IFLAB-ZINC00214864 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 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 0.6930 -0.4770 1.1600 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8020 -1.8240 1.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4600 -2.3530 2.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5700 -3.7220 2.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0240 -4.5660 1.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3670 -4.0410 0.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 -2.6730 0.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1440 -6.0590 1.7640 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9660 -6.2550 2.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1320 -6.5650 2.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8520 -7.5000 1.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1280 -8.0420 2.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7910 -6.9670 3.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8080 -6.5360 4.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5340 -6.0600 3.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1510 -5.2280 4.2070 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4320 -7.9650 0.5300 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6840 -7.5550 -0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0850 -8.2280 -1.6050 S 0 0 0 0 0 0 0 0 0 0 0 0 1.5030 -6.6310 0.4550 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 -1.0200 -0.3810 0.0100 H 0 0 0 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 1.8880 -1.6940 3.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0820 -4.1340 3.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0580 -4.7020 -0.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2670 -2.2640 -0.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8070 -8.3340 1.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9000 -8.9120 2.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0460 -6.1070 2.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6940 -7.3700 3.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2450 -5.7270 4.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5920 -7.3840 4.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9760 -8.6340 0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3070 -6.3490 -0.0080 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 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 22 1 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 39 1 0 0 0 0 M END