IBS-ZINC00174776 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 38 0 0 1 0 0 0 0 0999 V2000 -0.4100 0.6510 0.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5800 1.5350 1.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9280 1.2750 0.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3030 0.1230 0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2920 -0.7490 -0.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0540 -0.4920 -0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6290 -0.2290 -0.2830 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8770 0.2480 0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2230 1.2290 1.4290 S 0 0 0 0 0 0 0 0 0 0 0 0 5.8490 -0.2500 -0.7380 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3310 -0.2020 -0.6530 C 0 0 3 0 0 0 0 0 0 0 0 0 7.6450 0.7350 -0.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9110 -1.4450 0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8540 -1.3970 1.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9620 -2.2110 2.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9270 -2.1670 3.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7810 -1.3090 4.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6750 -0.4940 3.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7120 -0.5410 2.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7170 -1.2930 5.7120 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3230 -0.6040 6.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9430 -0.2920 -2.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1450 -0.7680 -2.9490 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4540 0.8570 0.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3070 2.4370 1.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6480 2.0200 1.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5410 -1.6530 -0.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8210 -1.1840 -0.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6940 -0.9940 -0.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5760 -0.6970 -1.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3940 -2.3470 -0.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9660 -1.5970 -0.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2870 -2.8780 1.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2340 -2.7960 4.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3460 0.1800 4.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4110 0.0960 1.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1330 0.1130 -2.2010 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 22 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 22 23 2 0 0 0 0 22 37 1 0 0 0 0 M CHG 1 37 -1 M END