NCID-ZINC05706682 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 44 0 0 1 0 0 0 0 0999 V2000 0.2810 0.9020 -0.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1320 -0.4910 0.0830 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5110 -0.5090 1.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9460 -1.4890 -0.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2110 -2.3660 -1.3520 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2740 -0.9150 0.1130 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2360 -0.4360 0.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0770 0.4430 1.8020 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6010 -1.0950 0.7840 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.8750 -1.0630 -0.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5570 -2.5290 1.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1840 -3.3610 1.4610 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.0810 -2.9860 -0.3510 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.2420 -4.1390 -1.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7830 -5.5730 -1.4430 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.8690 -5.5720 -1.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1280 -6.3500 -2.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0910 -6.9950 -2.4430 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7900 -6.2200 -3.7890 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3760 -6.8150 -5.0680 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.3230 -6.5590 -5.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5560 -8.3280 -5.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2370 -6.2390 -6.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1680 -5.4660 -5.8360 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3280 1.2210 -0.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0880 0.9330 -1.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2880 1.6410 0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4320 -1.6540 -0.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9100 -3.1540 0.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1120 -2.5400 2.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3980 -3.7280 -2.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1590 -4.1080 -1.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6510 -5.6770 -3.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9720 -8.7940 -4.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6060 -8.6000 -4.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2340 -8.7730 -6.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1930 -1.3180 -0.8300 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.9150 -6.5930 -7.4000 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.5030 -6.2800 -0.1790 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5430 -5.6140 0.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5350 -6.6170 -0.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6400 -0.2910 1.5120 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.5250 -0.8100 1.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8260 0.5880 1.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2850 -0.0340 2.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 4 5 2 0 0 0 0 4 37 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 42 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 13 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 16 1 0 0 0 0 15 17 1 0 0 0 0 15 39 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 23 24 2 0 0 0 0 23 38 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 42 45 1 0 0 0 0 M CHG 1 37 -1 M CHG 1 38 -1 M CHG 1 42 1 M END