IFLAB-ZINC04248455 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 1 0 0 0 0 0999 V2000 1.5650 0.4690 0.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5310 -0.5550 -0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2440 -0.7280 -1.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6720 -1.6340 -1.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3250 -2.3860 -0.9110 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2800 -3.3580 -1.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5790 -3.7770 0.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8350 -3.0830 1.1510 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0880 -2.2550 0.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1160 -1.2950 0.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5410 -4.8220 0.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8390 -6.0200 1.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7640 -7.1090 1.5030 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6190 -7.1920 2.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6310 -6.3610 3.4820 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5220 -8.4430 2.5570 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.8390 -9.3040 2.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3890 -8.4960 3.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6060 -7.6150 3.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0620 -7.1000 2.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4450 -7.3950 1.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4390 -8.5550 1.3160 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.0120 -9.4890 1.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7680 -8.7040 -0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5020 -8.8060 -0.0300 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2620 1.4620 -0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7160 0.5330 1.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5290 0.2190 -0.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7760 -0.1230 -2.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9330 -1.8150 -2.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6520 -3.6640 -2.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0790 -1.1870 1.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2560 -4.3860 1.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1310 -5.1560 -0.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0430 -6.3990 0.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3880 -5.7410 2.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8270 -7.8750 0.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7290 -9.5250 4.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7990 -8.2160 4.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1110 -7.3790 4.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9290 -6.4440 2.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2550 -7.6380 0.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9670 -6.4820 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5400 -8.7060 -1.0560 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 10 2 0 0 0 0 3 4 2 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 6 7 2 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 22 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 2 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 21 22 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 24 44 1 0 0 0 0 M CHG 1 44 -1 M END