IFLAB-ZINC05258141 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 54 0 0 1 0 0 0 0 0999 V2000 -0.7820 1.6240 -0.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5300 0.1630 -0.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1360 -0.4590 0.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -1.8160 0.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1050 -2.5800 0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5020 -1.9620 -0.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3010 -0.5980 -1.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9770 0.0170 -2.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1610 -3.9540 0.3250 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3220 -4.7600 1.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1080 -4.4470 2.2330 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1630 -6.1970 1.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4170 -6.8120 2.6310 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3300 -6.4160 3.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4770 -8.3460 2.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5700 -8.8960 2.8880 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3840 -6.3620 5.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6690 -6.2330 5.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3790 -6.0890 7.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6760 -5.9770 8.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4010 -5.8450 9.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7000 -5.7420 10.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1570 2.1850 -0.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2470 1.7670 -1.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4560 2.0520 0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7830 0.1100 1.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4220 -2.2400 1.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1460 -2.5420 -1.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6380 0.8310 -2.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5900 -0.7140 -2.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 0.4010 -3.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7770 -4.3820 -0.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6030 -6.7570 0.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0840 -6.2510 0.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2390 -5.4670 5.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1890 -7.2470 5.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2390 -5.3620 5.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3000 -7.1150 5.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8050 -6.9570 7.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7600 -5.2010 7.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2470 -5.1060 7.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2970 -6.8630 7.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8250 -6.7120 9.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7840 -4.9560 9.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2770 -4.8550 10.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3210 -6.6360 10.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4860 -8.8070 1.8250 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.7460 -6.5120 3.5800 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.2880 -5.6900 3.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3060 -7.3950 3.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3870 -5.6200 11.8440 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.2460 -5.5490 12.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8240 -4.7820 12.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8630 -6.4350 12.1900 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 48 1 0 0 0 0 15 16 2 0 0 0 0 15 47 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 17 48 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 22 51 1 0 0 0 0 48 49 1 0 0 0 0 48 50 1 0 0 0 0 51 52 1 0 0 0 0 51 53 1 0 0 0 0 51 54 1 0 0 0 0 M CHG 1 47 -1 M CHG 1 48 1 M CHG 1 51 1 M END