REMARK  Name = BDB003689
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.756  -0.535  -0.174  0.00  0.00    +0.018 A 
ATOM      2  C   LIG    1        1.750   0.422   0.027  0.00  0.00    +0.022 A 
ATOM      3  C   LIG    1        0.367   0.075   0.060  0.00  0.00    +0.021 A 
ATOM      4  C   LIG    1       -0.679   1.014   0.261  0.00  0.00    +0.070 A 
ATOM      5  C   LIG    1       -2.043   0.624   0.287  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1       -2.361  -0.743   0.107  0.00  0.00    +0.094 A 
ATOM      7  N   LIG    1       -1.332  -1.693  -0.094  0.00  0.00    -0.131 N 
ATOM      8  O   LIG    1       -1.628  -2.934  -0.257  0.00  0.00    -0.163 OA
ATOM      9  C   LIG    1       -3.714  -1.152   0.130  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1       -4.748  -0.241   0.326  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -4.449   1.101   0.504  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -3.119   1.528   0.485  0.00  0.00    +0.011 A 
ATOM     13  C   LIG    1        0.024  -1.285  -0.117  0.00  0.00    +0.094 A 
ATOM     14  C   LIG    1        1.049  -2.237  -0.319  0.00  0.00    +0.030 A 
ATOM     15  C   LIG    1        2.394  -1.869  -0.347  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  17
ATOM     16  C   LIG    1        4.619   1.256  -0.028  0.00  0.00    +0.091 C 
ATOM     17  C   LIG    1        4.208  -0.181  -0.211  0.00  0.00    +0.160 C 
ATOM     18  O   LIG    1        5.044  -1.063  -0.390  0.00  0.00    -0.292 OA
ENDBRANCH   1  17
BRANCH   4  19
ATOM     19  C   LIG    1       -0.345   2.405   0.444  0.00  0.00    +0.100 C 
ATOM     20  N   LIG    1       -0.057   3.519   0.589  0.00  0.00    -0.191 NA
ENDBRANCH   4  19
TORSDOF 2