IBS-ZINC00494150 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 1 0 0 0 0 0999 V2000 -0.3290 -1.3190 2.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6340 -1.0500 1.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5570 -0.1960 2.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3480 -0.3540 0.1880 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6420 -1.1020 -0.9940 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1430 -0.3380 -2.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2720 -0.1570 -2.1010 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9970 -1.2460 -1.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3690 -1.2530 -1.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1190 -2.3500 -1.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5050 -3.4450 -0.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1380 -3.4450 -0.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3790 -2.3470 -1.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9670 -2.3640 -0.9450 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1280 -1.3240 -1.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0040 -0.3210 -0.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3680 -0.5240 -0.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8560 -1.7300 -1.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9800 -2.7320 -1.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6160 -2.5270 -1.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3170 -1.9470 -1.3960 N 0 3 0 0 0 0 0 0 0 0 0 0 -8.0890 -1.0640 -1.0670 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7470 -3.0090 -1.8090 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.5460 -1.8500 3.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3300 -1.9270 1.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1600 -0.3720 2.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1230 -1.9960 1.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5410 -0.1350 1.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6490 -0.6520 3.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1400 0.8060 2.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3610 -0.9130 -3.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6350 0.6330 -2.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8520 -0.3990 -2.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1880 -2.3540 -1.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0940 -4.3010 -0.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6600 -4.3010 -0.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6230 0.6210 -0.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0530 0.2590 -0.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3620 -3.6740 -2.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9320 -3.3090 -1.8670 H 0 0 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 27 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 14 1 0 0 0 0 5 15 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 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 11 12 2 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END