IBS-ZINC05163323 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 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 3 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7410 -0.5120 1.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7050 -2.0430 1.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7510 -2.5140 1.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4140 -2.0030 0.0290 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5350 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6930 -2.5170 -0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7170 -1.6820 -0.1890 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9610 -2.1410 -0.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1780 -3.5160 -0.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0770 -4.3610 -0.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8610 -3.8300 -0.1060 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2450 -5.7370 -0.2250 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0800 -6.6180 -0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5380 -8.0770 -0.1500 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.2960 -8.2560 0.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3350 -9.0240 0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6330 -10.2170 -0.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9810 -9.8490 -1.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0540 -8.4080 -1.4580 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5460 -4.0660 -0.4470 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.0110 -4.2960 -1.5490 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2080 -4.2880 0.5510 O 0 5 0 0 0 0 0 0 0 0 0 0 -6.0270 -1.2610 -0.4080 N 0 0 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 1.7760 -0.1720 1.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 -0.1280 2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2260 -2.4280 0.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1920 -2.4100 2.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7800 -3.6040 1.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2670 -2.1410 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9470 -0.1700 0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9570 -0.1860 -0.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1340 -6.1160 -0.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4000 -6.4290 -0.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5670 -6.4220 0.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4080 -8.5320 -0.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2820 -9.3560 1.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8530 -10.3140 -1.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7270 -11.1380 -0.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9940 -10.1710 -2.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8070 -10.3010 -0.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8690 -0.3040 -0.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9310 -1.6020 -0.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 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 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 26 1 0 0 0 0 12 13 2 0 0 0 0 12 23 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 22 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 M CHG 1 23 1 M CHG 1 25 -1 M END