REMARK  Name = BDB019118
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.153  -0.129  -0.139  0.00  0.00    +0.202 A 
ATOM      2  N   LIG    1        0.739  -1.176   0.176  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1        2.100  -0.995   0.328  0.00  0.00    +0.096 A 
ATOM      4  C   LIG    1        2.598  -2.246   0.624  0.00  0.00    +0.166 A 
ATOM      5  N   LIG    1        1.585  -3.180   0.667  0.00  0.00    -0.224 NA
ATOM      6  C   LIG    1        2.589   0.328   0.158  0.00  0.00    +0.029 A 
ATOM      7  C   LIG    1        1.672   1.281  -0.116  0.00  0.00    +0.125 A 
ATOM      8  C   LIG    1        0.486  -2.505   0.408  0.00  0.00    +0.208 A 
ATOM      9  N   LIG    1        0.316   1.082  -0.273  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        3.999   0.739   0.280  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1        4.839   0.934  -0.827  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1        4.359   0.718  -2.234  0.00  0.00    +0.066 C 
ATOM     13  N   LIG    1        6.134   1.324  -0.702  0.00  0.00    -0.260 NA
ATOM     14  C   LIG    1        6.618   1.505   0.546  0.00  0.00    +0.111 A 
ATOM     15  C   LIG    1        5.867   1.331   1.693  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1        4.538   0.947   1.556  0.00  0.00    +0.012 A 
ENDBRANCH   6  10
BRANCH   1  17
ATOM     17  N   LIG    1       -1.492  -0.422  -0.293  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1       -1.728  -1.354  -0.611  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -2.423   0.588  -0.774  0.00  0.00    +0.146 C 
BRANCH  19  21
ATOM     20  C   LIG    1       -4.708   0.280   0.323  0.00  0.00    +0.127 A 
ATOM     21  C   LIG    1       -3.829   0.045  -0.750  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1       -4.269  -0.746  -1.818  0.00  0.00    +0.132 A 
ATOM     23  F   LIG    1       -3.436  -1.010  -2.836  0.00  0.00    -0.205 F 
ATOM     24  C   LIG    1       -5.549  -1.285  -1.851  0.00  0.00    +0.039 A 
ATOM     25  C   LIG    1       -6.419  -1.040  -0.794  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1       -6.000  -0.263   0.289  0.00  0.00    +0.046 A 
BRANCH  20  28
ATOM     27  C   LIG    1       -5.058   1.274   2.467  0.00  0.00    +0.277 C 
ATOM     28  O   LIG    1       -4.216   1.048   1.344  0.00  0.00    -0.495 OA
ENDBRANCH  20  28
ENDBRANCH  19  21
ENDBRANCH  17  19
ENDBRANCH   1  17
BRANCH   4  29
ATOM     29  C   LIG    1        3.955  -2.622   0.885  0.00  0.00    +0.121 C 
ATOM     30  N   LIG    1        5.057  -2.913   1.105  0.00  0.00    -0.189 NA
ENDBRANCH   4  29
TORSDOF 6