PUBCHEM-ZINC06184087 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 63 0 0 0 0 0 0 0 0999 V2000 0.3670 1.4760 0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3860 -0.0300 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2270 -0.7600 1.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2440 -2.1400 1.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4210 -2.7950 -0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5800 -2.0590 -1.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5570 -0.6780 -1.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4390 -4.1920 -0.1070 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0460 -4.8380 -1.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4090 -4.2060 -2.1620 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1330 -6.2520 -1.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1450 -7.0700 -2.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2380 -8.3600 -1.8620 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2830 -8.3260 -0.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2140 -7.0570 -0.0760 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.2320 -6.7430 1.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3180 -7.7170 2.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3880 -9.0530 1.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3780 -9.3570 0.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2820 -9.5090 -2.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8140 -9.8570 -3.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7670 -10.9900 -4.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3690 -11.7770 -4.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4630 -11.4330 -3.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4200 -10.3040 -2.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0570 -6.5450 -3.9860 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.8200 -6.3420 -4.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9930 -5.8850 -5.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0210 -5.7120 -6.4730 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3420 -5.6470 -6.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5060 -5.2220 -7.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7730 -5.0010 -8.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8810 -5.1990 -7.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7260 -5.6190 -6.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4660 -5.8500 -5.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6150 -4.8930 -8.0090 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 1.8480 0.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0210 1.8660 -0.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2700 1.8050 0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 -0.2500 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1210 -2.7100 2.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7170 -2.5650 -2.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6760 -0.1050 -2.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8000 -4.6970 0.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1770 -5.7050 1.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3310 -7.4470 3.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4570 -9.8350 2.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4300 -10.3850 0.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7020 -9.2420 -3.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6200 -11.2610 -4.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4030 -12.6630 -4.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3490 -12.0500 -3.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2730 -10.0390 -2.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3310 -7.2950 -4.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2450 -5.5990 -3.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6430 -5.0670 -8.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9020 -4.6730 -9.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5940 -5.7710 -5.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3460 -6.1830 -4.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 40 1 0 0 0 0 4 5 1 0 0 0 0 4 41 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 42 1 0 0 0 0 7 43 1 0 0 0 0 8 9 1 0 0 0 0 8 44 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 26 1 0 0 0 0 13 14 1 0 0 0 0 13 20 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 16 17 1 0 0 0 0 16 45 1 0 0 0 0 17 18 2 0 0 0 0 17 46 1 0 0 0 0 18 19 1 0 0 0 0 18 47 1 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 22 50 1 0 0 0 0 23 24 2 0 0 0 0 23 51 1 0 0 0 0 24 25 1 0 0 0 0 24 52 1 0 0 0 0 25 53 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 30 35 2 0 0 0 0 31 32 2 0 0 0 0 31 56 1 0 0 0 0 32 33 1 0 0 0 0 32 57 1 0 0 0 0 33 34 2 0 0 0 0 33 36 1 0 0 0 0 34 35 1 0 0 0 0 34 58 1 0 0 0 0 35 59 1 0 0 0 0 M CHG 1 15 1 M END