REMARK  Name = BDB036787
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.352  -0.300   0.601  0.00  0.00    +0.263 C 
ATOM      2  N   LIG    1        1.442   0.509   0.376  0.00  0.00    -0.299 N 
ATOM      3  H   LIG    1        1.425   1.473   0.693  0.00  0.00    +0.150 HD
ATOM      4  O   LIG    1        0.386  -1.498   0.343  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        2.724  -0.029  -0.048  0.00  0.00    +0.160 C 
ATOM      6  C   LIG    1        3.806   1.022   0.222  0.00  0.00    +0.240 C 
ATOM      7  O   LIG    1        3.626   1.990   0.960  0.00  0.00    -0.273 OA
ATOM      8  N   LIG    1        5.008   0.821  -0.410  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1        5.710   1.530  -0.241  0.00  0.00    +0.158 HD
ATOM     10  C   LIG    1        5.197   0.092  -1.557  0.00  0.00    +0.219 C 
ATOM     11  O   LIG    1        6.208   0.239  -2.237  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        4.119  -0.905  -1.910  0.00  0.00    +0.098 C 
ATOM     13  C   LIG    1        2.740  -0.387  -1.530  0.00  0.00    +0.041 C 
ENDBRANCH   2   5
BRANCH   1  18
ATOM     14  C   LIG    1       -2.646   2.462   3.564  0.00  0.00    +0.067 C 
ATOM     15  C   LIG    1       -2.103   1.556   2.524  0.00  0.00    +0.061 A 
ATOM     16  N   LIG    1       -2.919   0.758   1.839  0.00  0.00    -0.171 NA
ATOM     17  N   LIG    1       -2.125   0.099   0.942  0.00  0.00    -0.227 N 
ATOM     18  C   LIG    1       -0.781   0.376   1.177  0.00  0.00    +0.129 A 
ATOM     19  C   LIG    1       -0.766   1.370   2.144  0.00  0.00    +0.057 A 
BRANCH  17  20
ATOM     20  C   LIG    1       -2.760  -0.667  -0.087  0.00  0.00    +0.066 A 
ATOM     21  C   LIG    1       -4.117  -1.008   0.062  0.00  0.00    +0.028 A 
ATOM     22  C   LIG    1       -4.782  -1.739  -0.925  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1       -4.106  -2.128  -2.077  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -2.769  -1.777  -2.247  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -2.098  -1.044  -1.261  0.00  0.00    +0.028 A 
ENDBRANCH  17  20
ENDBRANCH   1  18
TORSDOF 3