IFLAB-ZINC05154852 MOE2007 3D CORINA 3.40 0006 02.08.2006 34 35 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 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7310 -0.5030 1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1070 -0.8900 2.1830 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0730 -0.5190 1.2440 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7080 -1.0120 2.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6960 -0.6310 0.0150 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.2520 -0.0400 -1.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5280 -0.3040 -1.9470 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1190 -0.8120 -1.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9710 0.1400 -3.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1130 -0.0920 -3.5050 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0970 0.8730 -3.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8080 1.1140 -3.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4270 0.6520 -2.3070 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8580 1.8850 -4.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4380 2.1270 -3.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3180 2.8450 -4.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9170 3.3240 -5.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3670 3.0870 -6.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2540 2.3650 -5.5900 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 2.4000 -2.0430 2.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7910 -0.9710 2.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4090 -0.3940 3.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4210 1.2420 -4.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7520 1.7540 -2.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3220 3.0340 -4.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6090 3.8860 -6.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6740 3.4630 -7.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2550 2.1770 -5.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 16 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 30 1 0 0 0 0 19 20 1 0 0 0 0 19 31 1 0 0 0 0 20 21 2 0 0 0 0 20 32 1 0 0 0 0 21 22 1 0 0 0 0 21 33 1 0 0 0 0 22 34 1 0 0 0 0 M END