REMARK  Name = BDB041971
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.569   0.197  -0.112  0.00  0.00    -0.266 N 
ATOM      2  C   LIG    1        1.271  -0.701  -0.934  0.00  0.00    +0.334 A 
ATOM      3  O   LIG    1        0.803  -1.343  -1.871  0.00  0.00    -0.246 OA
ATOM      4  N   LIG    1        2.615  -0.812  -0.668  0.00  0.00    -0.274 N 
ATOM      5  H   LIG    1        3.133  -1.426  -1.281  0.00  0.00    +0.173 HD
ATOM      6  C   LIG    1        3.352  -0.007   0.154  0.00  0.00    +0.271 A 
ATOM      7  O   LIG    1        4.574  -0.073   0.192  0.00  0.00    -0.266 OA
ATOM      8  C   LIG    1        2.581   0.947   0.973  0.00  0.00    +0.132 A 
ATOM      9  C   LIG    1        1.254   0.998   0.796  0.00  0.00    +0.120 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1       -1.378  -2.158  -0.120  0.00  0.00    +0.046 C 
ATOM     11  C   LIG    1       -1.757  -0.719  -0.340  0.00  0.00    -0.024 A 
ATOM     12  C   LIG    1       -0.849   0.355  -0.296  0.00  0.00    +0.072 A 
ATOM     13  C   LIG    1       -1.387   1.643  -0.419  0.00  0.00    +0.137 A 
ATOM     14  N   LIG    1       -2.697   1.929  -0.606  0.00  0.00    -0.261 NA
ATOM     15  C   LIG    1       -3.530   0.876  -0.691  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1       -3.115  -0.440  -0.568  0.00  0.00    +0.025 A 
ENDBRANCH   1  12
BRANCH   8  17
ATOM     17  C   LIG    1        3.243   1.776   1.913  0.00  0.00    +0.106 C 
ATOM     18  N   LIG    1        3.724   2.480   2.700  0.00  0.00    -0.191 NA
ENDBRANCH   8  17
TORSDOF 2