REMARK  Name = BDB045849
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.261  -0.648   0.229  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        0.383   0.436   0.189  0.00  0.00    +0.058 A 
ATOM      3  C   LIG    1       -0.998   0.222   0.053  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1       -1.496  -1.082  -0.064  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1       -0.619  -2.165  -0.022  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        0.751  -1.945   0.128  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.889   1.412   0.017  0.00  0.00    +0.242 C 
ATOM      8  O   LIG    1       -1.463   2.527  -0.260  0.00  0.00    -0.270 OA
ATOM      9  N   LIG    1       -3.204   1.229   0.346  0.00  0.00    -0.325 N 
ATOM     10  H   LIG    1       -3.753   2.074   0.439  0.00  0.00    +0.145 HD
ATOM     11  H   LIG    1       -3.522   0.415   0.850  0.00  0.00    +0.145 HD
ENDBRANCH   3   7
BRANCH   1  13
ATOM     12  C   LIG    1        3.193   0.724   0.418  0.00  0.00    +0.277 C 
ATOM     13  O   LIG    1        2.620  -0.577   0.363  0.00  0.00    -0.495 OA
ENDBRANCH   1  13
TORSDOF 2