PUBCHEM-ZINC06208956 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 1 0 0 0 0 0999 V2000 -0.6440 1.3160 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3550 -0.1080 0.0030 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2270 -0.7790 1.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 -2.0890 1.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2750 -2.8550 0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6510 -4.0240 0.0670 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0980 -2.1320 -1.0980 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2230 -2.6280 -1.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2130 -0.7860 -1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3340 -0.2680 -2.3140 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1030 -2.4130 2.6460 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1050 -1.2640 3.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1160 -1.0470 4.7350 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.2210 0.3620 5.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4600 0.5630 6.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0950 -1.8120 7.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1180 -2.1470 5.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3080 -0.1190 8.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3110 -0.2460 2.4410 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4820 0.7190 2.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2900 -3.8460 2.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7760 -4.2530 3.0670 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2420 -3.6300 3.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9550 -5.7120 3.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6510 -6.0780 4.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8260 -7.4230 4.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3110 -8.4210 4.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6230 -8.0740 2.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4480 -6.7290 2.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4920 -3.9730 1.8660 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1610 1.8470 0.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7220 1.7110 -1.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5930 1.4910 0.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7170 0.8560 4.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0460 0.8500 4.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1750 1.5770 7.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5120 0.3960 6.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1560 -1.8750 7.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4700 -2.5050 7.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5760 -2.9570 5.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1480 -2.4870 5.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7290 -0.2060 9.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6890 0.8930 9.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9490 -0.8420 9.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2330 -4.0810 3.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2450 -4.4440 2.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0780 -5.3220 5.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3740 -7.6970 5.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4530 -9.4680 4.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2290 -8.8500 2.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9220 -6.4910 1.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9820 -4.3490 1.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3610 -0.4120 7.4980 N 0 3 0 0 0 0 0 0 0 0 0 0 1.3500 -0.3220 7.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 9 1 0 0 0 0 3 4 2 0 0 0 0 3 19 1 0 0 0 0 4 5 1 0 0 0 0 4 11 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 9 1 0 0 0 0 9 10 2 0 0 0 0 11 12 1 0 0 0 0 11 21 1 0 0 0 0 12 13 2 0 0 0 0 12 19 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 15 53 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 16 53 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 18 53 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 30 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 47 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 28 2 0 0 0 0 27 49 1 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 30 52 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 13 1 M CHG 1 53 1 M END