NCID-ZINC04984103 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 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 0 0 0 0 0 0 0 0 0 0 0.7070 -0.4960 1.1830 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -1.6830 1.4720 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2130 -2.4570 0.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1520 -2.2740 2.8600 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.1530 -1.4890 3.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4510 -2.9310 2.7970 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2650 -2.2740 1.7860 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.2090 -1.9420 2.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4600 -1.1010 1.3110 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5740 -0.3010 2.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3620 -0.5170 0.0530 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5140 -3.1830 0.6650 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7490 -4.2540 0.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2600 -4.8400 -0.7330 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3820 -4.1830 -1.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5620 -3.1160 -0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6080 -2.3110 -0.3720 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4700 -2.5110 -1.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3450 -3.5010 -2.2120 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3250 -4.3510 -2.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2040 -5.3880 -3.0510 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9580 -3.2900 3.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7850 -3.8440 4.4850 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6300 -4.9490 4.6220 N 0 3 0 0 0 0 0 0 0 0 0 0 0.4760 -6.0540 4.7590 N 0 5 0 0 0 0 0 0 0 0 0 0 0.6990 -0.5060 -1.2640 C 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 -0.8510 -4.5710 0.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3100 -1.8390 -1.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4620 -6.0090 -2.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8610 -5.4940 -3.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9080 -4.0940 2.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9280 -2.7960 3.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7260 -0.1420 -1.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 -1.5960 -1.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1670 -0.1380 -2.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 13 1 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 11 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 24 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 15 16 2 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 33 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 34 1 0 0 0 0 23 35 1 0 0 0 0 24 25 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 25 26 2 0 0 0 0 26 27 2 0 0 0 0 28 38 1 0 0 0 0 28 39 1 0 0 0 0 28 40 1 0 0 0 0 M CHG 1 26 1 M CHG 1 27 -1 M END