REMARK  Name = BDB053362
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.140  -0.020  -0.376  0.00  0.00    +0.059 A 
ATOM      2  C   LIG    1        0.895   0.057   0.568  0.00  0.00    +0.061 A 
ATOM      3  C   LIG    1        2.236   0.093   0.149  0.00  0.00    +0.146 A 
ATOM      4  C   LIG    1        2.600   0.054  -1.190  0.00  0.00    +0.071 A 
ATOM      5 CL   LIG    1        4.232   0.096  -1.738  0.00  0.00    -0.081 Cl
ATOM      6  C   LIG    1        1.585  -0.023  -2.137  0.00  0.00    +0.024 A 
ATOM      7  C   LIG    1        0.239  -0.059  -1.734  0.00  0.00    +0.028 A 
ENDROOT
BRANCH   1  10
ATOM      8  O   LIG    1       -1.380   0.041   2.389  0.00  0.00    -0.267 OA
ATOM      9  C   LIG    1       -1.994  -0.025   1.334  0.00  0.00    +0.262 A 
ATOM     10  N   LIG    1       -1.516  -0.058   0.019  0.00  0.00    -0.246 N 
ATOM     11  S   LIG    1       -2.794  -0.153  -1.132  0.00  0.00    -0.012 S 
ATOM     12  C   LIG    1       -3.979  -0.150   0.116  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1       -3.473  -0.082   1.347  0.00  0.00    +0.079 A 
ENDBRANCH   1  10
BRANCH   3  14
ATOM     14  N   LIG    1        3.253   0.173   1.167  0.00  0.00    +0.058 N 
ATOM     15  O   LIG    1        3.595   1.306   1.527  0.00  0.00    -0.126 OA
ATOM     16  O   LIG    1        3.681  -0.898   1.615  0.00  0.00    -0.126 OA
ENDBRANCH   3  14
TORSDOF 2