REMARK  Name = BDB039297
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.264  -1.305   0.882  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1        1.226  -0.320   1.269  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        0.227  -0.084   0.107  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.389  -1.306  -0.462  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.693  -2.255  -0.818  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        1.704  -2.547   0.316  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        5.927   0.288  -0.345  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1        5.404   0.721   0.827  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1        4.219   0.171   1.181  0.00  0.00    +0.235 A 
ATOM     10  F   LIG    1        3.740   0.571   2.372  0.00  0.00    -0.182 F 
ATOM     11  C   LIG    1        3.485  -0.786   0.439  0.00  0.00    +0.085 A 
ATOM     12  C   LIG    1        4.097  -1.196  -0.752  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        5.322  -0.659  -1.155  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1        9.026   2.428  -0.018  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        7.724   1.835   0.129  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        7.199   1.960   0.991  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        7.241   0.886  -0.746  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        7.817   0.532  -1.768  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -1.371  -1.936   0.434  0.00  0.00    +0.122 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.650  -1.143   0.559  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -3.589  -1.145  -0.480  0.00  0.00    +0.152 A 
ATOM     22  F   LIG    1       -3.369  -1.886  -1.579  0.00  0.00    -0.203 F 
ATOM     23  C   LIG    1       -4.765  -0.402  -0.388  0.00  0.00    +0.112 A 
ATOM     24  N   LIG    1       -5.698  -0.431  -1.426  0.00  0.00    -0.277 N 
ATOM     25  H   LIG    1       -5.549  -1.032  -2.227  0.00  0.00    +0.155 HD
ATOM     26  C   LIG    1       -6.818   0.355  -1.418  0.00  0.00    +0.261 C 
ATOM     27  C   LIG    1       -6.919   1.342  -0.290  0.00  0.00    +0.186 C 
ATOM     28  C   LIG    1       -8.215   2.090  -0.058  0.00  0.00    +0.062 C 
ATOM     29  O   LIG    1       -6.187   1.045   0.930  0.00  0.00    -0.475 OA
ATOM     30  C   LIG    1       -7.026   2.817  -0.615  0.00  0.00    +0.062 C 
ATOM     31  O   LIG    1       -7.656   0.300  -2.313  0.00  0.00    -0.271 OA
ATOM     32  C   LIG    1       -5.022   0.346   0.757  0.00  0.00    +0.146 A 
ATOM     33  C   LIG    1       -4.109   0.350   1.810  0.00  0.00    +0.048 A 
ATOM     34  C   LIG    1       -2.924  -0.386   1.710  0.00  0.00    +0.011 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4