IBS-ZINC02227719 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 51 0 0 1 0 0 0 0 0999 V2000 0.1120 1.5780 -0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1040 0.0600 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3200 -0.4960 -0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3240 -2.0250 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7560 -2.5800 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8200 -4.1110 0.1420 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.3450 -4.3700 1.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2700 -4.6790 0.1360 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.7550 -4.4170 -0.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2460 -6.2170 0.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1110 -4.1080 1.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5860 -4.4800 1.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1720 -4.7720 0.1990 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2020 -4.4000 2.4720 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.6150 -4.6950 2.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8660 -5.2400 4.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3500 -5.5000 4.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1910 -4.2560 4.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9470 -3.7060 2.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4640 -3.4450 2.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0100 -4.7520 -1.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4220 -4.5120 -2.1790 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1400 1.9530 -0.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3550 1.9270 -1.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4310 2.0160 0.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6810 -0.3450 -0.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6050 -0.2570 0.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8950 -0.0830 0.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8180 -0.1740 -1.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7400 -2.4250 -0.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8310 -2.3460 0.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3110 -2.0920 0.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2410 -2.2820 -0.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7200 -6.5400 1.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2560 -6.6360 0.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7480 -6.6710 -0.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6890 -4.4340 2.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0980 -3.0130 1.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6570 -4.1120 3.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8950 -5.4680 1.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3010 -6.1680 4.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4930 -4.5280 4.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6900 -6.3190 3.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4980 -5.8280 5.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2540 -4.4960 4.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9510 -3.4850 4.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3230 -4.4200 1.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5120 -2.7770 2.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1240 -2.6210 3.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3250 -3.1080 1.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0240 -5.4460 -0.6290 O 0 5 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 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 21 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 15 40 1 0 0 0 0 16 17 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 43 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 22 2 0 0 0 0 21 51 1 0 0 0 0 M CHG 1 51 -1 M END