REMARK  Name = BDB042619
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.183   1.155  -0.216  0.00  0.00    +0.102 C 
ENDROOT
BRANCH   1   7
ATOM      2  C   LIG    1       -5.199  -0.175   0.400  0.00  0.00    +0.218 C 
ATOM      3  N   LIG    1       -3.964   0.368   0.069  0.00  0.00    -0.298 N 
ATOM      4  C   LIG    1       -2.936  -0.264  -0.766  0.00  0.00    +0.126 C 
ATOM      5  C   LIG    1       -1.510   0.066  -0.295  0.00  0.00    +0.126 C 
ATOM      6  N   LIG    1       -1.265   1.507  -0.171  0.00  0.00    -0.298 N 
ATOM      7  C   LIG    1       -0.008   2.095  -0.144  0.00  0.00    +0.216 C 
ATOM      8  O   LIG    1        0.142   3.314  -0.072  0.00  0.00    -0.276 OA
ATOM      9  C   LIG    1       -2.449   2.364  -0.034  0.00  0.00    +0.126 C 
ATOM     10  C   LIG    1       -3.604   1.654   0.681  0.00  0.00    +0.126 C 
ATOM     11  O   LIG    1       -5.933   0.381   1.220  0.00  0.00    -0.275 OA
BRANCH   2  13
ATOM     12  C   LIG    1       -5.994  -1.196  -1.760  0.00  0.00    +0.017 C 
ATOM     13  C   LIG    1       -5.644  -1.465  -0.298  0.00  0.00    +0.069 C 
ATOM     14  C   LIG    1       -6.858  -2.072   0.413  0.00  0.00    +0.017 C 
ENDBRANCH   2  13
ENDBRANCH   1   7
BRANCH   1  15
ATOM     15  C   LIG    1        2.504   1.904  -0.025  0.00  0.00    +0.062 C 
BRANCH  15  16
ATOM     16  C   LIG    1        3.685   0.965  -0.043  0.00  0.00    +0.020 A 
ATOM     17  N   LIG    1        4.049   0.440  -1.263  0.00  0.00    -0.326 N 
ATOM     18  H   LIG    1        3.543   0.702  -2.101  0.00  0.00    +0.169 HD
ATOM     19  C   LIG    1        5.099  -0.427  -1.469  0.00  0.00    +0.257 A 
ATOM     20  O   LIG    1        5.366  -0.866  -2.582  0.00  0.00    -0.267 OA
ATOM     21  C   LIG    1        5.886  -0.804  -0.270  0.00  0.00    +0.049 A 
ATOM     22  C   LIG    1        5.521  -0.264   0.974  0.00  0.00    -0.011 A 
ATOM     23  C   LIG    1        6.258  -0.611   2.112  0.00  0.00    +0.011 A 
ATOM     24  C   LIG    1        7.341  -1.486   2.000  0.00  0.00    +0.039 A 
ATOM     25  C   LIG    1        7.684  -2.011   0.756  0.00  0.00    +0.124 A 
ATOM     26  F   LIG    1        8.723  -2.850   0.663  0.00  0.00    -0.205 F 
ATOM     27  C   LIG    1        6.968  -1.680  -0.385  0.00  0.00    +0.052 A 
ATOM     28  C   LIG    1        4.380   0.651   1.062  0.00  0.00    +0.030 A 
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 4