REMARK  Name = BDB036862
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.577  -1.772  -1.958  0.00  0.00    +0.133 C 
ATOM      2  N   LIG    1       -0.712  -0.895  -1.177  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1        0.656  -0.929  -1.457  0.00  0.00    +0.249 C 
ATOM      4  O   LIG    1        1.194  -1.764  -2.177  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.529   0.060  -0.813  0.00  0.00    +0.062 A 
ATOM      6  C   LIG    1        2.259  -0.242   0.348  0.00  0.00    +0.081 A 
ATOM      7  C   LIG    1        3.046   0.725   0.976  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1        3.581   0.071   2.105  0.00  0.00    +0.143 A 
ATOM      9  N   LIG    1        3.181  -1.197   2.204  0.00  0.00    -0.179 NA
ATOM     10  C   LIG    1        3.136   2.017   0.424  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        2.434   2.312  -0.751  0.00  0.00    +0.001 A 
ATOM     12  N   LIG    1        2.418  -1.379   1.105  0.00  0.00    -0.266 N 
ATOM     13  C   LIG    1        1.882  -2.696   0.847  0.00  0.00    +0.173 C 
ATOM     14  C   LIG    1        1.641   1.345  -1.364  0.00  0.00    +0.015 A 
ENDBRANCH   3   5
BRANCH   2  15
ATOM     15  C   LIG    1       -1.349   0.092  -0.277  0.00  0.00    +0.163 C 
ATOM     16  C   LIG    1       -1.945   1.282  -1.053  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1       -1.600   1.609  -2.187  0.00  0.00    -0.273 OA
ATOM     18  N   LIG    1       -2.877   2.032  -0.371  0.00  0.00    -0.255 N 
ATOM     19  H   LIG    1       -3.259   2.821  -0.875  0.00  0.00    +0.158 HD
ATOM     20  C   LIG    1       -3.489   1.734   0.820  0.00  0.00    +0.219 C 
ATOM     21  O   LIG    1       -4.393   2.438   1.260  0.00  0.00    -0.275 OA
ATOM     22  C   LIG    1       -2.960   0.535   1.571  0.00  0.00    +0.098 C 
ATOM     23  C   LIG    1       -2.431  -0.522   0.614  0.00  0.00    +0.041 C 
ENDBRANCH   2  15
TORSDOF 2