IBS-ZINC02392610 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 42 0 0 0 0 0 0 0 0999 V2000 -0.0780 0.6510 2.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2280 -0.7520 1.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3350 -1.6540 2.7380 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3070 -2.9990 2.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4700 -3.5330 1.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4280 -4.9170 0.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2300 -5.7670 2.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0770 -5.2450 3.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1250 -3.8630 3.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -3.2600 4.7800 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1120 -4.1000 5.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1580 -3.2630 7.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1950 -2.5830 8.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6500 -5.4440 -0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2230 -6.1790 -1.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6140 -6.5550 -0.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6830 -7.7130 -0.0180 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.2300 -6.7660 -2.6820 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1600 -6.1690 -3.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1830 -6.9820 -3.9670 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8950 -4.0080 -4.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0300 -6.1410 -4.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4960 -4.8840 -4.4740 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2730 -4.8880 -3.9280 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3580 -6.4330 -5.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8130 0.7190 2.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 1.3860 1.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9370 0.9100 2.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1360 -0.7950 1.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6510 -0.9880 1.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6310 -2.8910 0.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1920 -6.8460 1.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 -5.9520 4.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7560 -4.7670 5.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0320 -4.6940 5.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2280 -1.9760 9.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6140 -5.1810 -0.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3980 -6.1370 -6.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1400 -5.8940 -4.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5770 -7.5030 -5.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5030 -5.6600 -0.6240 O 0 0 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 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 14 1 0 0 0 0 7 8 2 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 3 0 0 0 0 13 36 1 0 0 0 0 14 15 2 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 41 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 22 2 0 0 0 0 21 23 1 0 0 0 0 22 23 1 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 M CHG 1 17 -1 M END