IBS-ZINC04871990 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 52 0 0 0 0 0 0 0 0999 V2000 0.2750 1.7870 -1.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3490 0.3050 -2.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6740 -0.4650 -1.1730 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7780 -1.8090 -1.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0920 -2.6160 -0.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1990 -3.9810 -0.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9920 -4.5520 -1.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6780 -3.7380 -2.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5670 -2.3740 -2.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1070 -6.0160 -1.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6840 -6.5640 -3.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0680 -5.8190 -3.9640 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7810 -7.9030 -3.2260 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3360 -8.7240 -2.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -10.1070 -2.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9780 -10.9180 -1.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4390 -10.3650 -0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3420 -9.0120 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7900 -8.1640 -1.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6990 -6.8270 -0.8930 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1510 -6.2880 0.2960 O 0 5 0 0 0 0 0 0 0 0 0 0 2.3310 -8.4600 -4.4060 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7450 -8.6600 -4.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2200 -9.2520 -5.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6120 -8.4240 -6.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0480 -8.9670 -7.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0930 -10.3400 -8.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7020 -11.1690 -7.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2710 -10.6250 -5.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4940 1.9310 -1.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2390 2.1100 -1.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0270 2.3740 -2.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6150 -0.0180 -2.7250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1180 0.1610 -3.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2510 -2.1740 0.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4430 -4.6070 0.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5180 -4.1760 -3.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3190 -1.7440 -3.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8420 -10.5440 -3.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0480 -11.9910 -1.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0930 -11.0130 0.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0800 -8.5930 0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2410 -7.7040 -4.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9830 -9.3400 -3.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5760 -7.3520 -6.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3530 -8.3200 -8.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4330 -10.7650 -8.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7380 -12.2410 -7.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9690 -11.2720 -4.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 20 2 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 22 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 17 18 2 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 27 28 2 0 0 0 0 27 47 1 0 0 0 0 28 29 1 0 0 0 0 28 48 1 0 0 0 0 29 49 1 0 0 0 0 M CHG 1 20 1 M CHG 1 21 -1 M END