REMARK  Name = BDB001628
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.389   1.328  -1.596  0.00  0.00    +0.143 A 
ATOM      2  N   LIG    1        0.708   1.567  -0.261  0.00  0.00    -0.112 N 
ATOM      3  N   LIG    1       -0.254   1.101   0.593  0.00  0.00    -0.110 NA
ATOM      4  C   LIG    1       -1.210   0.657  -0.221  0.00  0.00    +0.246 A 
ATOM      5  C   LIG    1       -0.865   0.758  -1.580  0.00  0.00    +0.114 A 
ENDROOT
BRANCH   1   6
ATOM      6  N   LIG    1        1.176   1.616  -2.662  0.00  0.00    -0.342 N 
ATOM      7  H   LIG    1        1.932   2.308  -2.569  0.00  0.00    +0.144 HD
ATOM      8  H   LIG    1        0.770   1.634  -3.598  0.00  0.00    +0.144 HD
ENDBRANCH   1   6
BRANCH   2   9
ATOM      9  S   LIG    1        2.275   2.099   0.251  0.00  0.00    +0.101 S 
ATOM     10  O   LIG    1        2.106   2.678   1.571  0.00  0.00    -0.146 OA
ATOM     11  O   LIG    1        2.839   2.865  -0.850  0.00  0.00    -0.146 OA
BRANCH   9  12
ATOM     12  C   LIG    1        3.170   0.577   0.420  0.00  0.00    +0.113 A 
ATOM     13  C   LIG    1        4.133   0.223  -0.531  0.00  0.00    +0.032 A 
ATOM     14  C   LIG    1        4.833  -0.975  -0.381  0.00  0.00    +0.040 A 
ATOM     15  C   LIG    1        4.570  -1.794   0.714  0.00  0.00    +0.124 A 
ATOM     16  F   LIG    1        5.246  -2.942   0.853  0.00  0.00    -0.205 F 
ATOM     17  C   LIG    1        3.620  -1.440   1.667  0.00  0.00    +0.040 A 
ATOM     18  C   LIG    1        2.914  -0.245   1.525  0.00  0.00    +0.032 A 
ENDBRANCH   9  12
ENDBRANCH   2   9
BRANCH   4  19
ATOM     19  O   LIG    1       -2.293   0.176   0.414  0.00  0.00    -0.400 OA
BRANCH  19  20
ATOM     20  C   LIG    1       -3.377  -0.259  -0.289  0.00  0.00    +0.381 C 
ATOM     21  O   LIG    1       -3.499  -0.261  -1.508  0.00  0.00    -0.241 OA
BRANCH  20  22
ATOM     22  C   LIG    1       -4.377  -0.724   0.649  0.00  0.00    +0.212 A 
ATOM     23  O   LIG    1       -5.554  -1.222   0.151  0.00  0.00    -0.456 OA
ATOM     24  C   LIG    1       -6.322  -1.589   1.208  0.00  0.00    +0.196 A 
ATOM     25  C   LIG    1       -5.667  -1.339   2.389  0.00  0.00    +0.042 A 
ATOM     26  C   LIG    1       -4.414  -0.782   2.033  0.00  0.00    +0.056 A 
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 6