IBS-ZINC03213167 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 29 0 0 0 0 0 0 0 0999 V2000 0.8270 1.2710 -1.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0550 -0.1090 -1.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7430 -0.6440 -0.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2000 0.1810 0.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9700 1.5490 0.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2680 2.1040 -0.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0520 3.5490 -0.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1180 4.1890 -0.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4770 3.6130 -0.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7160 2.4120 -0.3550 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4250 4.6240 -0.2700 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9660 5.9250 -0.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8370 7.3480 -0.2720 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2130 5.9140 -0.4690 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.8420 4.2560 -0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2970 4.1550 1.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3910 4.2670 2.2410 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8900 -0.3660 1.7240 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0060 -1.9800 -0.2350 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2850 1.6900 -2.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6840 -0.7320 -2.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3320 2.1700 1.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9760 4.1230 -0.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4740 4.9850 -0.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0150 3.2800 -0.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9380 -1.3210 1.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6350 -2.4330 -1.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5410 3.9770 1.5140 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 20 1 0 0 0 0 2 3 2 0 0 0 0 2 21 1 0 0 0 0 3 4 1 0 0 0 0 3 19 1 0 0 0 0 4 5 2 0 0 0 0 4 18 1 0 0 0 0 5 6 1 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 15 16 1 0 0 0 0 15 24 1 0 0 0 0 15 25 1 0 0 0 0 16 17 2 0 0 0 0 16 28 1 0 0 0 0 18 26 1 0 0 0 0 19 27 1 0 0 0 0 M CHG 1 28 -1 M END