REMARK  Name = BDB003601
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.988   1.165  -1.051  0.00  0.00    -0.183 NA
ATOM      2  C   LIG    1       -2.143   0.732  -0.680  0.00  0.00    +0.152 A 
ATOM      3  C   LIG    1       -2.623  -0.348   0.250  0.00  0.00    +0.171 A 
ATOM      4 CL   LIG    1       -1.798  -1.844   0.263  0.00  0.00    -0.058 Cl
ATOM      5  N   LIG    1       -3.711  -0.227   0.946  0.00  0.00    -0.189 NA
ATOM      6  S   LIG    1       -4.482   1.224   0.638  0.00  0.00    +0.053 S 
ATOM      7  S   LIG    1       -3.648   1.398  -1.210  0.00  0.00    -0.010 S 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        3.332  -0.716  -0.500  0.00  0.00    +0.111 C 
ATOM      9  C   LIG    1        2.020  -0.183  -0.100  0.00  0.00    +0.216 A 
ATOM     10  O   LIG    1        1.185   0.233  -1.096  0.00  0.00    -0.407 OA
ATOM     11  C   LIG    1        0.077   0.657  -0.399  0.00  0.00    +0.344 A 
ATOM     12  N   LIG    1        0.253   0.513   0.904  0.00  0.00    -0.089 NA
ATOM     13  N   LIG    1        1.500  -0.039   1.097  0.00  0.00    -0.111 NA
ENDBRANCH   1  11
TORSDOF 1