REMARK  Name = BDB018518
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.678   1.651  -0.155  0.00  0.00    -0.002 A 
ATOM      2  C   LIG    1        0.247   1.793   0.165  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1       -0.270   3.039   0.187  0.00  0.00    +0.098 A 
ATOM      4  N   LIG    1        0.486   4.171  -0.065  0.00  0.00    -0.318 N 
ATOM      5  C   LIG    1       -0.168   5.469  -0.002  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1        1.840   4.106  -0.358  0.00  0.00    +0.252 A 
ATOM      7  O   LIG    1        2.565   5.072  -0.578  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        2.423   2.743  -0.404  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        3.707  -2.039  -0.414  0.00  0.00    +0.214 A 
ATOM     10  N   LIG    1        3.984  -1.229   0.630  0.00  0.00    -0.221 NA
ATOM     11  C   LIG    1        3.317  -0.053   0.675  0.00  0.00    +0.123 A 
ATOM     12  C   LIG    1        2.382   0.359  -0.274  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        2.126  -0.506  -1.340  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        2.798  -1.725  -1.412  0.00  0.00    +0.068 A 
BRANCH   9  16
ATOM     15  C   LIG    1        5.250  -3.519   0.534  0.00  0.00    +0.279 C 
ATOM     16  O   LIG    1        4.346  -3.257  -0.534  0.00  0.00    -0.480 OA
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   2  17
ATOM     17  C   LIG    1       -0.586   0.659   0.444  0.00  0.00    +0.022 A 
ATOM     18  C   LIG    1       -1.816   0.396  -0.118  0.00  0.00    +0.123 A 
ATOM     19  N   LIG    1       -2.275  -0.788   0.423  0.00  0.00    -0.236 N 
ATOM     20  N   LIG    1       -1.382  -1.283   1.325  0.00  0.00    -0.174 NA
ATOM     21  C   LIG    1       -0.374  -0.412   1.327  0.00  0.00    +0.143 A 
BRANCH  19  22
ATOM     22  C   LIG    1       -3.485  -1.486   0.160  0.00  0.00    +0.100 A 
ATOM     23  C   LIG    1       -4.437  -1.013  -0.746  0.00  0.00    +0.149 A 
ATOM     24  F   LIG    1       -4.273   0.132  -1.423  0.00  0.00    -0.203 F 
ATOM     25  C   LIG    1       -5.615  -1.724  -0.981  0.00  0.00    +0.040 A 
ATOM     26  C   LIG    1       -5.857  -2.922  -0.312  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1       -4.919  -3.407   0.595  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -3.739  -2.696   0.832  0.00  0.00    +0.031 A 
ENDBRANCH  19  22
ENDBRANCH   2  17
TORSDOF 4