REMARK  Name = BDB036842
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.249   0.861   1.323  0.00  0.00    +0.133 C 
ATOM      2  N   LIG    1       -1.417   0.655  -0.116  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1       -0.338   0.616  -1.008  0.00  0.00    +0.247 C 
ATOM      4  O   LIG    1       -0.460   0.765  -2.222  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.021   0.360  -0.492  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1        1.310  -0.868   0.124  0.00  0.00    +0.024 A 
ATOM      7  C   LIG    1        2.621  -1.087   0.582  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1        3.301  -2.137   1.237  0.00  0.00    +0.143 A 
ATOM      9  N   LIG    1        4.586  -1.857   1.464  0.00  0.00    -0.179 NA
ATOM     10  N   LIG    1        4.737  -0.622   0.945  0.00  0.00    -0.267 N 
ATOM     11  C   LIG    1        6.032   0.015   0.992  0.00  0.00    +0.173 C 
ATOM     12  C   LIG    1        3.588  -0.101   0.398  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        3.316   1.118  -0.241  0.00  0.00    +0.029 A 
ATOM     14  C   LIG    1        2.009   1.328  -0.692  0.00  0.00    +0.015 A 
ENDBRANCH   3   5
BRANCH   2  15
ATOM     15  C   LIG    1       -2.753   0.875  -0.716  0.00  0.00    +0.163 C 
ATOM     16  C   LIG    1       -3.839   1.380   0.253  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1       -3.843   2.520   0.718  0.00  0.00    -0.273 OA
ATOM     18  N   LIG    1       -4.745   0.451   0.707  0.00  0.00    -0.255 N 
ATOM     19  H   LIG    1       -5.395   0.783   1.407  0.00  0.00    +0.158 HD
ATOM     20  C   LIG    1       -4.676  -0.911   0.567  0.00  0.00    +0.219 C 
ATOM     21  O   LIG    1       -5.369  -1.651   1.260  0.00  0.00    -0.275 OA
ATOM     22  C   LIG    1       -3.660  -1.444  -0.412  0.00  0.00    +0.098 C 
ATOM     23  C   LIG    1       -3.270  -0.383  -1.429  0.00  0.00    +0.041 C 
ENDBRANCH   2  15
TORSDOF 2