REMARK  Name = BDB059815
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.458   0.755  -1.929  0.00  0.00    -0.198 N 
ATOM      2  H   LIG    1        1.211   0.457  -2.867  0.00  0.00    +0.175 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        0.546   0.675  -0.900  0.00  0.00    +0.156 A 
ATOM      4  N   LIG    1        0.856   0.949   0.398  0.00  0.00    -0.220 NA
ATOM      5  C   LIG    1       -0.249   0.755   1.079  0.00  0.00    +0.201 A 
ATOM      6  N   LIG    1       -1.275   0.361   0.263  0.00  0.00    -0.331 N 
ATOM      7  C   LIG    1       -0.769   0.290  -1.008  0.00  0.00    +0.132 A 
BRANCH   6   8
ATOM      8  C   LIG    1       -2.633   0.044   0.721  0.00  0.00    +0.094 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -3.158  -1.221   0.074  0.00  0.00    +0.012 C 
ATOM     10  C   LIG    1       -2.642  -2.576   0.497  0.00  0.00    +0.006 C 
ATOM     11  C   LIG    1       -4.045  -2.166   0.850  0.00  0.00    +0.006 C 
ENDBRANCH   8   9
BRANCH   8  12
ATOM     12  C   LIG    1       -3.632   1.173   0.578  0.00  0.00    +0.012 C 
ATOM     13  C   LIG    1       -3.248   2.635   0.534  0.00  0.00    +0.006 C 
ATOM     14  C   LIG    1       -3.812   1.970  -0.693  0.00  0.00    +0.006 C 
ENDBRANCH   8  12
ENDBRANCH   6   8
ENDBRANCH   1   3
BRANCH   1  16
ATOM     15  O   LIG    1        3.702   0.999  -2.991  0.00  0.00    -0.150 OA
ATOM     16  S   LIG    1        3.038   1.246  -1.727  0.00  0.00    +0.077 S 
ATOM     17  O   LIG    1        3.064   2.562  -1.121  0.00  0.00    -0.150 OA
BRANCH  16  18
ATOM     18  C   LIG    1        3.703   0.089  -0.564  0.00  0.00    +0.152 A 
ATOM     19  C   LIG    1        4.096   0.476   0.722  0.00  0.00    +0.162 A 
ATOM     20  C   LIG    1        4.630  -0.494   1.583  0.00  0.00    +0.085 A 
ATOM     21 CL   LIG    1        5.130  -0.095   3.190  0.00  0.00    -0.080 Cl
ATOM     22  C   LIG    1        4.771  -1.821   1.168  0.00  0.00    +0.039 A 
ATOM     23  C   LIG    1        4.383  -2.184  -0.118  0.00  0.00    +0.021 A 
ATOM     24 BR   LIG    1        4.576  -3.977  -0.685  0.00  0.00    -0.050 Br
ATOM     25  C   LIG    1        3.855  -1.239  -0.991  0.00  0.00    +0.048 A 
BRANCH  19  26
ATOM     26  O   LIG    1        3.994   1.758   1.195  0.00  0.00    -0.503 OA
ATOM     27  H   LIG    1        3.495   2.325   0.566  0.00  0.00    +0.292 HD
ENDBRANCH  19  26
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 7