REMARK  Name = BDB019131
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.509  -0.894   0.819  0.00  0.00    +0.203 A 
ATOM      2  C   LIG    1        2.995  -0.723  -0.464  0.00  0.00    +0.109 A 
ATOM      3  N   LIG    1        1.630  -0.531  -0.260  0.00  0.00    -0.268 N 
ATOM      4  C   LIG    1        0.691  -0.381  -1.300  0.00  0.00    +0.202 A 
ATOM      5  N   LIG    1        1.082  -0.444  -2.542  0.00  0.00    -0.223 NA
ATOM      6  C   LIG    1        2.433  -0.592  -2.769  0.00  0.00    +0.131 A 
ATOM      7  C   LIG    1        1.402  -0.564   1.087  0.00  0.00    +0.209 A 
ATOM      8  C   LIG    1        3.395  -0.714  -1.831  0.00  0.00    +0.063 A 
ATOM      9 BR   LIG    1        5.179  -0.780  -2.357  0.00  0.00    -0.046 Br
ATOM     10  N   LIG    1        2.508  -0.726   1.767  0.00  0.00    -0.217 NA
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1        5.992   0.277   1.202  0.00  0.00    +0.202 C 
ATOM     12  S   LIG    1        5.135  -1.269   1.336  0.00  0.00    +0.013 S 
ATOM     13  O   LIG    1        5.030  -1.609   2.741  0.00  0.00    -0.168 OA
ATOM     14  O   LIG    1        5.646  -2.219   0.371  0.00  0.00    -0.168 OA
ENDBRANCH   1  12
BRANCH   4  15
ATOM     15  N   LIG    1       -0.647  -0.198  -1.027  0.00  0.00    -0.310 N 
ATOM     16  H   LIG    1       -1.149  -0.372  -1.901  0.00  0.00    +0.149 HD
BRANCH  15  17
ATOM     17  C   LIG    1       -1.096   1.103  -0.530  0.00  0.00    +0.143 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.594   1.133  -0.443  0.00  0.00    +0.012 A 
ATOM     19  C   LIG    1       -3.320   0.286   0.392  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1       -2.862  -0.809   1.280  0.00  0.00    +0.080 C 
ATOM     21  C   LIG    1       -4.154  -1.058   2.060  0.00  0.00    +0.234 C 
ATOM     22  O   LIG    1       -5.273  -0.574   1.284  0.00  0.00    -0.491 OA
ATOM     23  C   LIG    1       -4.708   0.338   0.431  0.00  0.00    +0.124 A 
ATOM     24  C   LIG    1       -5.437   1.219  -0.341  0.00  0.00    +0.049 A 
ATOM     25  C   LIG    1       -4.733   2.088  -1.173  0.00  0.00    +0.042 A 
ATOM     26  C   LIG    1       -3.333   2.041  -1.214  0.00  0.00    +0.129 A 
ATOM     27  F   LIG    1       -2.692   2.891  -2.030  0.00  0.00    -0.205 F 
ENDBRANCH  17  18
ENDBRANCH  15  17
ENDBRANCH   4  15
TORSDOF 4