REMARK  Name = BDB000797
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.180   0.249  -0.259  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.636  -1.071  -0.294  0.00  0.00    +0.015 A 
ATOM      3  C   LIG    1        2.012  -1.333  -0.309  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1        2.957  -0.294  -0.300  0.00  0.00    +0.033 A 
ATOM      5  C   LIG    1        2.482   1.022  -0.277  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1        1.108   1.293  -0.266  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1       -2.112  -0.332   0.343  0.00  0.00    -0.307 N 
ATOM      8  H   LIG    1       -1.721  -1.114   0.850  0.00  0.00    +0.149 HD
ATOM      9  C   LIG    1       -1.269   0.588  -0.247  0.00  0.00    +0.244 C 
ATOM     10  O   LIG    1       -1.659   1.649  -0.722  0.00  0.00    -0.270 OA
BRANCH   7  11
ATOM     11  C   LIG    1       -3.548  -0.085   0.449  0.00  0.00    +0.096 C 
ATOM     12  C   LIG    1       -4.162  -1.014   1.497  0.00  0.00    +0.030 C 
BRANCH  11  13
ATOM     13  C   LIG    1       -4.252  -0.245  -0.916  0.00  0.00    +0.181 C 
BRANCH  13  15
ATOM     14  C   LIG    1       -5.995   1.364  -0.857  0.00  0.00    +0.194 C 
ATOM     15  O   LIG    1       -5.663  -0.019  -0.843  0.00  0.00    -0.381 OA
ENDBRANCH  13  15
ENDBRANCH  11  13
ENDBRANCH   7  11
ENDBRANCH   1   9
BRANCH   4  16
ATOM     16  N   LIG    1        4.320  -0.644  -0.277  0.00  0.00    -0.294 N 
ATOM     17  H   LIG    1        4.535  -1.409  -0.908  0.00  0.00    +0.154 HD
BRANCH  16  18
ATOM     18  C   LIG    1        5.405   0.081   0.086  0.00  0.00    +0.163 A 
ATOM     19  S   LIG    1        5.429   1.270   1.346  0.00  0.00    -0.045 S 
ATOM     20  C   LIG    1        7.085   1.501   1.090  0.00  0.00    +0.076 A 
ATOM     21 BR   LIG    1        8.159   2.744   2.051  0.00  0.00    -0.041 Br
ATOM     22  C   LIG    1        7.548   0.666   0.108  0.00  0.00    +0.136 A 
ATOM     23  N   LIG    1        6.587  -0.159  -0.449  0.00  0.00    -0.232 NA
ENDBRANCH  16  18
ENDBRANCH   4  16
TORSDOF 6