IBS-ZINC05119589 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 30 0 0 0 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 0 0 0 0 0 0 0 0 0 0 0.7390 -2.0270 -1.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -2.5000 -2.4700 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5690 -3.8700 -2.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0520 -4.7800 -1.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1670 -6.1170 -1.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8220 -6.6260 -3.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3620 -5.6800 -4.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2040 -4.2930 -3.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7330 -3.3060 -4.7960 N 0 3 0 0 0 0 0 0 0 0 0 0 3.8710 -2.8890 -4.6800 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0300 -2.9110 -5.7090 O 0 5 0 0 0 0 0 0 0 0 0 0 2.9360 -6.3260 -5.0720 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8200 -7.8590 -4.8350 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0540 -7.8710 -3.4810 N 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 0.1910 -0.1360 -2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7410 -0.1200 -1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2660 -2.3880 -0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2840 -2.4050 -1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7790 -1.8610 -3.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5510 -4.4060 -0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7590 -6.7960 -1.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 21 1 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 17 2 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 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 16 17 1 0 0 0 0 M CHG 1 12 1 M CHG 1 14 -1 M END