REMARK  Name = BDB042612
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.308   1.331   0.161  0.00  0.00    +0.102 C 
ENDROOT
BRANCH   1   3
ATOM      2  O   LIG    1        0.432   3.128   1.486  0.00  0.00    -0.276 OA
ATOM      3  C   LIG    1        0.196   2.098   0.856  0.00  0.00    +0.216 C 
ATOM      4  N   LIG    1       -1.088   1.567   0.759  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1       -1.480   0.564  -0.237  0.00  0.00    +0.126 C 
ATOM      6  C   LIG    1       -2.687  -0.277   0.206  0.00  0.00    +0.126 C 
ATOM      7  N   LIG    1       -3.786   0.539   0.724  0.00  0.00    -0.298 N 
ATOM      8  C   LIG    1       -5.124   0.120   0.717  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1       -5.965   0.699   1.416  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -3.392   1.536   1.725  0.00  0.00    +0.126 C 
ATOM     11  C   LIG    1       -2.194   2.380   1.279  0.00  0.00    +0.126 C 
BRANCH   8  12
ATOM     12  C   LIG    1       -5.496  -1.072  -0.215  0.00  0.00    +0.075 C 
ATOM     13  C   LIG    1       -5.231  -2.507   0.322  0.00  0.00    +0.013 C 
ATOM     14  C   LIG    1       -6.704  -2.559   0.762  0.00  0.00    +0.001 C 
ATOM     15  C   LIG    1       -6.995  -1.484  -0.297  0.00  0.00    +0.013 C 
ENDBRANCH   8  12
ENDBRANCH   1   3
BRANCH   1  16
ATOM     16  C   LIG    1        2.674   1.980   0.395  0.00  0.00    +0.062 C 
BRANCH  16  17
ATOM     17  C   LIG    1        3.783   1.194  -0.260  0.00  0.00    +0.020 A 
ATOM     18  N   LIG    1        3.879   1.270  -1.631  0.00  0.00    -0.326 N 
ATOM     19  H   LIG    1        3.234   1.850  -2.156  0.00  0.00    +0.169 HD
ATOM     20  C   LIG    1        4.828   0.625  -2.395  0.00  0.00    +0.257 A 
ATOM     21  O   LIG    1        4.852   0.728  -3.616  0.00  0.00    -0.267 OA
ATOM     22  C   LIG    1        5.812  -0.203  -1.659  0.00  0.00    +0.049 A 
ATOM     23  C   LIG    1        5.722  -0.275  -0.259  0.00  0.00    -0.011 A 
ATOM     24  C   LIG    1        6.649  -1.051   0.447  0.00  0.00    +0.011 A 
ATOM     25  C   LIG    1        7.647  -1.743  -0.244  0.00  0.00    +0.039 A 
ATOM     26  C   LIG    1        7.717  -1.657  -1.633  0.00  0.00    +0.124 A 
ATOM     27  F   LIG    1        8.678  -2.326  -2.283  0.00  0.00    -0.205 F 
ATOM     28  C   LIG    1        6.809  -0.893  -2.352  0.00  0.00    +0.052 A 
ATOM     29  C   LIG    1        4.664   0.460   0.439  0.00  0.00    +0.030 A 
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 4