REMARK  Name = BDB002599
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.035  -1.158  -0.642  0.00  0.00    -0.285 N 
ATOM      2  H   LIG    1        0.295  -1.440  -1.578  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1        0.991  -1.309   0.347  0.00  0.00    +0.219 C 
ATOM      4  O   LIG    1        0.865  -1.029   1.535  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  10
ATOM      5  C   LIG    1       -5.287   0.979  -0.414  0.00  0.00    +0.044 C 
ATOM      6  C   LIG    1       -3.889   0.427  -0.425  0.00  0.00    -0.047 A 
ATOM      7  C   LIG    1       -3.111   0.368   0.746  0.00  0.00    -0.046 A 
ATOM      8  C   LIG    1       -3.644   0.858   2.066  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1       -1.805  -0.156   0.688  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1       -1.264  -0.621  -0.512  0.00  0.00    +0.034 A 
ATOM     11  C   LIG    1       -2.045  -0.558  -1.669  0.00  0.00    +0.023 A 
ATOM     12  C   LIG    1       -3.342  -0.040  -1.627  0.00  0.00    +0.005 A 
ENDBRANCH   1  10
BRANCH   3  13
ATOM     13  C   LIG    1        2.260  -1.959  -0.176  0.00  0.00    +0.117 C 
BRANCH  13  14
ATOM     14  C   LIG    1        3.490  -1.504   0.599  0.00  0.00    +0.130 C 
BRANCH  14  15
ATOM     15  N   LIG    1        3.945  -0.189   0.171  0.00  0.00    -0.353 N 
ATOM     16  C   LIG    1        3.542   1.003   0.711  0.00  0.00    +0.085 A 
ATOM     17  C   LIG    1        4.186   2.015   0.032  0.00  0.00    +0.019 A 
ATOM     18  C   LIG    1        5.010   1.409  -0.946  0.00  0.00    +0.019 A 
ATOM     19  C   LIG    1        4.844   0.045  -0.836  0.00  0.00    +0.085 A 
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH   3  13
TORSDOF 4