BBCQ90 -OEChem-04022118263D 34 36 0 0 0 0 0 0 0999 V2000 -6.8775 -1.2359 0.0157 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.0035 -0.3953 0.5158 S 0 0 0 0 0 0 0 0 0 0 0 0 4.3898 -2.9553 -1.4102 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2706 -2.4721 -0.7367 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1781 -0.4959 0.9340 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3782 1.7291 0.1132 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4626 3.0219 -0.6058 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2216 0.7695 0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5941 0.6765 0.4191 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6862 1.9506 -0.2921 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2328 0.6587 -0.0309 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7318 1.8757 -0.4331 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6015 0.1992 -0.0195 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1627 -1.2297 0.1611 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7996 -0.9940 2.2431 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3271 0.1401 -1.2093 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1983 -0.1856 1.1811 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7716 2.8265 -0.3755 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4734 -2.2626 -0.6857 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6494 -0.3037 -1.1986 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5205 -0.6294 1.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2460 -0.6885 0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3479 2.6827 -0.8115 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8656 -1.7418 0.8277 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7337 -0.5591 -0.4909 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2868 -0.2327 2.8418 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1491 -1.8697 2.1541 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6887 -1.2953 2.8081 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8780 0.4333 -2.1553 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6566 -0.1387 2.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4236 3.6595 -0.6138 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2026 -0.3451 -2.1334 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9735 -0.9239 2.1353 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9690 -3.6386 -1.9745 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 8 1 0 0 0 0 2 11 1 0 0 0 0 3 19 1 0 0 0 0 3 34 1 0 0 0 0 4 19 2 0 0 0 0 5 9 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 9 2 0 0 0 0 6 18 1 0 0 0 0 7 10 1 0 0 0 0 7 18 2 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 10 12 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 12 23 1 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 14 19 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 16 20 1 0 0 0 0 16 29 1 0 0 0 0 17 21 2 0 0 0 0 17 30 1 0 0 0 0 18 31 1 0 0 0 0 20 22 2 0 0 0 0 20 32 1 0 0 0 0 21 22 1 0 0 0 0 21 33 1 0 0 0 0 M END $$$$