IBS-ZINC05248925 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 43 0 0 1 0 0 0 0 0999 V2000 0.3920 2.7630 -1.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6840 1.4210 -0.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0740 0.3680 -1.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3680 -0.9820 -1.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7410 -1.9900 -2.2510 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0950 -2.1080 -2.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9680 -1.3880 -2.0910 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4180 -3.1660 -3.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7050 -3.3710 -3.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2350 -4.2930 -4.7200 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6340 -4.5080 -5.0660 C 0 0 3 0 0 0 0 0 0 0 0 0 7.2870 -4.2350 -4.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0040 -3.7400 -6.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1040 -2.2360 -6.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6060 -1.3780 -7.6200 S 0 0 0 0 0 0 0 0 0 0 0 0 7.8280 0.2840 -6.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8440 -6.0120 -5.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8520 -6.5990 -5.9270 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3630 -3.9740 -4.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5520 -4.8410 -5.0270 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0990 -3.6840 -3.7390 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7230 -2.7480 -2.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4690 -2.6190 -2.5370 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2710 3.1400 -2.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4340 2.6820 -2.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1140 3.5010 -0.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4930 1.5430 -0.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2030 1.0890 -0.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2660 0.2530 -2.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9560 0.7080 -2.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1790 -0.8700 -0.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4850 -1.3240 -0.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4820 -2.7690 -3.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5850 -4.9490 -5.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9680 -4.1080 -6.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2610 -3.9390 -7.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1410 -1.8240 -5.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8450 -2.0340 -5.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1280 0.9630 -7.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8920 0.6470 -6.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6100 0.2820 -6.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3520 -4.2280 -4.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9840 -6.4700 -5.0960 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 22 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 19 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 18 2 0 0 0 0 17 43 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 23 2 0 0 0 0 M CHG 1 43 -1 M END