REMARK  Name = BDB000794
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.719  -0.622   0.429  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -1.342  -0.447   1.762  0.00  0.00    +0.015 A 
ATOM      3  C   LIG    1       -0.108   0.136   2.074  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1        0.774   0.568   1.069  0.00  0.00    +0.033 A 
ATOM      5  C   LIG    1        0.372   0.397  -0.261  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1       -0.862  -0.186  -0.584  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -4.354  -2.638  -1.391  0.00  0.00    +0.128 C 
ATOM      8  N   LIG    1       -3.158  -1.899  -1.072  0.00  0.00    -0.314 N 
ATOM      9  H   LIG    1       -2.316  -2.127  -1.583  0.00  0.00    +0.149 HD
ATOM     10  C   LIG    1       -3.040  -1.248   0.139  0.00  0.00    +0.244 C 
ATOM     11  O   LIG    1       -3.940  -1.198   0.970  0.00  0.00    -0.270 OA
ENDBRANCH   1  10
BRANCH   4  12
ATOM     12  N   LIG    1        2.002   1.133   1.459  0.00  0.00    -0.294 N 
ATOM     13  H   LIG    1        2.110   1.238   2.459  0.00  0.00    +0.154 HD
BRANCH  12  14
ATOM     14  C   LIG    1        3.032   1.573   0.697  0.00  0.00    +0.163 A 
ATOM     15  S   LIG    1        4.406   2.268   1.502  0.00  0.00    -0.045 S 
ATOM     16  C   LIG    1        5.146   2.523   0.001  0.00  0.00    +0.076 A 
ATOM     17 BR   LIG    1        6.860   3.317  -0.231  0.00  0.00    -0.041 Br
ATOM     18  C   LIG    1        4.346   2.082  -1.019  0.00  0.00    +0.136 A 
ATOM     19  N   LIG    1        3.140   1.539  -0.615  0.00  0.00    -0.232 NA
ENDBRANCH  12  14
ENDBRANCH   4  12
TORSDOF 3