REMARK  Name = BDB000169
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.864   0.002  -1.631  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1       -0.601  -1.292  -1.121  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1        0.748  -1.516  -0.609  0.00  0.00    +0.162 C 
ATOM      4  C   LIG    1        1.565  -1.894  -1.836  0.00  0.00    +0.033 C 
ATOM      5  C   LIG    1        0.540  -2.558  -2.765  0.00  0.00    +0.021 C 
ATOM      6  C   LIG    1       -0.826  -2.335  -2.104  0.00  0.00    +0.109 C 
ATOM      7  O   LIG    1       -0.008   0.645  -2.233  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        1.248  -0.393   0.326  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1        2.614  -0.293   0.443  0.00  0.00    -0.307 N 
ATOM     10  H   LIG    1        3.220  -0.953  -0.025  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1        0.473   0.297   0.992  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1        3.223   0.661   1.339  0.00  0.00    +0.104 C 
ATOM     13  C   LIG    1        4.685   0.863   1.058  0.00  0.00    -0.024 A 
ATOM     14  C   LIG    1        5.417   0.905   2.251  0.00  0.00    -0.042 A 
ATOM     15  C   LIG    1        6.785   1.122   2.245  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1        7.423   1.292   1.015  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        6.692   1.261  -0.182  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        4.516   0.753   3.437  0.00  0.00    +0.037 C 
ATOM     19  C   LIG    1        5.311   1.054  -0.166  0.00  0.00    +0.006 A 
ATOM     20  C   LIG    1        3.268   0.139   2.790  0.00  0.00    +0.032 C 
ENDBRANCH   9  12
ENDBRANCH   3   8
BRANCH   1  21
ATOM     21  C   LIG    1       -2.350   0.440  -1.464  0.00  0.00    +0.164 C 
BRANCH  21  23
ATOM     22  C   LIG    1       -3.496  -1.156   0.061  0.00  0.00    +0.230 C 
ATOM     23  N   LIG    1       -2.777   0.007  -0.124  0.00  0.00    -0.302 N 
ATOM     24  H   LIG    1       -2.164   0.290   0.634  0.00  0.00    +0.150 HD
ATOM     25  O   LIG    1       -3.974  -1.810  -0.865  0.00  0.00    -0.274 OA
BRANCH  22  26
ATOM     26  C   LIG    1       -3.639  -1.575   1.541  0.00  0.00    +0.137 C 
ATOM     27  C   LIG    1       -2.378  -2.321   1.970  0.00  0.00    +0.034 C 
BRANCH  26  29
ATOM     28  C   LIG    1       -6.058  -1.718   1.689  0.00  0.00    +0.101 C 
ATOM     29  N   LIG    1       -4.806  -2.467   1.722  0.00  0.00    -0.309 NA
ATOM     30  H   LIG    1       -4.808  -3.121   0.933  0.00  0.00    +0.122 HD
ENDBRANCH  26  29
ENDBRANCH  22  26
ENDBRANCH  21  23
BRANCH  21  31
ATOM     31  C   LIG    1       -2.631   1.960  -1.682  0.00  0.00    -0.011 C 
ATOM     32  C   LIG    1       -2.354   2.365  -3.145  0.00  0.00    +0.013 C 
ATOM     33  C   LIG    1       -1.796   2.850  -0.742  0.00  0.00    +0.013 C 
ATOM     34  C   LIG    1       -4.127   2.248  -1.412  0.00  0.00    +0.013 C 
ENDBRANCH  21  31
ENDBRANCH   1  21
TORSDOF 7