REMARK  Name = BDB046429
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.702  -0.130   1.374  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        3.705   0.052   0.417  0.00  0.00    +0.057 A 
ATOM      3  C   LIG    1        5.005  -0.452   0.617  0.00  0.00    +0.026 A 
ATOM      4  C   LIG    1        5.268  -1.149   1.805  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1        4.272  -1.332   2.766  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        2.995  -0.822   2.549  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        6.040  -0.254  -0.411  0.00  0.00    +0.200 A 
ATOM      8  C   LIG    1        7.363  -0.414  -0.367  0.00  0.00    +0.240 A 
ATOM      9  N   LIG    1        7.850  -0.093  -1.573  0.00  0.00    -0.259 N 
ATOM     10  H   LIG    1        8.802  -0.099  -1.897  0.00  0.00    +0.175 HD
ATOM     11  C   LIG    1        6.806   0.275  -2.384  0.00  0.00    +0.421 A 
ATOM     12  O   LIG    1        6.910   0.626  -3.549  0.00  0.00    -0.223 OA
ATOM     13  O   LIG    1        5.611   0.193  -1.688  0.00  0.00    -0.404 OA
BRANCH   8  14
ATOM     14  O   LIG    1        8.175  -0.805   0.636  0.00  0.00    -0.491 OA
ATOM     15  H   LIG    1        9.085  -0.765   0.304  0.00  0.00    +0.294 HD
ENDBRANCH   8  14
ENDBRANCH   3   7
BRANCH   1  16
ATOM     16  O   LIG    1        1.412   0.315   1.285  0.00  0.00    -0.492 OA
BRANCH  16  17
ATOM     17  C   LIG    1        1.037   1.000   0.091  0.00  0.00    +0.232 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -0.436   1.381   0.183  0.00  0.00    +0.082 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.338   0.157   0.323  0.00  0.00    +0.232 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -2.691   0.614   0.301  0.00  0.00    -0.492 OA
BRANCH  20  22
ATOM     21  C   LIG    1       -4.999   0.154   0.225  0.00  0.00    -0.006 A 
ATOM     22  C   LIG    1       -3.682  -0.331   0.349  0.00  0.00    +0.124 A 
ATOM     23  C   LIG    1       -3.466  -1.702   0.519  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1       -4.544  -2.590   0.562  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -5.846  -2.116   0.436  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -6.073  -0.751   0.269  0.00  0.00    +0.007 A 
BRANCH  21  27
ATOM     27  C   LIG    1       -5.285   1.628   0.033  0.00  0.00    +0.038 C 
BRANCH  27  29
ATOM     28  C   LIG    1       -5.971   1.563  -2.424  0.00  0.00    +0.004 C 
ATOM     29  C   LIG    1       -5.014   2.135  -1.387  0.00  0.00    +0.001 C 
ENDBRANCH  27  29
ENDBRANCH  21  27
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 10