OTAVA-ZINC05371238 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 0 0 1 0 0 0 0 0999 V2000 -0.4290 1.7750 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 0.3220 -0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5450 -0.2180 1.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9750 -1.6830 1.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6120 -2.2460 2.3320 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5140 -1.6400 2.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2030 -3.6790 2.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4920 -4.2390 3.2970 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7470 -2.0800 3.5370 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1350 -1.1680 4.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0940 -0.4080 4.4660 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1920 -1.1900 5.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3700 -0.4030 6.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4870 -0.3210 7.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6540 -1.4130 8.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4430 -1.2920 9.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0560 -0.0780 10.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8970 1.0200 9.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1090 0.8970 8.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8060 0.0000 11.3370 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1400 0.9080 11.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0800 -2.2970 5.3500 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4210 -2.7830 3.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2100 -3.9160 2.8450 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4130 2.4100 0.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8140 2.1400 -0.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2200 1.8860 0.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8540 -0.2810 -0.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7690 0.2410 -0.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4010 0.3890 1.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2290 -0.1200 1.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1150 -2.2870 0.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7010 -1.7600 0.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2220 0.2750 6.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1670 -2.3630 8.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5710 -2.1400 10.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3710 1.9720 9.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9830 1.7590 7.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 -4.1130 1.0210 O 0 5 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 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 39 1 0 0 0 0 9 10 1 0 0 0 0 9 23 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 M CHG 1 39 -1 M END