REMARK  Name = BDB036856
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.141  -1.050  -1.030  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1        1.058  -0.769  -0.363  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1        1.170  -0.795   1.096  0.00  0.00    +0.133 C 
ATOM      4  O   LIG    1       -0.187  -1.415  -2.203  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        2.296  -0.862  -1.171  0.00  0.00    +0.163 C 
ATOM      6  C   LIG    1        3.606  -0.960  -0.367  0.00  0.00    +0.240 C 
ATOM      7  O   LIG    1        3.943  -1.975   0.241  0.00  0.00    -0.273 OA
ATOM      8  N   LIG    1        4.336   0.197  -0.229  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1        5.147   0.132   0.372  0.00  0.00    +0.158 HD
ATOM     10  C   LIG    1        3.958   1.468  -0.578  0.00  0.00    +0.219 C 
ATOM     11  O   LIG    1        4.579   2.444  -0.166  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        2.714   1.599  -1.420  0.00  0.00    +0.098 C 
ATOM     13  C   LIG    1        2.416   0.306  -2.162  0.00  0.00    +0.041 C 
ENDBRANCH   2   5
BRANCH   1  16
ATOM     14  C   LIG    1       -2.994   0.524   0.882  0.00  0.00    +0.121 A 
ATOM     15  C   LIG    1       -1.763   0.358   0.244  0.00  0.00    +0.058 A 
ATOM     16  C   LIG    1       -1.428  -0.876  -0.324  0.00  0.00    +0.040 A 
ATOM     17  C   LIG    1       -2.335  -1.937  -0.298  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1       -3.564  -1.772   0.338  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1       -3.891  -0.547   0.931  0.00  0.00    +0.045 A 
BRANCH  14  21
ATOM     20  C   LIG    1       -4.455   2.008   2.030  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1       -3.196   1.768   1.411  0.00  0.00    -0.495 OA
ENDBRANCH  14  21
ENDBRANCH   1  16
TORSDOF 3