REMARK  Name = BDB002701
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.420   0.335   0.612  0.00  0.00    -0.230 N 
ATOM      2  H   LIG    1       -0.620   1.294   0.352  0.00  0.00    +0.173 HD
ATOM      3  C   LIG    1       -1.342  -0.664   0.342  0.00  0.00    +0.263 C 
ATOM      4  O   LIG    1       -1.326  -1.744   0.929  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -2.338  -0.320  -0.664  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1       -3.436  -1.105  -0.985  0.00  0.00    +0.114 A 
ATOM      7  C   LIG    1       -3.936  -2.407  -0.489  0.00  0.00    +0.087 C 
ATOM      8  O   LIG    1       -4.178  -0.514  -1.963  0.00  0.00    -0.467 OA
ATOM      9  C   LIG    1       -3.563   0.647  -2.286  0.00  0.00    +0.196 A 
ATOM     10  C   LIG    1       -2.431   0.817  -1.525  0.00  0.00    +0.054 A 
ENDBRANCH   3   5
BRANCH   1  12
ATOM     11  C   LIG    1        1.814   0.356   1.573  0.00  0.00    +0.229 C 
ATOM     12  N   LIG    1        0.459   0.139   1.689  0.00  0.00    -0.234 N 
ATOM     13  H   LIG    1        0.191  -0.578   2.365  0.00  0.00    +0.173 HD
ATOM     14  O   LIG    1        2.584  -0.095   2.418  0.00  0.00    -0.274 OA
BRANCH  11  15
ATOM     15  C   LIG    1        2.266   1.207   0.396  0.00  0.00    +0.097 C 
BRANCH  15  17
ATOM     16  C   LIG    1        4.511   0.164  -0.166  0.00  0.00    +0.004 C 
ATOM     17  C   LIG    1        3.780   1.404   0.330  0.00  0.00    +0.006 C 
ENDBRANCH  15  17
ENDBRANCH  11  15
ENDBRANCH   1  12
TORSDOF 4