B1KG5I -OEChem-04022105582D 27 29 0 0 0 0 0 0 0999 V2000 8.9753 -1.6907 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.3116 -1.0520 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 2.0412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 2.0412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -1.4588 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 0.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -0.9588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 0.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -0.9588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 0.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -1.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 0.5759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -1.4934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5026 -2.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 1.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4808 -2.6612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9808 -1.7952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0690 0.3512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 1.1958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 -2.1134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 0.3741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -1.2917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0419 -2.8682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7329 -3.2276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 2.6612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 11 1 0 0 0 0 2 19 1 0 0 0 0 3 17 1 0 0 0 0 3 27 1 0 0 0 0 4 17 2 0 0 0 0 5 7 1 0 0 0 0 5 9 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 12 2 0 0 0 0 7 13 2 0 0 0 0 8 10 2 0 0 0 0 8 17 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 10 20 1 0 0 0 0 11 16 2 0 0 0 0 12 14 1 0 0 0 0 12 21 1 0 0 0 0 13 15 1 0 0 0 0 13 22 1 0 0 0 0 14 15 2 0 0 0 0 14 23 1 0 0 0 0 15 24 1 0 0 0 0 16 18 1 0 0 0 0 16 25 1 0 0 0 0 18 19 2 0 0 0 0 18 26 1 0 0 0 0 M END $$$$