IBS-ZINC02161186 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 49 0 0 1 0 0 0 0 0999 V2000 -0.4050 -2.1600 -1.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2850 -1.7860 0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6350 -2.2610 1.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -0.2820 0.1620 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2000 -0.0600 1.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4020 0.6640 0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3520 1.3710 -0.9500 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5690 0.0510 -0.9510 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8800 -0.3480 -1.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4720 -0.9940 -0.1940 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5630 0.0810 -2.3650 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.7830 0.4540 -3.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5350 1.2490 -2.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1520 1.7560 -3.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3050 3.1290 -3.0920 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.8150 3.4650 -4.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1670 -1.1220 -2.9730 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3540 -1.6510 -2.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9540 -2.6880 -2.9930 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3340 -3.3560 -4.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9470 -4.4920 -4.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3500 -5.1950 -5.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1310 -4.7670 -6.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5100 -3.6350 -5.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1160 -2.9380 -4.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4850 -1.7370 -4.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4200 -1.3410 -4.4870 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2430 -3.2420 -1.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8770 -1.8700 -2.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5770 -1.6790 -1.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2160 -2.3590 0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3780 -1.8700 1.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2310 -1.9610 2.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5630 -3.3550 1.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1110 0.6450 -1.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3190 0.9590 -1.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9790 2.0640 -1.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3650 2.1090 -4.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7070 0.9570 -3.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5320 4.2900 -4.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9510 3.7510 -5.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2950 2.5840 -5.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7990 -1.1240 -1.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8960 -4.8320 -4.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8370 -6.0790 -6.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6670 -5.3160 -6.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5570 -3.3020 -6.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3790 0.6320 1.0980 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 31 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 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 48 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 26 1 0 0 0 0 18 19 2 0 0 0 0 18 43 1 0 0 0 0 19 20 1 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 44 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 23 24 2 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 M CHG 1 48 -1 M END