REMARK  Name = BDB036811
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.402  -0.254  -1.107  0.00  0.00    +0.263 C 
ATOM      2  N   LIG    1       -0.507   0.342  -0.247  0.00  0.00    -0.299 N 
ATOM      3  H   LIG    1       -0.181   1.106   0.339  0.00  0.00    +0.150 HD
ATOM      4  O   LIG    1        0.044  -0.905  -2.083  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.928   0.355  -0.568  0.00  0.00    +0.160 C 
ATOM      6  C   LIG    1       -2.609   1.419   0.298  0.00  0.00    +0.240 C 
ATOM      7  O   LIG    1       -1.982   2.303   0.882  0.00  0.00    -0.273 OA
ATOM      8  N   LIG    1       -3.977   1.342   0.383  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1       -4.415   2.038   0.971  0.00  0.00    +0.158 HD
ATOM     10  C   LIG    1       -4.732   0.218   0.163  0.00  0.00    +0.219 C 
ATOM     11  O   LIG    1       -5.886   0.145   0.574  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -4.079  -0.892  -0.626  0.00  0.00    +0.098 C 
ATOM     13  C   LIG    1       -2.594  -0.993  -0.311  0.00  0.00    +0.041 C 
ENDBRANCH   2   5
BRANCH   1  17
ATOM     14  C   LIG    1        4.170   0.400   2.172  0.00  0.00    +0.044 C 
ATOM     15  C   LIG    1        3.648   0.302   0.770  0.00  0.00    -0.047 A 
ATOM     16  C   LIG    1        2.288   0.088   0.527  0.00  0.00    +0.036 A 
ATOM     17  C   LIG    1        1.855  -0.033  -0.792  0.00  0.00    +0.126 A 
ATOM     18  N   LIG    1        2.690   0.030  -1.859  0.00  0.00    -0.250 NA
ATOM     19  C   LIG    1        3.999   0.220  -1.597  0.00  0.00    +0.112 A 
ATOM     20  C   LIG    1        4.519   0.358  -0.320  0.00  0.00    +0.023 A 
ENDBRANCH   1  17
TORSDOF 2