.037 A 
ATOM     18  C   LIG    1       -2.041   0.359  -0.657  0.00  0.00    +0.014 A 
ATOM     19  C   LIG    1       -3.361   0.481  -1.108  0.00  0.00    +0.019 A 
BRANCH  14  21
ATOM     20  N   LIG    1       -6.781  -0.191  -1.525  0.00  0.00    -0.191 NA
ATOM     21  C   LIG    1       -5.690  -0.298  -1.147  0.00  0.00    +0.099 C 
ENDBRANCH  14  21
ENDBRANCH   1  17
TORSDOF 3