REMARK  Name = BDB015445
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.242   0.919  -0.522  0.00  0.00    +0.201 C 
ATOM      2  N   LIG    1       -0.870   0.643  -1.752  0.00  0.00    -0.172 N 
ATOM      3  C   LIG    1       -1.532   1.882  -2.199  0.00  0.00    +0.158 C 
ATOM      4  C   LIG    1       -1.590   2.661  -0.891  0.00  0.00    +0.166 C 
ATOM      5  N   LIG    1       -0.596   2.043   0.017  0.00  0.00    -0.253 NA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1        3.475  -0.687   0.839  0.00  0.00    -0.300 NA
ATOM      7  C   LIG    1        3.078  -0.329  -0.543  0.00  0.00    +0.103 C 
ATOM      8  C   LIG    1        1.616  -0.691  -0.888  0.00  0.00    +0.123 C 
ATOM      9  N   LIG    1        0.677   0.048  -0.020  0.00  0.00    -0.300 N 
ATOM     10  C   LIG    1        1.180   0.279   1.350  0.00  0.00    +0.123 C 
ATOM     11  C   LIG    1        2.295  -0.714   1.734  0.00  0.00    +0.103 C 
BRANCH   6  13
ATOM     12  C   LIG    1        5.830   0.085   0.563  0.00  0.00    +0.020 C 
ATOM     13  C   LIG    1        4.533   0.189   1.359  0.00  0.00    +0.081 C 
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   2  14
ATOM     14  S   LIG    1       -1.656  -0.799  -2.147  0.00  0.00    +0.078 S 
ATOM     15  O   LIG    1       -2.162  -0.652  -3.499  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1       -0.853  -1.955  -1.823  0.00  0.00    -0.150 OA
BRANCH  14  17
ATOM     17  C   LIG    1       -3.078  -0.804  -1.067  0.00  0.00    +0.126 A 
ATOM     18  C   LIG    1       -3.037  -1.345   0.224  0.00  0.00    +0.078 A 
ATOM     19  C   LIG    1       -4.210  -1.325   1.001  0.00  0.00    +0.021 A 
ATOM     20  C   LIG    1       -5.400  -0.797   0.498  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -5.440  -0.290  -0.795  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -4.288  -0.299  -1.580  0.00  0.00    +0.030 A 
BRANCH  18  23
ATOM     23  C   LIG    1       -1.876  -1.936   0.828  0.00  0.00    +0.101 C 
ATOM     24  N   LIG    1       -1.003  -2.429   1.413  0.00  0.00    -0.191 NA
ENDBRANCH  18  23
ENDBRANCH  14  17
ENDBRANCH   2  14
TORSDOF 5