IBS-ZINC02401455 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 42 0 0 1 0 0 0 0 0999 V2000 -0.6940 0.3760 -1.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3180 -0.7690 -0.3310 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0870 -1.5780 -0.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7950 -0.3360 0.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1880 -1.4660 1.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 -2.0310 2.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1220 -2.4680 1.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5450 -1.3410 0.4150 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2340 -1.7670 -0.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2770 -0.3110 1.1430 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7810 0.4890 1.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6300 -0.3860 1.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3420 -1.3130 1.0100 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0760 0.6930 2.0930 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4620 1.4640 2.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4580 0.9130 2.5380 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.1370 0.5330 1.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7480 0.2500 3.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7280 -1.2770 3.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2560 -1.9920 5.4220 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.1150 -3.7410 4.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7200 2.4330 2.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6620 3.1240 2.8900 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1720 0.6800 -1.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4840 0.0650 -1.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0450 1.2570 -0.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6790 -0.0220 0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4750 0.5350 1.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6690 -2.2690 1.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9290 -1.1010 2.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2980 -2.8860 2.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4050 -1.2750 3.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7610 -3.3190 0.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9820 -2.8260 1.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0140 0.5930 4.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7340 0.5780 4.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4040 -1.6320 3.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7170 -1.6390 3.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7820 -3.9800 4.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0840 -3.9840 4.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4010 -4.3510 5.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9310 2.7890 2.7670 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 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 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 22 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 23 2 0 0 0 0 22 42 1 0 0 0 0 M CHG 1 42 -1 M END