REMARK  Name = BDB057669
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.775   0.745   1.445  0.00  0.00    -0.221 N 
ATOM      2  C   LIG    1       -1.481   0.488   1.066  0.00  0.00    +0.237 C 
ATOM      3  O   LIG    1       -0.925  -0.592   1.237  0.00  0.00    -0.274 OA
ATOM      4  C   LIG    1       -0.827   1.684   0.396  0.00  0.00    +0.146 C 
ATOM      5  S   LIG    1       -2.079   3.007   0.466  0.00  0.00    -0.054 S 
ATOM      6  C   LIG    1       -3.298   1.967   1.152  0.00  0.00    +0.282 C 
ATOM      7  O   LIG    1       -4.450   2.328   1.327  0.00  0.00    -0.262 OA
ENDROOT
BRANCH   1   8
ATOM      8  C   LIG    1       -3.615  -0.298   2.013  0.00  0.00    +0.237 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -4.351  -1.115   0.959  0.00  0.00    +0.325 C 
ATOM     10  O   LIG    1       -5.112  -2.034   1.242  0.00  0.00    -0.249 OA
BRANCH   9  11
ATOM     11  O   LIG    1       -4.068  -0.705  -0.310  0.00  0.00    -0.464 OA
BRANCH  11  13
ATOM     12  C   LIG    1       -6.090  -0.792  -1.636  0.00  0.00    +0.048 C 
ATOM     13  C   LIG    1       -4.733  -1.415  -1.365  0.00  0.00    +0.229 C 
ENDBRANCH  11  13
ENDBRANCH   9  11
ENDBRANCH   8   9
ENDBRANCH   1   8
BRANCH   4  14
ATOM     14  C   LIG    1        0.455   2.113   1.115  0.00  0.00    +0.059 C 
BRANCH  14  15
ATOM     15  C   LIG    1        1.682   1.430   0.553  0.00  0.00    -0.046 A 
ATOM     16  C   LIG    1        2.171   0.248   1.120  0.00  0.00    +0.007 A 
ATOM     17  C   LIG    1        3.297  -0.390   0.585  0.00  0.00    +0.046 A 
ATOM     18  C   LIG    1        3.948   0.148  -0.524  0.00  0.00    +0.121 A 
ATOM     19  C   LIG    1        3.461   1.326  -1.093  0.00  0.00    +0.046 A 
ATOM     20  C   LIG    1        2.337   1.964  -0.563  0.00  0.00    +0.007 A 
BRANCH  18  21
ATOM     21  O   LIG    1        5.049  -0.372  -1.144  0.00  0.00    -0.491 OA
BRANCH  21  22
ATOM     22  C   LIG    1        5.618  -1.556  -0.580  0.00  0.00    +0.240 C 
BRANCH  22  23
ATOM     23  C   LIG    1        6.829  -1.960  -1.404  0.00  0.00    +0.121 C 
ATOM     24 BR   LIG    1        8.338  -0.778  -1.027  0.00  0.00    -0.088 Br
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  14  15
ENDBRANCH   4  14
TORSDOF 9