IBS-ZINC05187346 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7400 -0.5120 1.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 -0.0980 2.4480 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3670 -0.6250 2.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0840 -0.1150 1.1740 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1590 0.9710 1.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3390 -0.5000 0.0140 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4860 -0.7230 1.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6720 -0.4940 3.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8150 -1.1540 3.4820 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4820 -1.5500 4.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9640 -1.2620 5.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7610 -0.5670 5.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1520 -0.1980 4.7760 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2080 -0.2580 7.1340 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0590 0.4740 7.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4450 0.6840 8.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4830 1.5320 9.3000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6760 -1.6850 7.0500 N 0 3 0 0 0 0 0 0 0 0 0 0 3.4970 -0.9460 7.5630 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4400 -2.7720 7.5460 O 0 5 0 0 0 0 0 0 0 0 0 0 3.6780 -2.2400 4.4360 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8020 -1.6000 1.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7450 -0.0900 1.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3390 -1.7140 2.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9000 -0.2850 3.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0520 -0.4320 1.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9970 -0.3600 0.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4100 -1.8090 1.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6590 -0.5260 7.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9480 1.4420 6.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8390 -0.0990 6.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4300 1.1490 8.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4700 -0.2790 9.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6650 1.7090 10.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0330 -2.4380 3.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1590 -2.5260 5.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 24 1 0 0 0 0 14 15 2 0 0 0 0 14 21 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 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 24 41 1 0 0 0 0 24 42 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END