REMARK  Name = BDB046276
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        6.925  -1.540   0.931  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1        5.762  -1.240   0.682  0.00  0.00    +0.257 A 
ATOM      3  C   LIG    1        5.396   0.117   0.186  0.00  0.00    +0.049 A 
ATOM      4  C   LIG    1        4.049   0.421  -0.088  0.00  0.00    +0.015 A 
ATOM      5  C   LIG    1        3.747   1.713  -0.553  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1        4.753   2.666  -0.737  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        6.081   2.347  -0.460  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        3.023  -0.607   0.119  0.00  0.00    +0.097 A 
ATOM      9  C   LIG    1        3.400  -1.865   0.583  0.00  0.00    +0.068 A 
ATOM     10  C   LIG    1        2.422  -2.826   0.769  0.00  0.00    +0.031 A 
ATOM     11  C   LIG    1        1.097  -2.493   0.488  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1        0.767  -1.211   0.039  0.00  0.00    +0.122 A 
ATOM     13  N   LIG    1        1.734  -0.286  -0.156  0.00  0.00    -0.230 NA
ATOM     14  C   LIG    1        6.405   1.072   0.002  0.00  0.00    +0.014 A 
ATOM     15  N   LIG    1        4.744  -2.151   0.851  0.00  0.00    -0.320 N 
ATOM     16  H   LIG    1        5.019  -3.064   1.186  0.00  0.00    +0.169 HD
ENDROOT
BRANCH  12  17
ATOM     17  N   LIG    1       -0.549  -0.880  -0.262  0.00  0.00    -0.313 N 
ATOM     18  C   LIG    1       -1.627  -1.356   0.622  0.00  0.00    +0.122 C 
ATOM     19  C   LIG    1       -2.622  -0.227   0.986  0.00  0.00    +0.103 C 
ATOM     20  N   LIG    1       -3.195   0.528  -0.149  0.00  0.00    -0.299 NA
ATOM     21  C   LIG    1       -2.242   0.587  -1.283  0.00  0.00    +0.103 C 
ATOM     22  C   LIG    1       -0.760   0.443  -0.874  0.00  0.00    +0.122 C 
BRANCH  20  23
ATOM     23  C   LIG    1       -4.490   0.012  -0.601  0.00  0.00    +0.088 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -5.574   0.385   0.373  0.00  0.00    +0.003 C 
ATOM     25  C   LIG    1       -6.933   0.814  -0.125  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -6.018   1.820   0.515  0.00  0.00    +0.005 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  12  17
TORSDOF 3