PUBCHEM-ZINC05721341 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 0 0 0 0 0 0 0 0999 V2000 4.5450 -0.5670 -2.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3520 -1.2220 -1.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0570 -1.2020 -0.4840 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5720 -0.7780 0.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9130 -1.8470 -0.2220 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5980 -2.3230 -1.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4210 -1.9030 -2.4480 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1750 -3.2990 -1.7220 S 0 0 0 0 0 0 0 0 0 0 0 0 0.6400 -4.6760 -0.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -4.9040 0.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2680 -6.0050 1.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -6.0910 2.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4540 -7.3780 3.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8810 -8.0440 1.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7630 -7.2210 0.8710 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4120 -9.3780 1.6900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9190 -10.1560 2.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 -11.4370 2.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4260 -11.9630 1.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9230 -11.2060 0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4200 -9.9180 0.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8780 -11.7340 -1.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1480 -11.2860 -2.0900 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7610 -12.7570 -1.3610 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8080 -13.3060 -2.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7900 -5.5720 -1.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9140 -5.3880 -0.7110 O 0 5 0 0 0 0 0 0 0 0 0 0 5.4590 -0.9920 -1.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5780 -0.7050 -3.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5320 0.5080 -2.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7620 -4.2060 0.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3470 -5.2990 3.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4240 -7.7670 4.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9360 -9.7690 3.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8170 -12.0240 3.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8160 -12.9650 1.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0320 -9.3310 -0.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8360 -13.7300 -2.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1150 -12.5440 -3.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5500 -14.1090 -2.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4720 -6.3540 -2.2070 O 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 7 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 10 31 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 32 1 0 0 0 0 13 14 2 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 19 20 2 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 37 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 26 27 1 0 0 0 0 26 41 2 0 0 0 0 M CHG 1 27 -1 M END