PUBCHEM-ZINC02679921 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 52 0 0 1 0 0 0 0 0999 V2000 -0.5990 -1.5010 -2.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8310 -0.7710 -1.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2830 0.6680 -1.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0010 -1.5000 -0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4080 -0.8750 -0.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7020 -0.0170 -0.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5040 1.4440 -0.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7860 -0.6540 0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4690 0.5700 -2.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7620 0.0650 -3.8990 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0940 0.5450 -4.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2240 0.2700 -4.3000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3530 -0.1850 -5.6520 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5700 -0.0190 -6.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6060 -0.3820 -7.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7830 -0.2620 -8.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9380 0.2240 -7.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9170 0.5850 -6.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7310 0.4610 -5.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1790 0.3580 -8.5030 N 0 3 0 0 0 0 0 0 0 0 0 0 10.1550 0.0340 -9.6990 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1790 0.7910 -7.9120 O 0 5 0 0 0 0 0 0 0 0 0 0 3.4270 -1.3390 -3.9040 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7890 -1.6970 -4.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0970 -0.9750 -3.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2100 -2.5130 -2.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5360 -1.5980 -3.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2440 0.6840 -2.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 1.2290 -0.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5730 1.2040 -2.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7450 -2.5430 -0.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2550 -1.0140 0.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9060 -1.5020 -1.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0510 -0.6950 0.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7100 -1.9330 -0.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0150 1.5060 0.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4630 1.9680 -0.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9040 2.0140 -0.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0720 -1.6470 -0.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6920 -0.0420 0.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4210 -0.7690 1.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 0.2120 -1.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3750 1.6580 -2.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4800 1.3330 -4.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8740 -0.3320 -3.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7060 -0.7580 -8.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7760 -0.5490 -9.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8080 0.9620 -5.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7530 0.7450 -4.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1590 -0.0540 -2.0800 N 0 3 0 0 0 0 0 0 0 0 0 0 2.2500 -1.0350 -2.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4320 0.3560 -2.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 50 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 7 38 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 8 41 1 0 0 0 0 9 10 1 0 0 0 0 9 42 1 0 0 0 0 9 43 1 0 0 0 0 9 50 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 23 1 0 0 0 0 12 13 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 14 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 46 1 0 0 0 0 16 17 1 0 0 0 0 16 47 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 48 1 0 0 0 0 19 49 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 23 24 1 0 0 0 0 50 51 1 0 0 0 0 50 52 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M CHG 1 50 1 M END