REMARK  Name = BDB003666
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.147   0.552  -0.265  0.00  0.00    +0.104 C 
ATOM      2  C   LIG    1       -0.252   2.028   0.005  0.00  0.00    +0.210 C 
ATOM      3  O   LIG    1        0.700   2.794  -0.103  0.00  0.00    -0.285 OA
ATOM      4  C   LIG    1       -1.561   2.572   0.406  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1       -2.695   1.772   0.403  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1       -3.934   2.312   0.778  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1       -4.031   3.652   1.157  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -2.894   4.457   1.158  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -2.613   0.361  -0.002  0.00  0.00    +0.210 C 
ATOM     10  O   LIG    1       -3.635  -0.317  -0.066  0.00  0.00    -0.285 OA
ATOM     11  C   LIG    1       -1.662   3.921   0.782  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1       -1.260  -0.214  -0.316  0.00  0.00    +0.103 C 
ENDROOT
BRANCH  12  13
ATOM     13  N   LIG    1       -1.181  -1.587  -0.673  0.00  0.00    -0.321 N 
ATOM     14  C   LIG    1       -1.725  -2.613   0.262  0.00  0.00    +0.133 C 
ATOM     15  C   LIG    1       -2.812  -3.475  -0.398  0.00  0.00    +0.178 C 
ATOM     16  O   LIG    1       -2.339  -4.186  -1.553  0.00  0.00    -0.377 OA
ATOM     17  C   LIG    1       -1.356  -3.455  -2.301  0.00  0.00    +0.178 C 
ATOM     18  C   LIG    1       -1.432  -1.935  -2.099  0.00  0.00    +0.133 C 
ENDBRANCH  12  13
BRANCH   1  19
ATOM     19  N   LIG    1        1.101  -0.006  -0.566  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1        0.970  -0.985  -0.835  0.00  0.00    +0.152 HD
BRANCH  19  23
ATOM     21  C   LIG    1        4.703  -0.270   0.250  0.00  0.00    +0.061 A 
ATOM     22  C   LIG    1        3.474  -0.385  -0.408  0.00  0.00    +0.038 A 
ATOM     23  C   LIG    1        2.303   0.127   0.167  0.00  0.00    +0.032 A 
ATOM     24  C   LIG    1        2.397   0.742   1.422  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1        3.622   0.838   2.092  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1        4.779   0.329   1.510  0.00  0.00    +0.015 A 
BRANCH  21  28
ATOM     27  O   LIG    1        5.927  -1.899  -0.970  0.00  0.00    -0.245 OA
ATOM     28  C   LIG    1        5.907  -0.819  -0.408  0.00  0.00    +0.337 C 
BRANCH  28  29
ATOM     29  O   LIG    1        6.960   0.024  -0.350  0.00  0.00    -0.477 OA
ATOM     30  H   LIG    1        6.739   0.918  -0.027  0.00  0.00    +0.295 HD
ENDBRANCH  28  29
ENDBRANCH  21  28
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 5