REMARK  Name = BDB002201
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.012  -0.647  -0.222  0.00  0.00    +0.068 A 
ATOM      2  C   LIG    1       -2.389  -0.247  -0.037  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -3.578  -0.742  -0.814  0.00  0.00    +0.037 C 
ATOM      4  C   LIG    1       -4.831   0.109  -0.552  0.00  0.00    +0.005 C 
ATOM      5  C   LIG    1       -5.014   0.407   0.942  0.00  0.00    +0.005 C 
ATOM      6  C   LIG    1       -3.827   1.197   1.512  0.00  0.00    +0.043 C 
ATOM      7  C   LIG    1       -2.533   0.610   1.039  0.00  0.00    -0.004 A 
ATOM      8  S   LIG    1       -1.058   0.940   1.812  0.00  0.00    -0.077 S 
ATOM      9  C   LIG    1       -0.195   0.007   0.679  0.00  0.00    +0.084 A 
ENDROOT
BRANCH   1  13
ATOM     10  N   LIG    1       -0.725  -1.354  -2.473  0.00  0.00    -0.325 N 
ATOM     11  H   LIG    1       -0.166  -1.939  -3.081  0.00  0.00    +0.145 HD
ATOM     12  H   LIG    1       -0.700  -0.368  -2.697  0.00  0.00    +0.145 HD
ATOM     13  C   LIG    1       -0.553  -1.667  -1.153  0.00  0.00    +0.244 C 
ATOM     14  O   LIG    1       -0.058  -2.730  -0.799  0.00  0.00    -0.270 OA
ENDBRANCH   1  13
BRANCH   9  15
ATOM     15  N   LIG    1        1.167   0.066   0.882  0.00  0.00    -0.277 N 
ATOM     16  H   LIG    1        1.464   0.501   1.745  0.00  0.00    +0.155 HD
ATOM     17  C   LIG    1        2.088  -0.095  -0.144  0.00  0.00    +0.246 C 
ATOM     18  O   LIG    1        1.808  -0.186  -1.337  0.00  0.00    -0.273 OA
BRANCH  17  19
ATOM     19  C   LIG    1        3.544  -0.079   0.369  0.00  0.00    +0.204 C 
ATOM     20  O   LIG    1        4.510  -0.411  -0.638  0.00  0.00    -0.367 OA
ATOM     21  C   LIG    1        5.386   0.703  -0.821  0.00  0.00    +0.161 C 
ATOM     22  C   LIG    1        5.367   1.445   0.492  0.00  0.00    +0.031 C 
ATOM     23  C   LIG    1        3.923   1.300   0.905  0.00  0.00    +0.043 C 
ENDBRANCH  17  19
ENDBRANCH   9  15
TORSDOF 3