REMARK  Name = BDB036820
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.214  -0.193  -0.611  0.00  0.00    +0.263 C 
ATOM      2  N   LIG    1       -0.817   0.096   0.256  0.00  0.00    -0.299 N 
ATOM      3  H   LIG    1       -0.568   0.541   1.137  0.00  0.00    +0.150 HD
ATOM      4  O   LIG    1        0.021  -0.320  -1.816  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        0.943  -1.682   2.032  0.00  0.00    +0.173 C 
ATOM      6  N   LIG    1        1.823  -0.894   1.196  0.00  0.00    -0.261 N 
ATOM      7  C   LIG    1        1.513  -0.276   0.006  0.00  0.00    +0.131 A 
ATOM      8  C   LIG    1        2.734   0.173  -0.449  0.00  0.00    +0.032 A 
ATOM      9  C   LIG    1        3.714  -0.138   0.562  0.00  0.00    +0.093 A 
ATOM     10  C   LIG    1        5.061   0.224   0.400  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1        5.331   0.895  -0.812  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        4.332   1.187  -1.790  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        2.972   0.839  -1.651  0.00  0.00    +0.012 A 
ATOM     14  N   LIG    1        3.113  -0.775   1.577  0.00  0.00    -0.171 NA
ENDBRANCH   1   7
BRANCH   2  15
ATOM     15  C   LIG    1       -2.150   0.404  -0.246  0.00  0.00    +0.160 C 
ATOM     16  C   LIG    1       -2.939   1.083   0.877  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1       -2.395   1.570   1.868  0.00  0.00    -0.273 OA
ATOM     18  N   LIG    1       -4.301   1.132   0.715  0.00  0.00    -0.255 N 
ATOM     19  H   LIG    1       -4.814   1.567   1.470  0.00  0.00    +0.158 HD
ATOM     20  C   LIG    1       -5.045   0.295  -0.078  0.00  0.00    +0.219 C 
ATOM     21  O   LIG    1       -6.257   0.191   0.080  0.00  0.00    -0.275 OA
ATOM     22  C   LIG    1       -4.299  -0.455  -1.157  0.00  0.00    +0.098 C 
ATOM     23  C   LIG    1       -2.903  -0.844  -0.694  0.00  0.00    +0.041 C 
ENDBRANCH   2  15
TORSDOF 2