IFLAB-ZINC04357007 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 33 0 0 0 0 0 0 0 0999 V2000 0.7300 0.7750 2.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4390 -0.0480 1.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4130 -1.3860 2.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4820 -1.6310 3.6790 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1620 0.0400 3.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9450 -2.5520 1.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1530 -2.6680 1.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2630 -1.6940 1.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2640 -0.6510 1.6560 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2990 -2.1690 0.2030 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1220 -3.4410 -0.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0090 -4.2780 -1.4800 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6300 -4.1360 0.2990 S 0 0 0 0 0 0 0 0 0 0 0 0 6.4530 -1.3420 -0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3030 0.0430 -0.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4110 0.8770 -0.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6990 0.3430 -0.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8470 -1.0340 -0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7500 -1.8710 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1080 -1.5860 -0.1420 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9260 1.1850 -0.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0190 0.5180 -0.5320 O 0 5 0 0 0 0 0 0 0 0 0 0 0.6420 1.8510 2.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9520 0.3360 1.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4290 0.4020 4.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2870 -3.4200 1.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3170 0.5000 -0.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2670 1.9430 -0.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9440 -2.9160 0.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7390 -0.8020 -0.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7920 2.4270 -0.8110 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 1 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 25 1 0 0 0 0 6 7 2 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 27 1 0 0 0 0 16 17 1 0 0 0 0 16 28 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 29 1 0 0 0 0 20 30 1 0 0 0 0 21 22 1 0 0 0 0 21 31 2 0 0 0 0 M CHG 1 22 -1 M END