IBS-ZINC04795549 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 37 0 0 1 0 0 0 0 0999 V2000 -0.3860 0.3770 -1.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 -1.0120 -1.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0250 -1.6470 -2.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4090 -3.0920 -2.0380 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4700 -3.6630 -2.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2770 -3.8310 -3.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7870 -4.9200 -2.7010 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9450 -3.2100 -0.6480 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1470 -3.8050 0.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0030 -4.2130 0.1650 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8540 -3.8570 1.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4170 -4.3320 2.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1020 -4.8980 3.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -6.2410 3.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2380 -6.7860 3.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3770 -5.9880 3.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2960 -4.6500 3.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0530 -4.1050 3.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5670 -6.5610 4.0970 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2700 -5.8940 4.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4310 -3.1800 1.4560 S 0 0 0 0 0 0 0 0 0 0 0 0 3.1960 -2.7790 -0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3840 -1.9730 -1.0960 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4790 1.0430 -1.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 0.3370 -2.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0920 0.8130 -1.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4820 -0.9320 -0.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8570 -1.6440 -1.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5720 -1.6460 -3.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9150 -1.0140 -2.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0790 -4.3190 3.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8880 -6.8710 3.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3160 -7.8280 4.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1770 -4.0200 3.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9940 -3.0590 2.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3590 -3.2810 -4.2330 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 6 1 0 0 0 0 4 8 1 0 0 0 0 6 7 2 0 0 0 0 6 36 1 0 0 0 0 8 9 1 0 0 0 0 8 22 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 21 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 M CHG 1 36 -1 M END