IFLAB-ZINC00125875 MOE2007 3D CORINA 3.40 0006 02.08.2006 34 34 0 0 1 0 0 0 0 0999 V2000 0.4530 0.9130 -0.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -0.4410 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7290 -0.6890 1.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4950 -0.4400 0.2070 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7470 0.2740 0.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9430 -1.8180 0.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7440 -2.4200 -0.0550 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1700 -0.0590 -1.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0730 1.3280 -1.0960 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.2460 2.3680 -0.5910 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6660 1.3650 -2.3870 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3950 1.1400 0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4940 1.9920 1.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5310 1.8440 2.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4690 0.8460 1.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3710 -0.0050 0.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3360 0.1450 -0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2330 -0.7620 -1.2970 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.1240 -1.5610 -1.5270 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2580 -0.7110 -2.0250 O 0 5 0 0 0 0 0 0 0 0 0 0 1.5400 0.9490 -0.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0270 1.0450 -1.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 1.7100 0.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2830 -1.2300 -0.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4660 0.1000 2.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4200 -1.6530 1.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8080 -0.6900 1.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0880 -0.6190 -1.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7610 2.7720 1.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6080 2.5090 2.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2790 0.7300 2.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1040 -0.7850 0.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4530 -2.3770 1.7380 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7700 -3.2620 1.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 24 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 6 7 2 0 0 0 0 6 33 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 29 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 15 16 2 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 33 34 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M END