REMARK  Name = BDB011640
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.857   0.085   0.801  0.00  0.00    +0.169 A 
ATOM      2  C   LIG    1       -1.011  -0.950   0.446  0.00  0.00    +0.026 A 
ATOM      3  C   LIG    1       -1.373  -2.330   0.045  0.00  0.00    +0.050 C 
ATOM      4  C   LIG    1        0.295  -0.378   0.535  0.00  0.00    +0.171 A 
ATOM      5  N   LIG    1        0.227   0.900   0.949  0.00  0.00    -0.073 NA
ATOM      6  O   LIG    1       -1.111   1.178   1.114  0.00  0.00    -0.356 OA
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -5.345   1.711   1.154  0.00  0.00    +0.123 C 
ATOM      8  C   LIG    1       -6.014   0.575   0.369  0.00  0.00    +0.063 C 
ATOM      9  C   LIG    1       -5.094   0.101  -0.762  0.00  0.00    +0.127 C 
ATOM     10  O   LIG    1       -3.898  -0.464  -0.201  0.00  0.00    -0.365 OA
ATOM     11  C   LIG    1       -3.340   0.215   0.929  0.00  0.00    +0.190 C 
ATOM     12  C   LIG    1       -3.819   1.659   1.042  0.00  0.00    +0.071 C 
BRANCH   9  13
ATOM     13  C   LIG    1       -5.724  -0.954  -1.726  0.00  0.00    -0.011 C 
ATOM     14  C   LIG    1       -4.687  -1.340  -2.804  0.00  0.00    +0.013 C 
ATOM     15  C   LIG    1       -6.961  -0.378  -2.441  0.00  0.00    +0.013 C 
ATOM     16  C   LIG    1       -6.132  -2.238  -0.979  0.00  0.00    +0.013 C 
ENDBRANCH   9  13
BRANCH   7  18
ATOM     17  C   LIG    1       -5.575   4.067   1.475  0.00  0.00    +0.194 C 
ATOM     18  O   LIG    1       -5.846   2.950   0.637  0.00  0.00    -0.380 OA
ENDBRANCH   7  18
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1        1.592  -1.009   0.239  0.00  0.00    +0.270 C 
ATOM     20  N   LIG    1        2.660  -0.164   0.449  0.00  0.00    -0.274 N 
ATOM     21  H   LIG    1        2.409   0.804   0.661  0.00  0.00    +0.155 HD
ATOM     22  O   LIG    1        1.668  -2.158  -0.182  0.00  0.00    -0.268 OA
BRANCH  20  23
ATOM     23  C   LIG    1        3.998  -0.384   0.281  0.00  0.00    +0.121 A 
ATOM     24  C   LIG    1        4.936   0.778   0.288  0.00  0.00    +0.289 A 
ATOM     25  O   LIG    1        4.586   1.916   0.565  0.00  0.00    -0.264 OA
ATOM     26  N   LIG    1        6.214   0.296  -0.015  0.00  0.00    -0.245 N 
ATOM     27  N   LIG    1        6.137  -1.131  -0.026  0.00  0.00    -0.287 N 
ATOM     28  C   LIG    1        6.936  -1.772  -1.075  0.00  0.00    +0.170 C 
ATOM     29  C   LIG    1        4.779  -1.466   0.127  0.00  0.00    +0.059 A 
ATOM     30  C   LIG    1        4.383  -2.906   0.190  0.00  0.00    +0.067 C 
BRANCH  26  31
ATOM     31  C   LIG    1        7.428   0.858   0.617  0.00  0.00    +0.109 C 
ATOM     32  C   LIG    1        8.689   0.910  -0.286  0.00  0.00    +0.027 C 
ATOM     33  C   LIG    1        9.027   2.256   0.384  0.00  0.00    +0.004 C 
ATOM     34  C   LIG    1        7.517   2.410   0.645  0.00  0.00    +0.027 C 
ENDBRANCH  26  31
ENDBRANCH  20  23
ENDBRANCH   4  19
TORSDOF 6