REMARK  Name = BDB000793
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.585   0.334  -0.833  0.00  0.00    +0.059 A 
ATOM      2  C   LIG    1       -1.546  -0.456  -1.327  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -0.321  -0.506  -0.651  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1       -0.109   0.230   0.520  0.00  0.00    +0.033 A 
ATOM      5  C   LIG    1       -1.161   1.039   0.987  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1       -2.389   1.097   0.321  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1       -3.933   0.379  -2.789  0.00  0.00    -0.245 OA
ATOM      8  C   LIG    1       -3.866   0.367  -1.574  0.00  0.00    +0.337 C 
BRANCH   8   9
ATOM      9  O   LIG    1       -4.944   0.336  -0.763  0.00  0.00    -0.477 OA
ATOM     10  H   LIG    1       -4.743   0.149   0.173  0.00  0.00    +0.295 HD
ENDBRANCH   8   9
ENDBRANCH   1   8
BRANCH   4  11
ATOM     11  N   LIG    1        1.107   0.262   1.227  0.00  0.00    -0.294 N 
ATOM     12  H   LIG    1        0.981   0.299   2.233  0.00  0.00    +0.154 HD
BRANCH  11  13
ATOM     13  C   LIG    1        2.362  -0.076   0.849  0.00  0.00    +0.163 A 
ATOM     14  S   LIG    1        2.995   0.066  -0.758  0.00  0.00    -0.045 S 
ATOM     15  C   LIG    1        4.502  -0.471  -0.208  0.00  0.00    +0.076 A 
ATOM     16 BR   LIG    1        6.030  -0.708  -1.317  0.00  0.00    -0.041 Br
ATOM     17  C   LIG    1        4.475  -0.700   1.142  0.00  0.00    +0.136 A 
ATOM     18  N   LIG    1        3.254  -0.454   1.745  0.00  0.00    -0.232 NA
ENDBRANCH  11  13
ENDBRANCH   4  11
TORSDOF 4