REMARK  Name = BDB036832
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.297  -1.563   1.103  0.00  0.00    -0.299 N 
ATOM      2  H   LIG    1       -1.555  -2.207   1.841  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1       -0.379  -2.127   0.257  0.00  0.00    +0.263 C 
ATOM      4  O   LIG    1        0.102  -3.213   0.570  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1  11
ATOM      5  O   LIG    1       -3.748   3.150  -0.455  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1       -3.200   2.131  -0.045  0.00  0.00    +0.219 C 
ATOM      7  N   LIG    1       -3.600   0.892  -0.481  0.00  0.00    -0.255 N 
ATOM      8  H   LIG    1       -4.338   0.885  -1.173  0.00  0.00    +0.158 HD
ATOM      9  C   LIG    1       -3.143  -0.340  -0.072  0.00  0.00    +0.240 C 
ATOM     10  O   LIG    1       -3.644  -1.372  -0.514  0.00  0.00    -0.273 OA
ATOM     11  C   LIG    1       -2.059  -0.319   1.014  0.00  0.00    +0.160 C 
ATOM     12  C   LIG    1       -1.212   0.947   0.918  0.00  0.00    +0.041 C 
ATOM     13  C   LIG    1       -2.120   2.165   1.012  0.00  0.00    +0.098 C 
ENDBRANCH   1  11
BRANCH   3  14
ATOM     14  C   LIG    1       -0.043  -1.449  -0.954  0.00  0.00    +0.129 A 
ATOM     15  N   LIG    1        1.100  -0.700  -1.220  0.00  0.00    -0.228 N 
ATOM     16  N   LIG    1        1.036  -0.170  -2.480  0.00  0.00    -0.174 NA
ATOM     17  C   LIG    1       -0.059  -0.685  -3.028  0.00  0.00    +0.135 A 
ATOM     18  C   LIG    1       -0.768  -1.484  -2.132  0.00  0.00    +0.054 A 
BRANCH  15  19
ATOM     19  C   LIG    1        2.218  -0.358  -0.389  0.00  0.00    +0.066 A 
ATOM     20  C   LIG    1        2.391  -0.859   0.906  0.00  0.00    +0.028 A 
ATOM     21  C   LIG    1        3.498  -0.474   1.674  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        4.443   0.410   1.161  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        4.288   0.911  -0.127  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        3.187   0.529  -0.897  0.00  0.00    +0.028 A 
ENDBRANCH  15  19
ENDBRANCH   3  14
TORSDOF 3