IFLAB-ZINC02699295 MOE2007 3D CORINA 3.40 0006 02.08.2006 26 27 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 3 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 0.7180 -0.4980 -1.2570 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1990 -0.1570 -2.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1600 -0.0380 -1.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4820 1.1300 -1.2770 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0360 -1.0290 -1.2640 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6400 -2.3040 -1.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3640 -3.2800 -1.2480 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8620 -2.3160 -1.2460 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4120 -0.5260 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8080 -1.2230 -0.8970 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2360 -0.2170 1.0330 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5400 -0.6980 1.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4120 -0.4620 1.9730 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6080 -1.0000 1.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7530 -1.7250 0.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2300 -1.6820 -0.1730 S 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 3.9840 -0.8260 -1.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9200 0.3410 1.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4040 -0.8630 2.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6500 -2.2440 0.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 12 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 11 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 23 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 24 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 25 1 0 0 0 0 18 19 1 0 0 0 0 18 26 1 0 0 0 0 M END