REMARK  Name = BDB036857
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.202  -1.388  -1.421  0.00  0.00    +0.133 C 
ATOM      2  N   LIG    1        0.560  -0.473  -0.574  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1        0.100  -0.031   0.672  0.00  0.00    +0.266 C 
ATOM      4  O   LIG    1        0.887   0.331   1.545  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.320  -0.018   0.910  0.00  0.00    +0.131 A 
ATOM      6  N   LIG    1       -1.912  -0.566   2.023  0.00  0.00    -0.261 N 
ATOM      7  C   LIG    1       -1.237  -1.246   3.106  0.00  0.00    +0.173 C 
ATOM      8  N   LIG    1       -3.260  -0.474   2.048  0.00  0.00    -0.171 NA
ATOM      9  C   LIG    1       -3.575   0.238   0.957  0.00  0.00    +0.093 A 
ATOM     10  C   LIG    1       -4.830   0.673   0.500  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1       -4.776   1.428  -0.692  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -3.560   1.729  -1.379  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -2.288   1.303  -0.947  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -2.371   0.550   0.225  0.00  0.00    +0.032 A 
ENDBRANCH   3   5
BRANCH   2  15
ATOM     15  C   LIG    1        2.001  -0.383  -0.858  0.00  0.00    +0.163 C 
ATOM     16  C   LIG    1        2.822  -1.328   0.035  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1        2.394  -2.400   0.462  0.00  0.00    -0.273 OA
ATOM     18  N   LIG    1        4.132  -0.965   0.252  0.00  0.00    -0.255 N 
ATOM     19  H   LIG    1        4.675  -1.595   0.826  0.00  0.00    +0.158 HD
ATOM     20  C   LIG    1        4.809   0.107  -0.272  0.00  0.00    +0.219 C 
ATOM     21  O   LIG    1        6.011   0.255  -0.071  0.00  0.00    -0.275 OA
ATOM     22  C   LIG    1        4.026   1.030  -1.176  0.00  0.00    +0.098 C 
ATOM     23  C   LIG    1        2.550   1.046  -0.813  0.00  0.00    +0.041 C 
ENDBRANCH   2  15
TORSDOF 2