IBS-ZINC01759818 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 55 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 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6820 -0.4720 -1.1930 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9630 -0.0920 -1.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4990 0.6120 -0.5220 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6520 -0.4920 -2.4430 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0460 -0.0790 -2.6200 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4330 -0.4960 -3.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8820 -0.5880 -1.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9080 -2.0950 -1.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9010 -2.7600 -2.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9260 -4.1410 -2.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9550 -4.8610 -1.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9600 -4.1910 -0.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9420 -2.8100 -0.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9780 -6.2200 -1.5110 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1200 1.4250 -2.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2170 2.0920 -2.2280 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1900 2.0250 -3.2200 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1940 3.4770 -3.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4650 3.9670 -3.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5100 4.1800 -5.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6760 4.6300 -5.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7960 4.8670 -5.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7510 4.6550 -3.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5840 4.2100 -3.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0450 5.3480 -5.7010 N 0 3 0 0 0 0 0 0 0 0 0 0 10.0840 5.5340 -6.9040 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0320 5.5570 -5.0190 O 0 5 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 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -0.1730 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4180 -1.6240 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9440 -0.1820 0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2240 -1.0540 -3.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9000 -0.2070 -1.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4420 -0.2430 -0.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6560 -2.2000 -2.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7020 -4.6600 -2.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2030 -4.7490 -0.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1700 -2.2880 -0.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4920 -6.6130 -0.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3370 3.8350 -3.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1360 3.8530 -2.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6340 3.9940 -5.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7110 4.7950 -6.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6270 4.8410 -3.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5480 4.0480 -2.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 41 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 19 1 0 0 0 0 11 12 1 0 0 0 0 11 42 1 0 0 0 0 11 43 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 44 1 0 0 0 0 14 15 1 0 0 0 0 14 45 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 46 1 0 0 0 0 17 47 1 0 0 0 0 18 48 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 51 1 0 0 0 0 25 26 1 0 0 0 0 25 52 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 53 1 0 0 0 0 28 54 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 M CHG 1 29 1 M CHG 1 31 -1 M END