REMARK  Name = BDB032621
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.600   1.820   2.076  0.00  0.00    +0.201 A 
ATOM      2  S   LIG    1        1.887   0.146   1.958  0.00  0.00    -0.029 S 
ATOM      3  C   LIG    1        0.472   0.045   0.978  0.00  0.00    +0.136 A 
ATOM      4  N   LIG    1       -0.152   1.203   0.848  0.00  0.00    -0.139 NA
ATOM      5  N   LIG    1        0.502   2.233   1.493  0.00  0.00    -0.124 NA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -0.013  -1.223   0.428  0.00  0.00    +0.045 A 
ATOM      7  C   LIG    1        0.838  -2.224  -0.047  0.00  0.00    +0.133 A 
ATOM      8  F   LIG    1        2.169  -2.059  -0.041  0.00  0.00    -0.205 F 
ATOM      9  C   LIG    1        0.337  -3.415  -0.567  0.00  0.00    +0.039 A 
ATOM     10  C   LIG    1       -1.042  -3.620  -0.630  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1       -1.936  -2.637  -0.180  0.00  0.00    -0.017 A 
ATOM     12  C   LIG    1       -1.402  -1.443   0.341  0.00  0.00    +0.022 A 
BRANCH  11  13
ATOM     13  C   LIG    1       -3.392  -2.847  -0.252  0.00  0.00    -0.018 A 
ATOM     14  C   LIG    1       -4.204  -2.689   0.884  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1       -5.585  -2.889   0.816  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -6.179  -3.249  -0.390  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -5.394  -3.410  -1.528  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -4.013  -3.211  -1.459  0.00  0.00    +0.008 A 
ENDBRANCH  11  13
ENDBRANCH   3   6
BRANCH   1  19
ATOM     19  N   LIG    1        2.413   2.766   2.812  0.00  0.00    -0.192 N 
ATOM     20  H   LIG    1        1.934   3.656   2.954  0.00  0.00    +0.176 HD
BRANCH  19  22
ATOM     21  O   LIG    1        4.714   1.817   2.304  0.00  0.00    -0.150 OA
ATOM     22  S   LIG    1        3.939   3.031   2.150  0.00  0.00    +0.077 S 
ATOM     23  O   LIG    1        4.423   4.285   2.686  0.00  0.00    -0.150 OA
BRANCH  22  24
ATOM     24  C   LIG    1        3.658   3.276   0.426  0.00  0.00    +0.144 A 
ATOM     25  C   LIG    1        2.838   4.323   0.027  0.00  0.00    +0.150 A 
ATOM     26  F   LIG    1        2.247   5.117   0.930  0.00  0.00    -0.203 F 
ATOM     27  C   LIG    1        2.591   4.542  -1.325  0.00  0.00    +0.040 A 
ATOM     28  C   LIG    1        3.176   3.707  -2.279  0.00  0.00    +0.003 A 
ATOM     29  C   LIG    1        4.005   2.656  -1.877  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        4.251   2.436  -0.521  0.00  0.00    +0.032 A 
ENDBRANCH  22  24
ENDBRANCH  19  22
ENDBRANCH   1  19
TORSDOF 5