REMARK  Name = BDB014585
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.715  -0.080  -3.156  0.00  0.00    +0.136 C 
ENDROOT
BRANCH   1   4
ATOM      2  O   LIG    1        1.251  -0.574  -1.151  0.00  0.00    -0.276 OA
ATOM      3  C   LIG    1        1.496   0.226  -2.043  0.00  0.00    +0.213 C 
ATOM      4  N   LIG    1        0.597   0.552  -3.035  0.00  0.00    -0.313 N 
ATOM      5  H   LIG    1        0.879   1.178  -3.779  0.00  0.00    +0.149 HD
BRANCH   3   6
ATOM      6  C   LIG    1        2.809   0.977  -2.181  0.00  0.00    +0.100 C 
BRANCH   6   7
ATOM      7  C   LIG    1        3.837   0.764  -1.070  0.00  0.00    +0.006 C 
ATOM      8  C   LIG    1        4.365  -0.680  -0.930  0.00  0.00    +0.039 C 
ATOM      9  C   LIG    1        4.844  -0.674   0.489  0.00  0.00    -0.044 A 
ATOM     10  C   LIG    1        4.286   0.391   1.205  0.00  0.00    -0.044 A 
ATOM     11  C   LIG    1        4.560   0.569   2.550  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        5.419  -0.336   3.177  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1        5.979  -1.405   2.459  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        5.687  -1.583   1.105  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        3.376   1.205   0.337  0.00  0.00    +0.039 C 
ENDBRANCH   6   7
ENDBRANCH   3   6
ENDBRANCH   1   4
BRANCH   1  16
ATOM     16  C   LIG    1       -1.841   0.728  -2.484  0.00  0.00    +0.145 C 
BRANCH  16  17
ATOM     17  O   LIG    1       -1.650   2.126  -2.763  0.00  0.00    -0.389 OA
ATOM     18  H   LIG    1       -0.784   2.351  -2.378  0.00  0.00    +0.210 HD
ENDBRANCH  16  17
BRANCH  16  19
ATOM     19  C   LIG    1       -1.945   0.509  -0.959  0.00  0.00    +0.117 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -2.358  -0.860  -0.606  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1       -3.823  -1.036  -0.636  0.00  0.00    +0.120 C 
ATOM     22  C   LIG    1       -4.564  -0.478   0.562  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1       -3.901  -0.247   1.781  0.00  0.00    -0.042 A 
ATOM     24  C   LIG    1       -4.618   0.238   2.883  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -5.989   0.471   2.783  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -6.653   0.226   1.584  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -2.411  -0.459   1.886  0.00  0.00    +0.051 C 
ATOM     28  C   LIG    1       -5.946  -0.250   0.479  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -1.848  -1.272   0.713  0.00  0.00    +0.089 C 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 7