IBS-ZINC02335062 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 0 0 0 0 0 0999 V2000 0.4040 0.7650 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0470 -0.6020 0.0710 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1200 -1.3760 1.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6780 -2.5310 0.8930 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9050 -2.5500 -0.4600 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5120 -1.3960 -0.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5590 -0.9120 -2.6000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.5430 -2.2610 -3.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8280 -1.9430 -4.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8550 -1.3490 -5.0790 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8220 -2.3830 -5.6100 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7780 -2.2700 -7.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7920 -1.6880 -7.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6750 -1.6180 -9.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5350 -2.1300 -9.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4830 -2.7190 -9.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3590 -2.7850 -7.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3990 -2.0630 -11.5920 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4510 -3.2120 -11.8910 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7890 -2.2060 -12.0180 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2570 -0.6520 -11.9190 N 0 5 0 0 0 0 0 0 0 0 0 0 1.1810 -0.6790 -11.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2970 -0.9980 2.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5400 -0.4220 2.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8790 -0.0970 4.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9620 -0.3700 5.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2420 -0.9400 4.9230 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5410 -1.2480 3.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4600 0.7580 -0.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1880 1.2960 -0.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2650 1.2740 0.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0060 -3.2120 -3.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4980 -2.3580 -2.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0180 -2.8320 -5.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6900 -1.2800 -7.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4670 -1.1660 -9.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3650 -3.1220 -9.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1630 -3.2460 -7.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2580 -0.2360 2.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8380 0.3510 4.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1800 -0.1350 6.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5130 -1.7160 3.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 3 4 2 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 38 1 0 0 0 0 18 19 2 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 39 1 0 0 0 0 25 26 1 0 0 0 0 25 40 1 0 0 0 0 26 27 2 0 0 0 0 26 41 1 0 0 0 0 27 28 1 0 0 0 0 28 42 1 0 0 0 0 M CHG 1 21 -1 M END