@MOLECULE 57488627 16 16 1 SMALL USER_CHARGES @ATOM 1 Cl1 2.7243 1.7805 -1.8797 Cl 1 noname -0.0541 2 Cl2 0.6824 3.2266 2.9356 Cl 1 noname -0.0541 3 Cl3 1.5633 -1.1322 -1.4399 Cl 1 noname -0.0298 4 Cl4 -0.4403 0.2867 3.2850 Cl 1 noname -0.0298 5 S1 2.2718 3.9604 0.3315 S.2 1 noname 0.1486 6 O1 1.1836 4.8597 -0.4000 O.2 1 noname -0.3064 7 N1 0.6488 -0.1989 0.8924 N.2 1 noname -0.1727 8 C1 1.6478 2.3613 0.5471 C.2 1 noname 0.0697 9 C2 1.8702 1.3890 -0.4786 C.2 1 noname 0.0833 10 C3 0.9273 2.0567 1.7451 C.2 1 noname 0.0833 11 C4 1.3426 0.0692 -0.2764 C.2 1 noname 0.0844 12 C5 0.4195 0.7230 1.9007 C.2 1 noname 0.0844 13 C6 3.7653 3.8916 -0.6708 C.3 1 noname -0.0008 14 H1 4.5113 3.2750 -0.1693 H 1 noname 0.0313 15 H2 3.5307 3.4589 -1.6433 H 1 noname 0.0313 16 H3 4.1585 4.8991 -0.8066 H 1 noname 0.0313 @BOND 1 1 9 1 2 2 10 1 3 3 11 1 4 4 12 1 5 5 6 2 6 5 8 1 7 5 13 1 8 7 11 2 9 7 12 1 10 8 9 2 11 8 10 1 12 9 11 1 13 10 12 2 14 13 14 1 15 13 15 1 16 13 16 1 @SUBSTRUCTURE 1 noname 1