REMARK  Name = BDB042466
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.152   1.828   0.984  0.00  0.00    +0.085 C 
ENDROOT
BRANCH   1   5
ATOM      2  N   LIG    1       -3.724  -0.091   0.261  0.00  0.00    -0.326 N 
ATOM      3  C   LIG    1       -2.554  -0.945  -0.006  0.00  0.00    +0.120 C 
ATOM      4  C   LIG    1       -1.261  -0.097  -0.042  0.00  0.00    +0.103 C 
ATOM      5  N   LIG    1       -0.963   0.624   1.218  0.00  0.00    -0.299 NA
ATOM      6  C   LIG    1       -2.208   0.940   1.953  0.00  0.00    +0.103 C 
ATOM      7  C   LIG    1       -3.481   1.103   1.089  0.00  0.00    +0.120 C 
BRANCH   2  11
ATOM      8  C   LIG    1       -7.558  -1.281  -0.880  0.00  0.00    +0.140 A 
ATOM      9  N   LIG    1       -6.572  -2.204  -0.875  0.00  0.00    -0.243 NA
ATOM     10  C   LIG    1       -5.340  -1.774  -0.494  0.00  0.00    +0.135 A 
ATOM     11  C   LIG    1       -5.002  -0.470  -0.108  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1       -6.069   0.437  -0.138  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1       -7.354   0.042  -0.522  0.00  0.00    +0.041 A 
BRANCH   8  15
ATOM     14  N   LIG    1       -9.925  -2.070  -1.606  0.00  0.00    -0.189 NA
ATOM     15  C   LIG    1       -8.857  -1.741  -1.285  0.00  0.00    +0.119 C 
ENDBRANCH   8  15
ENDBRANCH   2  11
ENDBRANCH   1   5
BRANCH   1  16
ATOM     16  C   LIG    1        1.242   1.543   0.406  0.00  0.00    +0.021 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.092   0.659   1.326  0.00  0.00    +0.054 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.471   0.421   0.759  0.00  0.00    +0.020 A 
ATOM     19  N   LIG    1        4.357   1.473   0.805  0.00  0.00    -0.326 N 
ATOM     20  H   LIG    1        4.072   2.360   1.204  0.00  0.00    +0.169 HD
ATOM     21  C   LIG    1        5.655   1.436   0.344  0.00  0.00    +0.257 A 
ATOM     22  O   LIG    1        6.394   2.412   0.411  0.00  0.00    -0.267 OA
ATOM     23  C   LIG    1        6.109   0.149  -0.236  0.00  0.00    +0.049 A 
ATOM     24  C   LIG    1        5.210  -0.929  -0.276  0.00  0.00    -0.011 A 
ATOM     25  C   LIG    1        5.628  -2.149  -0.820  0.00  0.00    +0.011 A 
ATOM     26  C   LIG    1        6.929  -2.281  -1.315  0.00  0.00    +0.039 A 
ATOM     27  C   LIG    1        7.803  -1.198  -1.264  0.00  0.00    +0.124 A 
ATOM     28  F   LIG    1        9.047  -1.338  -1.742  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1        7.409   0.020  -0.729  0.00  0.00    +0.052 A 
ATOM     30  C   LIG    1        3.852  -0.761   0.249  0.00  0.00    +0.030 A 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 6