NCID-ZINC04721835 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 42 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6520 -0.5700 -1.1380 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6600 -0.1660 -1.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7230 -2.0920 -0.9820 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2540 -2.5200 -1.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6990 -2.6590 -0.9280 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2140 -2.2680 -0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4520 -2.2390 -2.1930 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4820 -2.5920 -2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4400 -0.7120 -2.3030 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9630 -0.2820 -1.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0880 -0.2480 -2.3170 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1390 -0.2880 -3.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2300 1.1380 -3.6420 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8140 -2.8070 -3.3390 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6400 -4.1210 -0.8520 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5860 -4.7140 -0.7190 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.5310 -5.3080 -0.5870 N 0 5 0 0 0 0 0 0 0 0 0 0 1.6000 -2.5030 0.5520 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2770 -1.8850 0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1430 -2.1560 1.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8470 -3.3420 1.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6410 -3.5910 2.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7330 -2.6530 3.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0300 -1.4660 3.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2390 -1.2160 2.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5660 -0.6430 -4.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1400 -0.7170 -3.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6640 1.4780 -4.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2400 -2.5820 -4.1780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6960 -2.3900 -0.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2400 -0.8110 0.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7760 -4.0750 0.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1900 -4.5180 2.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3530 -2.8480 4.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1010 -0.7340 4.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6930 -0.2870 2.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 13 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 20 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 17 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 16 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 17 18 2 0 0 0 0 18 19 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 37 1 0 0 0 0 24 25 1 0 0 0 0 24 38 1 0 0 0 0 25 26 2 0 0 0 0 25 39 1 0 0 0 0 26 27 1 0 0 0 0 26 40 1 0 0 0 0 27 41 1 0 0 0 0 M CHG 1 18 1 M CHG 1 19 -1 M END