REMARK  Name = BDB000795
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.804   0.353   0.639  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.341   1.084   0.964  0.00  0.00    +0.015 A 
ATOM      3  C   LIG    1        1.616   0.541   0.751  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1        1.780  -0.744   0.223  0.00  0.00    +0.033 A 
ATOM      5  C   LIG    1        0.616  -1.472  -0.084  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1       -0.662  -0.937   0.123  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1       -2.264   1.868   1.708  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -2.138   0.971   0.882  0.00  0.00    +0.244 C 
ATOM      9  N   LIG    1       -3.180   0.496   0.115  0.00  0.00    -0.309 N 
ATOM     10  H   LIG    1       -2.962   0.007  -0.745  0.00  0.00    +0.149 HD
BRANCH   9  11
ATOM     11  C   LIG    1       -4.471   1.161   0.123  0.00  0.00    +0.132 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -5.555   0.252  -0.448  0.00  0.00    +0.174 C 
BRANCH  12  13
ATOM     13  O   LIG    1       -5.207  -0.138  -1.778  0.00  0.00    -0.393 OA
ATOM     14  H   LIG    1       -5.950  -0.667  -2.117  0.00  0.00    +0.209 HD
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   9  11
ENDBRANCH   1   8
BRANCH   4  15
ATOM     15  N   LIG    1        3.027  -1.348  -0.020  0.00  0.00    -0.294 N 
ATOM     16  H   LIG    1        2.969  -2.294  -0.375  0.00  0.00    +0.154 HD
BRANCH  15  17
ATOM     17  C   LIG    1        4.276  -0.857   0.161  0.00  0.00    +0.163 A 
ATOM     18  S   LIG    1        5.623  -1.884  -0.221  0.00  0.00    -0.045 S 
ATOM     19  C   LIG    1        6.686  -0.648   0.234  0.00  0.00    +0.076 A 
ATOM     20 BR   LIG    1        8.583  -0.788   0.181  0.00  0.00    -0.041 Br
ATOM     21  C   LIG    1        5.997   0.462   0.645  0.00  0.00    +0.136 A 
ATOM     22  N   LIG    1        4.621   0.336   0.600  0.00  0.00    -0.232 NA
ENDBRANCH  15  17
ENDBRANCH   4  15
TORSDOF 6