PUBCHEM-ZINC06417115 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 50 0 0 1 0 0 0 0 0999 V2000 -5.4430 0.1210 -2.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1390 0.9090 -3.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4520 1.3870 -4.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2200 2.1180 -3.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7960 1.7810 -2.6790 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.7970 1.1140 -1.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1780 3.1540 -2.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4210 3.6630 -3.1550 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9890 1.1750 -3.7490 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8630 -0.1600 -4.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4020 -1.0130 -3.2950 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0610 -0.4960 -5.0810 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4330 0.4120 -6.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0970 0.2530 -6.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4730 -1.1660 -6.1840 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7870 -2.1120 -5.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7340 -1.9030 -5.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4660 -1.5660 -7.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4200 -2.8080 -7.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4270 -3.2210 -8.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5130 -2.3790 -8.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5930 -1.1360 -8.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5740 -0.7450 -7.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5740 -2.8010 -9.7570 N 0 3 0 0 0 0 0 0 0 0 0 0 5.4730 -3.9190 -10.2840 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5140 -2.0180 -9.9530 O 0 5 0 0 0 0 0 0 0 0 0 0 -6.1340 -0.7020 -2.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5380 -0.3180 -1.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9020 0.7610 -1.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6610 0.2370 -4.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9890 2.0690 -3.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2640 1.9130 -4.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1110 0.5400 -4.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1500 2.7110 -4.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7120 2.7670 -2.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4800 1.8850 -4.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8240 0.1370 -7.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6990 1.4570 -5.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4980 0.8710 -6.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5060 0.6310 -5.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0110 -3.1600 -5.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 -1.9290 -4.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2130 -2.5590 -4.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1300 -2.1660 -6.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5710 -3.4720 -7.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3350 -4.1910 -9.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4290 -0.4610 -8.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6770 0.2160 -6.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4910 3.5810 -1.1240 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 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 49 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 23 48 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 M CHG 1 24 1 M CHG 1 26 -1 M CHG 1 49 -1 M END