REMARK  Name = BDB023286
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.585  -2.458  -0.049  0.00  0.00    -0.265 OA
ATOM      2  C   LIG    1       -1.324  -1.730  -0.996  0.00  0.00    +0.298 C 
ATOM      3  N   LIG    1       -2.268  -1.413  -1.979  0.00  0.00    -0.179 N 
ATOM      4  H   LIG    1       -2.131  -0.629  -2.606  0.00  0.00    +0.177 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -0.042  -1.084  -1.203  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        0.898  -1.202  -0.209  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        2.010  -0.528  -0.605  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        1.808   0.033  -1.855  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        2.862   0.762  -2.416  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        4.064   0.906  -1.715  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        4.238   0.337  -0.444  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        2.732   1.326  -3.625  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        3.192  -0.410   0.126  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        0.489  -0.329  -2.237  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        5.465   0.481   0.241  0.00  0.00    -0.330 N 
ATOM     16  C   LIG    1        6.430   1.534   0.089  0.00  0.00    +0.106 C 
ATOM     17  C   LIG    1        7.049   1.038   1.400  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        5.686   0.390   1.658  0.00  0.00    +0.106 C 
ENDBRANCH  11  15
ENDBRANCH   2   5
BRANCH   3  19
ATOM     19  S   LIG    1       -3.857  -1.883  -1.915  0.00  0.00    +0.078 S 
ATOM     20  O   LIG    1       -3.900  -3.328  -1.974  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -4.550  -1.087  -2.906  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1       -4.426  -1.358  -0.336  0.00  0.00    +0.151 A 
ATOM     23  C   LIG    1       -4.218  -0.060   0.093  0.00  0.00    +0.150 A 
ATOM     24  O   LIG    1       -3.551   0.923  -0.595  0.00  0.00    -0.489 OA
ATOM     25  C   LIG    1       -3.868   2.132   0.137  0.00  0.00    +0.234 C 
ATOM     26  C   LIG    1       -4.241   1.760   1.570  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1       -4.660   0.358   1.341  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -5.321  -0.509   2.196  0.00  0.00    +0.022 A 
ATOM     29  C   LIG    1       -5.538  -1.821   1.764  0.00  0.00    +0.020 A 
ATOM     30 BR   LIG    1       -6.438  -3.035   2.902  0.00  0.00    -0.050 Br
ATOM     31  C   LIG    1       -5.095  -2.254   0.506  0.00  0.00    +0.047 A 
ENDBRANCH  19  22
ENDBRANCH   3  19
TORSDOF 4