REMARK  Name = BDB016220
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.018  -2.670   1.123  0.00  0.00    +0.052 C 
ATOM      2  C   LIG    1       -1.158  -2.029   0.335  0.00  0.00    +0.179 C 
ATOM      3  O   LIG    1       -0.848  -0.639   0.243  0.00  0.00    -0.486 OA
ATOM      4  C   LIG    1       -1.379   0.014  -0.836  0.00  0.00    +0.154 A 
ATOM      5  C   LIG    1       -2.662  -0.234  -1.364  0.00  0.00    +0.076 A 
ATOM      6  C   LIG    1       -3.089   0.503  -2.484  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -2.283   1.476  -3.066  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -1.030   1.737  -2.529  0.00  0.00    +0.017 A 
ATOM      9  N   LIG    1       -3.616  -1.153  -0.883  0.00  0.00    -0.282 N 
ATOM     10  H   LIG    1       -4.498  -1.195  -1.384  0.00  0.00    +0.155 HD
ATOM     11  C   LIG    1       -3.626  -2.026   0.155  0.00  0.00    +0.221 C 
ATOM     12  O   LIG    1       -4.646  -2.694   0.343  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -0.567   1.025  -1.409  0.00  0.00    +0.080 A 
ATOM     14  C   LIG    1       -2.462  -2.151   1.087  0.00  0.00    +0.140 C 
ENDROOT
BRANCH  13  15
ATOM     15  C   LIG    1        0.810   1.398  -0.921  0.00  0.00    +0.252 C 
ATOM     16  N   LIG    1        1.131   1.012   0.365  0.00  0.00    -0.281 N 
ATOM     17  H   LIG    1        0.420   0.477   0.853  0.00  0.00    +0.155 HD
ATOM     18  O   LIG    1        1.541   2.030  -1.679  0.00  0.00    -0.270 OA
BRANCH  16  19
ATOM     19  C   LIG    1        2.330   1.231   1.070  0.00  0.00    +0.034 A 
ATOM     20  C   LIG    1        3.425   1.928   0.557  0.00  0.00    +0.023 A 
ATOM     21  C   LIG    1        4.580   2.098   1.327  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        4.651   1.573   2.615  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        3.564   0.877   3.137  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        2.410   0.707   2.368  0.00  0.00    +0.023 A 
ENDBRANCH  16  19
ENDBRANCH  13  15
TORSDOF 2