CHEMBRIDGE-ZINC00072215 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 36 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -0.4980 -1.2570 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7100 -0.0490 -1.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8490 -2.0210 -1.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0480 -0.1170 -2.4300 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6400 0.1070 -3.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8420 -0.0100 -3.5700 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0880 0.5060 -4.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1090 0.7350 -6.1620 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0910 1.1900 -7.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2870 1.2850 -7.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0820 1.6420 -8.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5090 1.9040 -9.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1390 1.8100 -9.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6630 1.4600 -8.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1300 1.3650 -8.9380 N 0 3 0 0 0 0 0 0 0 0 0 0 2.6310 1.6020 -10.0220 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8360 1.0510 -7.9960 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.3800 2.2920 -10.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7180 2.3190 -10.4300 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.0060 3.5590 -11.2960 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.2240 1.3570 -11.8660 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3590 -2.3720 -2.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4240 -2.3060 -0.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1430 -2.4690 -1.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7960 -0.2770 -5.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6250 1.4380 -4.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7350 1.0800 -6.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1520 1.7160 -8.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3050 2.0140 -10.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 29 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 14 15 2 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M END