REMARK  Name = BDB000798
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.019   0.904  -0.560  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.244  -0.397  -1.011  0.00  0.00    +0.015 A 
ATOM      3  C   LIG    1        1.540  -0.917  -0.988  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1        2.629  -0.150  -0.535  0.00  0.00    +0.033 A 
ATOM      5  C   LIG    1        2.379   1.161  -0.106  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1        1.085   1.693  -0.127  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1   8
ATOM      7  N   LIG    1       -2.320   0.961   0.243  0.00  0.00    -0.298 N 
ATOM      8  C   LIG    1       -1.337   1.486  -0.597  0.00  0.00    +0.246 C 
ATOM      9  O   LIG    1       -1.534   2.413  -1.379  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1       -2.109  -0.160   1.149  0.00  0.00    +0.132 C 
BRANCH   7  11
ATOM     11  C   LIG    1       -3.707   1.364  -0.010  0.00  0.00    +0.135 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -4.379   0.522  -1.105  0.00  0.00    +0.178 C 
BRANCH  12  14
ATOM     13  C   LIG    1       -5.799  -0.973   0.086  0.00  0.00    +0.194 C 
ATOM     14  O   LIG    1       -4.616  -0.829  -0.689  0.00  0.00    -0.381 OA
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   1   8
BRANCH   4  15
ATOM     15  N   LIG    1        3.897  -0.761  -0.508  0.00  0.00    -0.294 N 
ATOM     16  H   LIG    1        4.079  -1.308  -1.343  0.00  0.00    +0.154 HD
BRANCH  15  17
ATOM     17  C   LIG    1        5.015  -0.429   0.180  0.00  0.00    +0.163 A 
ATOM     18  S   LIG    1        5.032   0.259   1.772  0.00  0.00    -0.045 S 
ATOM     19  C   LIG    1        6.724   0.218   1.765  0.00  0.00    +0.076 A 
ATOM     20 BR   LIG    1        7.819   0.839   3.191  0.00  0.00    -0.041 Br
ATOM     21  C   LIG    1        7.194  -0.331   0.602  0.00  0.00    +0.136 A 
ATOM     22  N   LIG    1        6.212  -0.718  -0.292  0.00  0.00    -0.232 NA
ENDBRANCH  15  17
ENDBRANCH   4  15
TORSDOF 6