REMARK  Name = BDB040886
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.766  -0.564  -0.103  0.00  0.00    -0.247 N 
ATOM      2  C   LIG    1       -1.819   0.002   0.726  0.00  0.00    +0.130 A 
ATOM      3  N   LIG    1       -1.130  -0.525   1.831  0.00  0.00    -0.255 N 
ATOM      4  C   LIG    1       -0.119   0.292   2.405  0.00  0.00    +0.242 C 
ATOM      5  C   LIG    1        0.488   1.381   1.495  0.00  0.00    +0.172 C 
ATOM      6  C   LIG    1       -0.657   2.217   0.886  0.00  0.00    +0.083 C 
ATOM      7  O   LIG    1        0.326   0.098   3.539  0.00  0.00    -0.273 OA
ATOM      8  C   LIG    1       -1.675   1.308   0.280  0.00  0.00    +0.025 A 
ATOM      9  C   LIG    1       -2.741   1.510  -0.625  0.00  0.00    +0.066 A 
ATOM     10  C   LIG    1       -3.199   2.756  -1.292  0.00  0.00    +0.068 C 
ATOM     11  N   LIG    1       -3.394   0.370  -0.857  0.00  0.00    -0.174 NA
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1       -0.193   3.242  -0.139  0.00  0.00    -0.037 A 
ATOM     13  C   LIG    1       -0.190   4.603   0.221  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1        0.248   5.580  -0.676  0.00  0.00    +0.038 A 
ATOM     15  C   LIG    1        0.693   5.205  -1.936  0.00  0.00    +0.123 A 
ATOM     16  F   LIG    1        1.111   6.142  -2.796  0.00  0.00    -0.205 F 
ATOM     17  C   LIG    1        0.711   3.870  -2.316  0.00  0.00    +0.038 A 
ATOM     18  C   LIG    1        0.273   2.892  -1.420  0.00  0.00    +0.007 A 
ENDBRANCH   6  12
BRANCH   5  19
ATOM     19  N   LIG    1        1.333   0.675   0.516  0.00  0.00    -0.299 N 
ATOM     20  H   LIG    1        0.875  -0.037  -0.036  0.00  0.00    +0.150 HD
ATOM     21  C   LIG    1        2.696   0.576   0.693  0.00  0.00    +0.245 C 
ATOM     22  O   LIG    1        3.312   1.177   1.564  0.00  0.00    -0.270 OA
BRANCH  21  23
ATOM     23  C   LIG    1        3.409  -0.351  -0.228  0.00  0.00    +0.037 A 
ATOM     24  C   LIG    1        4.590  -0.957   0.221  0.00  0.00    +0.016 A 
ATOM     25  C   LIG    1        5.293  -1.847  -0.601  0.00  0.00    -0.050 A 
ATOM     26  C   LIG    1        6.572  -2.469  -0.124  0.00  0.00    +0.044 C 
ATOM     27  C   LIG    1        4.818  -2.099  -1.894  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1        3.651  -1.485  -2.353  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        2.946  -0.611  -1.524  0.00  0.00    +0.013 A 
ENDBRANCH  21  23
ENDBRANCH   5  19
BRANCH   1  30
ATOM     30  C   LIG    1       -3.053  -1.954  -0.468  0.00  0.00    +0.106 C 
ATOM     31  C   LIG    1       -4.131  -2.589   0.411  0.00  0.00    +0.032 C 
BRANCH  30  33
ATOM     32  C   LIG    1       -2.082  -4.178  -1.280  0.00  0.00    +0.006 C 
ATOM     33  C   LIG    1       -1.786  -2.798  -0.709  0.00  0.00    +0.023 C 
ENDBRANCH  30  33
ENDBRANCH   1  30
BRANCH   3  34
ATOM     34  C   LIG    1       -1.620  -1.604   2.684  0.00  0.00    +0.112 C 
ATOM     35  C   LIG    1       -2.768  -1.158   3.579  0.00  0.00    +0.025 C 
ENDBRANCH   3  34
TORSDOF 6