REMARK  Name = BDB018669
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.754  -0.238   0.055  0.00  0.00    -0.015 A 
ATOM      2  C   LIG    1       -0.784   0.627  -0.474  0.00  0.00    +0.032 A 
ATOM      3  C   LIG    1        0.536   0.201  -0.612  0.00  0.00    +0.037 A 
ATOM      4  N   LIG    1        1.492   1.067  -1.149  0.00  0.00    -0.285 N 
ATOM      5  H   LIG    1        1.199   1.936  -1.580  0.00  0.00    +0.155 HD
ATOM      6  C   LIG    1        2.834   0.790  -1.216  0.00  0.00    +0.225 C 
ATOM      7  C   LIG    1        3.324  -0.402  -0.391  0.00  0.00    +0.069 C 
ATOM      8  C   LIG    1        4.729  -0.846  -0.828  0.00  0.00    +0.132 C 
ATOM      9  N   LIG    1        5.688  -0.262   0.161  0.00  0.00    -0.268 N 
ATOM     10  C   LIG    1        4.929   0.624   1.072  0.00  0.00    +0.117 C 
ATOM     11  C   LIG    1        2.319  -1.554  -0.516  0.00  0.00    +0.054 C 
ATOM     12  C   LIG    1        3.527   0.035   1.068  0.00  0.00    +0.037 C 
ATOM     13  O   LIG    1        3.583   1.547  -1.828  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1        0.910  -1.096  -0.250  0.00  0.00    -0.025 A 
ATOM     15  C   LIG    1       -0.053  -1.968   0.263  0.00  0.00    +0.006 A 
ATOM     16  C   LIG    1       -1.372  -1.538   0.421  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  19
ATOM     17  C   LIG    1       -2.720   1.132   2.541  0.00  0.00    +0.044 C 
ATOM     18  C   LIG    1       -3.629   0.855   1.371  0.00  0.00    -0.042 A 
ATOM     19  C   LIG    1       -3.142   0.204   0.210  0.00  0.00    -0.004 A 
ATOM     20  C   LIG    1       -4.043  -0.029  -0.856  0.00  0.00    +0.027 A 
ATOM     21  C   LIG    1       -5.367   0.382  -0.741  0.00  0.00    +0.066 A 
ATOM     22  N   LIG    1       -5.967   0.018  -1.918  0.00  0.00    -0.277 N 
ATOM     23  H   LIG    1       -6.933   0.159  -2.188  0.00  0.00    +0.189 HD
ATOM     24  N   LIG    1       -5.146  -0.594  -2.789  0.00  0.00    -0.181 NA
ATOM     25  C   LIG    1       -5.868   1.026   0.391  0.00  0.00    +0.028 A 
ATOM     26  C   LIG    1       -3.978  -0.622  -2.141  0.00  0.00    +0.143 A 
ATOM     27  C   LIG    1       -4.974   1.253   1.442  0.00  0.00    +0.006 A 
ENDBRANCH   1  19
BRANCH   9  28
ATOM     28  C   LIG    1        7.001  -0.135  -0.072  0.00  0.00    +0.169 C 
ATOM     29  N   LIG    1        8.137  -0.032  -0.268  0.00  0.00    -0.174 NA
ENDBRANCH   9  28
TORSDOF 2