IBS-ZINC05025523 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 51 0 0 0 0 0 0 0 0999 V2000 1.2080 1.4430 0.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2490 0.0150 0.3300 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2510 -0.5980 -0.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2150 0.1620 -2.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2170 -0.4580 -3.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2560 -1.8400 -3.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2920 -2.6060 -2.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2960 -1.9820 -0.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3310 -4.0030 -2.2820 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8650 -4.7710 -1.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2780 -4.1720 -0.2030 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1820 -4.8780 0.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0400 -6.2620 0.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5810 -6.8560 -0.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0120 -6.0870 -1.2740 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7440 -8.2320 -0.3310 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1540 -8.5870 -0.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3180 -10.1060 -0.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4430 -10.7740 -1.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0140 -10.3490 -1.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1100 -8.8240 -1.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5380 -7.0840 1.9440 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.6450 -7.5890 1.8870 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1590 -7.2540 2.9280 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.7940 -4.2420 1.8970 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2570 -2.4490 -4.5800 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2180 -1.6010 -5.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0800 1.8340 -0.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3010 1.7820 -0.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2100 1.8020 1.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1840 1.2400 -1.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1890 0.1360 -4.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3290 -2.5730 -0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6840 -4.4330 -3.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4740 -8.2460 -1.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7660 -8.1090 0.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3620 -10.3700 -0.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0120 -10.4460 0.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7740 -10.4640 -2.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5230 -11.8570 -1.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6360 -10.7880 -2.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -10.6930 -0.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1440 -8.5170 -1.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2200 -8.4810 -2.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8880 -3.2770 1.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1260 -4.7630 2.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3110 -0.9980 -5.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0900 -0.9470 -5.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2240 -2.2130 -6.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 2 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 25 1 0 0 0 0 13 14 2 0 0 0 0 13 22 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M END