PUBCHEM-ZINC01973744 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 50 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -0.4980 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 -2.0270 -1.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4440 -2.5130 -2.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8870 -1.7150 -3.3030 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5830 -3.8350 -2.7270 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2320 -4.2820 -3.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 -5.6010 -4.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1350 -5.7810 -5.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4540 -4.6200 -6.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8900 -3.2650 -5.0650 S 0 0 0 0 0 0 0 0 0 0 0 0 4.1920 -4.4960 -7.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4720 -7.1070 -6.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9020 -7.5160 -7.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2190 -8.7520 -7.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1000 -9.5850 -7.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6690 -9.1840 -5.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3640 -7.9480 -5.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4360 -10.9100 -7.6410 N 0 3 0 0 0 0 0 0 0 0 0 0 3.9360 -11.2650 -8.6930 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2110 -11.6450 -7.0560 O 0 5 0 0 0 0 0 0 0 0 0 0 1.9640 -6.7100 -3.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8560 -7.1810 -3.5180 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7700 -7.2100 -2.3880 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2480 -8.3100 -1.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2950 -8.7400 -0.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 -0.1360 -2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7410 -0.1200 -1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2660 -2.3880 -0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2840 -2.4050 -1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2290 -4.4740 -2.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4750 -4.4750 -8.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7740 -3.5740 -7.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8600 -5.3480 -7.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2130 -6.8680 -7.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 -9.0710 -8.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3570 -9.8380 -5.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8130 -7.6340 -4.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3420 -7.9890 -1.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0150 -9.1500 -2.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2000 -9.0600 -1.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5270 -7.9000 0.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 -9.5650 0.0270 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 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 37 1 0 0 0 0 8 9 2 0 0 0 0 8 12 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 14 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 13 40 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 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 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 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M END