REMARK  Name = BDB002296
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.719   0.567  -0.151  0.00  0.00    -0.280 N 
ATOM      2  C   LIG    1        0.275   1.080   0.669  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        0.163   1.893   1.566  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        1.531   0.439   0.263  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        1.241  -0.491  -0.735  0.00  0.00    -0.018 A 
ATOM      6  C   LIG    1        2.253  -1.248  -1.297  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        3.560  -1.049  -0.835  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1        3.837  -0.108   0.175  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        2.810   0.651   0.740  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -0.225  -0.497  -1.014  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -2.964   0.817  -1.169  0.00  0.00    +0.040 C 
ATOM     12  C   LIG    1       -2.140   0.798   0.115  0.00  0.00    +0.182 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -2.756  -0.201   1.104  0.00  0.00    +0.325 C 
ATOM     14  O   LIG    1       -3.923  -0.210   1.471  0.00  0.00    -0.249 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -1.910  -1.141   1.573  0.00  0.00    -0.479 OA
ATOM     16  H   LIG    1       -2.446  -1.639   2.224  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH   1  12
TORSDOF 3