IFLAB-ZINC04387572 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 36 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 0.7040 -0.4850 1.1780 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0310 -0.7040 2.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2220 -0.5010 2.2620 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6290 -1.2040 3.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6200 -1.4000 4.8400 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1170 -0.1320 5.2490 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5040 -2.4660 4.5260 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2850 -1.9820 6.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3820 -1.1980 7.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0910 -1.6510 8.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7070 -2.8960 8.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6070 -3.6810 7.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8920 -3.2240 6.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7800 -4.0610 4.9790 N 0 3 0 0 0 0 0 0 0 0 0 0 1.3140 -5.1560 4.9420 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1530 -3.6570 4.0160 O 0 5 0 0 0 0 0 0 0 0 0 0 2.6130 -3.4780 9.8200 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4440 -2.1210 11.0120 C 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 -1.0200 -0.3810 0.0100 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 0.7330 -1.5870 -1.2630 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 1.1040 -2.1660 3.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3820 -0.4860 3.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0960 -0.2300 7.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1670 -1.0380 9.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0840 -4.6490 7.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -1.2100 10.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3890 -1.9620 11.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9750 -2.3750 11.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 25 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 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 31 1 0 0 0 0 13 14 1 0 0 0 0 13 32 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 33 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 21 34 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M END