IFLAB-ZINC04393545 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 44 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3770 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 1.2080 -0.6810 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3990 0.0230 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3870 1.4040 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1770 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1620 3.4850 0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2880 4.3700 0.0030 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3900 4.7540 -1.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6710 4.0900 0.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3130 5.7710 0.9150 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6350 5.8370 2.2980 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2780 6.1520 -0.0560 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7340 6.6780 0.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7290 5.5550 0.8540 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7010 5.2780 1.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3850 5.6020 0.3230 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0670 4.3060 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0640 3.9260 -0.2180 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4210 6.7340 0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6990 6.6050 -0.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 7.7240 -0.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0130 8.9730 -0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7390 9.1040 0.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 7.9870 0.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7900 10.0660 -0.3490 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2240 -2.1610 -0.0200 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1760 -2.7810 -0.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2860 -2.7580 -0.0330 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5560 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3390 -0.5090 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3170 1.9520 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6320 3.4680 1.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2790 3.6180 -0.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 7.4860 1.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6870 7.0510 -0.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0720 5.6310 -0.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4860 7.6240 -0.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3670 10.0790 0.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0470 8.0890 0.9310 H 0 0 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 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 15 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 2 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 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 20 1 0 0 0 0 18 19 2 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M END