IBS-ZINC05163752 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 0 0 0 0 0 0999 V2000 1.2090 1.4430 0.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2490 0.0140 0.3320 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2520 -0.5980 -0.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2170 0.1620 -2.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2200 -0.4570 -3.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2580 -1.8390 -3.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2940 -2.6050 -2.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2970 -1.9810 -0.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3320 -4.0030 -2.2810 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 0.2790 -4.1720 -0.2020 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 -0.0410 -6.2630 0.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5810 -6.8560 -0.2780 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 -0.3320 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4260 -8.6360 -1.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 -9.8950 -1.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2020 -11.0640 -1.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8480 -10.9820 0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4420 -10.1800 0.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5270 -8.9080 -0.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5390 -7.0840 1.9430 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.6790 -7.5140 1.9260 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1900 -7.3300 2.8870 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.7940 -4.2430 1.8970 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2600 -2.4480 -4.5790 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2220 -1.6000 -5.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0820 1.8330 -0.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3030 1.7820 -0.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2110 1.8020 1.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1860 1.2400 -1.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1920 0.1370 -4.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3290 -2.5730 -0.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6860 -4.4330 -3.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6810 -8.7400 -2.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1290 -7.8540 -1.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -10.1150 -2.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8980 -9.7960 -0.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2950 -10.9900 -1.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7000 -12.0120 -1.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -11.9930 0.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6720 -10.5090 0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3030 -10.8130 0.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4710 -9.8940 1.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2580 -8.2280 0.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8580 -9.1820 -1.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8890 -3.2770 1.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1280 -4.7640 2.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2280 -2.2110 -6.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3140 -0.9960 -5.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0940 -0.9460 -5.7260 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 2 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 35 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 26 1 0 0 0 0 13 14 2 0 0 0 0 13 23 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 22 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 M CHG 1 23 1 M CHG 1 25 -1 M END