REMARK  Name = BDB018495
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.413  -2.460   0.835  0.00  0.00    -0.002 A 
ATOM      2  C   LIG    1       -0.024  -2.536   0.523  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1       -0.573  -3.758   0.374  0.00  0.00    +0.098 A 
ATOM      4  N   LIG    1        0.152  -4.928   0.516  0.00  0.00    -0.318 N 
ATOM      5  C   LIG    1       -0.539  -6.198   0.358  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1        1.504  -4.927   0.837  0.00  0.00    +0.252 A 
ATOM      7  O   LIG    1        2.193  -5.929   0.997  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        2.129  -3.590   0.983  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        3.529   1.179   1.100  0.00  0.00    +0.215 A 
ATOM     10  N   LIG    1        3.115   0.763  -0.115  0.00  0.00    -0.221 NA
ATOM     11  C   LIG    1        2.445  -0.412  -0.156  0.00  0.00    +0.123 A 
ATOM     12  C   LIG    1        2.168  -1.199   0.961  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        2.619  -0.737   2.200  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        3.311   0.470   2.271  0.00  0.00    +0.068 A 
BRANCH   9  15
ATOM     15  O   LIG    1        4.218   2.368   1.228  0.00  0.00    -0.477 OA
BRANCH  15  17
ATOM     16  C   LIG    1        5.088   4.375   0.283  0.00  0.00    +0.048 C 
ATOM     17  C   LIG    1        4.345   3.082  -0.002  0.00  0.00    +0.227 C 
ENDBRANCH  15  17
ENDBRANCH   9  15
ENDBRANCH   1  12
BRANCH   2  18
ATOM     18  C   LIG    1       -0.825  -1.356   0.388  0.00  0.00    +0.022 A 
ATOM     19  C   LIG    1       -1.603  -1.016  -0.696  0.00  0.00    +0.123 A 
ATOM     20  N   LIG    1       -2.178   0.215  -0.426  0.00  0.00    -0.239 N 
ATOM     21  N   LIG    1       -1.842   0.628   0.819  0.00  0.00    -0.174 NA
ATOM     22  C   LIG    1       -1.005  -0.298   1.288  0.00  0.00    +0.143 A 
BRANCH  20  23
ATOM     23  C   LIG    1       -3.042   0.986  -1.262  0.00  0.00    +0.077 A 
ATOM     24  C   LIG    1       -3.431   2.315  -0.976  0.00  0.00    +0.063 A 
ATOM     25  C   LIG    1       -4.230   3.009  -1.913  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1       -4.661   2.412  -3.095  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -4.295   1.104  -3.369  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -3.493   0.399  -2.467  0.00  0.00    +0.028 A 
BRANCH  24  29
ATOM     29  C   LIG    1       -3.099   3.156   0.217  0.00  0.00    +0.259 C 
ATOM     30  N   LIG    1       -3.381   2.573   1.477  0.00  0.00    -0.219 N 
ATOM     31  H   LIG    1       -3.122   1.579   1.533  0.00  0.00    +0.167 HD
ATOM     32  O   LIG    1       -2.755   4.319   0.058  0.00  0.00    -0.269 OA
BRANCH  30  33
ATOM     33  C   LIG    1       -3.060   3.371   2.497  0.00  0.00    +0.173 C 
ATOM     34  N   LIG    1       -2.798   4.003   3.431  0.00  0.00    -0.174 NA
ENDBRANCH  30  33
ENDBRANCH  24  29
ENDBRANCH  20  23
ENDBRANCH   2  18
TORSDOF 7