IBS-ZINC05137833 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 46 0 0 0 0 0 0 0 0999 V2000 0.0560 1.0430 0.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1790 -0.4780 0.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2140 -1.1080 0.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8430 -0.8400 -1.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2200 -0.3380 -1.0740 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0240 -0.5470 -2.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5320 -1.2040 -3.2200 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2760 -1.4230 -4.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5850 -0.9530 -4.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0670 -0.2680 -3.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2630 -0.0810 -2.1740 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3650 0.2180 -3.2020 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3780 1.6830 -3.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8220 2.1850 -3.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5890 0.1020 -2.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1450 -0.4000 -2.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9770 2.0820 -2.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4460 -1.1770 -5.5130 N 0 3 0 0 0 0 0 0 0 0 0 0 5.4650 -0.3600 -6.4160 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1340 -2.1790 -5.5850 O 0 5 0 0 0 0 0 0 0 0 0 0 2.7530 -2.1110 -5.3860 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0480 1.4920 0.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5510 1.4200 -0.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4180 1.3010 1.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7850 -0.8540 1.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8200 -0.7320 -0.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1260 -2.1920 0.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6870 -0.8500 1.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8510 -1.9240 -1.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2850 -0.3880 -1.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5670 0.1410 -0.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8040 2.1180 -3.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9330 1.9750 -2.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2570 1.9160 -4.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8350 3.2690 -3.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1630 -0.3330 -1.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0340 -0.1910 -3.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7100 -0.1320 -1.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1310 -1.4840 -2.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9590 3.1610 -1.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4610 1.8600 -3.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5320 1.6080 -1.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8400 -2.4360 -5.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3010 -2.2680 -6.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6020 1.5670 -2.0680 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 25 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 21 1 0 0 0 0 9 10 2 0 0 0 0 9 18 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 14 45 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 15 45 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 17 45 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M END