REMARK  Name = BDB042616
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.817   0.300   1.596  0.00  0.00    +0.062 C 
ENDROOT
BRANCH   1   9
ATOM      2  C   LIG    1       -6.463   1.755  -0.597  0.00  0.00    +0.044 C 
ATOM      3  C   LIG    1       -6.340   0.255  -0.613  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -5.212  -0.417  -0.095  0.00  0.00    -0.008 A 
ATOM      5  C   LIG    1       -5.172  -1.826  -0.144  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1       -3.991  -2.540   0.401  0.00  0.00    +0.257 A 
ATOM      7  N   LIG    1       -2.989  -1.756   0.924  0.00  0.00    -0.326 N 
ATOM      8  H   LIG    1       -2.204  -2.269   1.308  0.00  0.00    +0.169 HD
ATOM      9  C   LIG    1       -3.010  -0.383   0.973  0.00  0.00    +0.020 A 
ATOM     10  O   LIG    1       -3.908  -3.763   0.385  0.00  0.00    -0.267 OA
ATOM     11  C   LIG    1       -6.223  -2.565  -0.693  0.00  0.00    +0.052 A 
ATOM     12  C   LIG    1       -7.321  -1.891  -1.197  0.00  0.00    +0.124 A 
ATOM     13  F   LIG    1       -8.336  -2.585  -1.727  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1       -4.068   0.294   0.498  0.00  0.00    +0.030 A 
ATOM     15  C   LIG    1       -7.390  -0.501  -1.163  0.00  0.00    +0.042 A 
ENDBRANCH   1   9
BRANCH   1  16
ATOM     16  C   LIG    1       -0.600   0.271   0.669  0.00  0.00    +0.102 C 
BRANCH  16  17
ATOM     17  C   LIG    1        0.596   0.970   1.295  0.00  0.00    +0.216 C 
ATOM     18  N   LIG    1        1.789   0.909   0.591  0.00  0.00    -0.298 N 
ATOM     19  C   LIG    1        2.987   1.532   1.163  0.00  0.00    +0.126 C 
ATOM     20  C   LIG    1        4.262   0.733   0.861  0.00  0.00    +0.126 C 
ATOM     21  N   LIG    1        4.426   0.426  -0.563  0.00  0.00    -0.298 N 
ATOM     22  C   LIG    1        5.602  -0.050  -1.122  0.00  0.00    +0.219 C 
ATOM     23  O   LIG    1        5.733  -0.298  -2.315  0.00  0.00    -0.275 OA
ATOM     24  C   LIG    1        3.259   0.621  -1.423  0.00  0.00    +0.126 C 
ATOM     25  C   LIG    1        1.949   0.252  -0.715  0.00  0.00    +0.126 C 
ATOM     26  O   LIG    1        0.503   1.560   2.372  0.00  0.00    -0.276 OA
BRANCH  22  27
ATOM     27  C   LIG    1        6.746  -0.276  -0.193  0.00  0.00    +0.075 C 
ATOM     28  C   LIG    1        8.167  -0.238  -0.713  0.00  0.00    +0.013 C 
ATOM     29  C   LIG    1        7.669   0.868   0.165  0.00  0.00    +0.013 C 
ENDBRANCH  22  27
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 4