REMARK  Name = BDB062489
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.281  -0.786   0.059  0.00  0.00    -0.218 N 
ATOM      2  C   LIG    1       -0.160  -1.551  -0.166  0.00  0.00    +0.238 C 
ATOM      3  O   LIG    1        0.462  -1.571  -1.223  0.00  0.00    -0.274 OA
ATOM      4  C   LIG    1        0.250  -2.357   1.050  0.00  0.00    +0.158 C 
ATOM      5  S   LIG    1       -1.128  -2.171   2.225  0.00  0.00    -0.053 S 
ATOM      6  C   LIG    1       -1.988  -1.053   1.196  0.00  0.00    +0.282 C 
ATOM      7  O   LIG    1       -3.074  -0.593   1.508  0.00  0.00    -0.262 OA
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1        1.575  -1.878   1.643  0.00  0.00    +0.129 C 
ATOM      9  C   LIG    1        1.840  -0.391   1.676  0.00  0.00    -0.012 A 
ATOM     10  C   LIG    1        2.965  -0.111   0.898  0.00  0.00    +0.037 A 
ATOM     11  C   LIG    1        3.448   1.167   0.715  0.00  0.00    +0.025 A 
ATOM     12  C   LIG    1        2.768   2.207   1.352  0.00  0.00    +0.017 A 
ATOM     13  C   LIG    1        1.645   1.936   2.154  0.00  0.00    +0.018 A 
ATOM     14 BR   LIG    1        0.745   3.368   3.003  0.00  0.00    -0.050 Br
ATOM     15  N   LIG    1        3.477  -1.284   0.371  0.00  0.00    -0.285 N 
ATOM     16  H   LIG    1        4.280  -1.358  -0.237  0.00  0.00    +0.155 HD
ATOM     17  C   LIG    1        1.175   0.631   2.333  0.00  0.00    +0.021 A 
ATOM     18  C   LIG    1        2.724  -2.385   0.750  0.00  0.00    +0.226 C 
ATOM     19  O   LIG    1        2.940  -3.543   0.437  0.00  0.00    -0.275 OA
ENDBRANCH   4   8
BRANCH   1  20
ATOM     20  C   LIG    1       -1.832   0.048  -1.021  0.00  0.00    +0.204 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.842  -0.811  -1.780  0.00  0.00    +0.326 C 
ATOM     22  O   LIG    1       -3.122  -1.979  -1.559  0.00  0.00    -0.249 OA
BRANCH  21  23
ATOM     23  O   LIG    1       -3.410  -0.162  -2.815  0.00  0.00    -0.479 OA
ATOM     24  H   LIG    1       -4.020  -0.818  -3.218  0.00  0.00    +0.295 HD
ENDBRANCH  21  23
ENDBRANCH  20  21
BRANCH  20  25
ATOM     25  C   LIG    1       -2.471   1.345  -0.526  0.00  0.00    +0.154 C 
BRANCH  25  27
ATOM     26  O   LIG    1       -3.377   3.031  -2.021  0.00  0.00    -0.251 OA
ATOM     27  C   LIG    1       -2.425   2.413  -1.578  0.00  0.00    +0.307 C 
BRANCH  27  28
ATOM     28  O   LIG    1       -1.173   2.707  -1.976  0.00  0.00    -0.481 OA
ATOM     29  H   LIG    1       -1.295   3.434  -2.625  0.00  0.00    +0.295 HD
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH  20  25
ENDBRANCH   1  20
TORSDOF 7