REMARK  Name = BDB020818
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.526  -1.426   0.403  0.00  0.00    +0.041 A 
ATOM      2  C   LIG    1        0.931  -0.113   0.034  0.00  0.00    +0.172 A 
ATOM      3  N   LIG    1        2.202   0.269   0.380  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        2.315   1.569  -0.018  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        1.207   1.948  -0.617  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        3.101  -0.575   1.038  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        2.726  -1.774   1.395  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.329   0.885  -0.582  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        1.441  -2.166   1.066  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1       -3.574  -2.301  -0.599  0.00  0.00    +0.077 C 
ATOM     11  C   LIG    1       -2.516  -2.758  -1.608  0.00  0.00    +0.027 C 
ATOM     12  C   LIG    1       -1.151  -2.104  -1.355  0.00  0.00    +0.037 C 
ATOM     13  C   LIG    1       -0.805  -1.952   0.111  0.00  0.00    -0.039 C 
ATOM     14  C   LIG    1       -1.685  -2.226   1.093  0.00  0.00    -0.021 C 
ATOM     15  C   LIG    1       -3.108  -2.640   0.830  0.00  0.00    +0.049 C 
BRANCH  10  18
ATOM     16  O   LIG    1       -5.957  -0.955   0.140  0.00  0.00    -0.270 OA
ATOM     17  C   LIG    1       -5.004  -0.299  -0.269  0.00  0.00    +0.244 C 
ATOM     18  N   LIG    1       -3.844  -0.872  -0.745  0.00  0.00    -0.308 N 
ATOM     19  H   LIG    1       -3.072  -0.270  -1.000  0.00  0.00    +0.149 HD
BRANCH  17  20
ATOM     20  C   LIG    1       -5.068   1.190  -0.282  0.00  0.00    +0.037 A 
ATOM     21  C   LIG    1       -6.329   1.794  -0.374  0.00  0.00    +0.013 A 
ATOM     22  C   LIG    1       -6.445   3.186  -0.390  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -5.303   3.980  -0.306  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -4.045   3.387  -0.197  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -3.924   1.995  -0.179  0.00  0.00    +0.013 A 
ENDBRANCH  17  20
ENDBRANCH  10  18
ENDBRANCH   1  13
BRANCH   6  26
ATOM     26  N   LIG    1        4.372  -0.142   1.338  0.00  0.00    -0.307 N 
ATOM     27  H   LIG    1        4.764  -0.771   2.037  0.00  0.00    +0.149 HD
BRANCH  26  28
ATOM     28  C   LIG    1        5.353  -0.019   0.258  0.00  0.00    +0.178 C 
BRANCH  28  29
ATOM     29  C   LIG    1        6.622   0.624   0.689  0.00  0.00    +0.122 A 
ATOM     30  O   LIG    1        6.692   1.980   0.555  0.00  0.00    -0.466 OA
ATOM     31  C   LIG    1        7.915   2.360   1.007  0.00  0.00    +0.195 A 
ATOM     32  C   LIG    1        8.633   1.266   1.429  0.00  0.00    +0.041 A 
ATOM     33  C   LIG    1        7.798   0.141   1.225  0.00  0.00    +0.046 A 
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH   6  26
TORSDOF 6