PUBCHEM-ZINC02979918 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 0 0 0 0 0 0999 V2000 0.4250 0.7650 -1.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1160 -0.6340 -1.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4410 -1.0480 0.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1870 -2.3580 0.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3960 -3.2560 -0.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6970 -2.8680 -1.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4430 -1.5570 -2.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6820 -4.9360 0.1480 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7290 -5.7540 -1.0490 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2520 -5.2300 1.2170 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2560 -4.8870 0.8490 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0850 -4.2270 0.1600 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8090 -4.9700 -0.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8260 -4.4040 -1.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0550 -3.0260 -1.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0420 -2.5160 -2.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7860 -3.3820 -3.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5450 -4.7610 -3.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5720 -5.2770 -2.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3110 -5.6150 -3.9240 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5540 -6.1450 -5.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7940 -2.9580 -4.0540 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5100 -1.7840 -4.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1360 -1.9570 -6.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2710 -1.2350 -6.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8360 -1.4350 -7.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2780 -2.3610 -8.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1440 -3.1030 -8.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5830 -2.8820 -7.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5420 -4.1240 -9.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5510 -4.7930 -8.8480 O 0 5 0 0 0 0 0 0 0 0 0 0 1.4370 0.8100 -2.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2850 1.0970 -2.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3520 1.4680 -0.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 -0.3510 0.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4520 -2.6620 1.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1310 -3.5710 -2.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6820 -1.2600 -3.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2420 -4.5240 1.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6830 -6.0700 -0.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4820 -2.3410 -0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2300 -1.4470 -2.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4180 -6.3520 -2.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2580 -6.5490 -5.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9500 -5.3760 -5.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9130 -6.9630 -4.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9320 -0.9150 -4.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4330 -1.6150 -4.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7270 -0.5190 -5.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7190 -0.8740 -8.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7320 -2.5130 -9.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7030 -3.4530 -6.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0700 -4.2400 -10.4350 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 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 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 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 37 1 0 0 0 0 7 38 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 40 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 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 21 44 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 23 24 1 0 0 0 0 23 47 1 0 0 0 0 23 48 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 49 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 27 28 2 0 0 0 0 27 51 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 29 52 1 0 0 0 0 30 31 1 0 0 0 0 30 53 2 0 0 0 0 M CHG 1 31 -1 M END