PUBCHEM-ZINC05260434 MOE2007 3D CORINA 3.40 0006 02.08.2006 69 71 0 0 1 0 0 0 0 0999 V2000 -0.3540 2.1330 -1.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4740 0.6440 -0.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5050 -0.0100 -0.5650 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6690 0.0390 -1.0080 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7860 -1.4090 -0.8160 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1060 -1.7280 -0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2250 -1.7590 -0.4270 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.4670 -1.2950 0.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3540 -3.2810 -0.3050 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.3880 -3.5420 -0.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9360 -3.9280 -1.6280 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6090 -3.6020 -2.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5990 -3.5370 -1.9470 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4270 -2.1280 -2.1190 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0790 -1.7790 -2.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0660 -1.8510 -2.4580 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3070 -2.2860 -3.7670 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2800 -3.1620 -4.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7970 -2.6430 -3.7820 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9780 -3.4810 -3.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2050 -3.0320 -5.2060 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6500 -3.9170 -5.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9130 -1.9520 -6.0960 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5280 -1.6060 -6.1580 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0490 -2.4730 -6.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -1.1600 -4.7730 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0160 -0.9400 -4.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7690 0.0090 -4.3760 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3320 -0.4640 -7.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6680 -0.9180 -8.4700 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6060 -3.3120 -5.2400 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1140 -3.7760 -6.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4660 -4.0680 -6.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9800 -4.5400 -7.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1490 -4.7200 -8.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8010 -4.4290 -8.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2810 -3.9630 -7.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7020 -5.2250 -10.0740 N 0 3 0 0 0 0 0 0 0 0 0 0 6.8900 -5.4810 -10.1640 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9700 -5.3840 -11.0340 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5820 -1.4860 -3.3450 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9590 -1.3750 -2.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6490 -2.2340 -1.2580 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7670 -0.1850 -1.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0040 -5.4510 -1.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7270 -6.0520 -2.7620 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5060 -3.7490 0.7460 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1220 -1.2810 -1.4320 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6800 2.4390 -0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6540 2.3900 -2.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0000 2.6470 -0.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4510 0.5610 -1.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6520 0.7640 -4.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7080 -0.1400 -7.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9780 0.3710 -6.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5670 -0.2440 -9.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1170 -3.9270 -5.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0330 -4.7680 -7.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1530 -4.5700 -9.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2270 -3.7400 -7.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8300 -0.7990 -3.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0940 0.6110 -1.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4080 -0.4740 -0.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3830 0.1690 -2.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2670 -5.7850 -0.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0010 -5.7420 -1.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7540 -7.0190 -2.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5370 -4.7060 0.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0530 -1.4680 -1.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 49 1 0 0 0 0 1 50 1 0 0 0 0 1 51 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 52 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 14 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 48 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 47 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 45 1 0 0 0 0 13 14 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 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 26 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 41 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 31 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 29 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 28 53 1 0 0 0 0 29 30 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 30 56 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 32 37 2 0 0 0 0 33 34 2 0 0 0 0 33 57 1 0 0 0 0 34 35 1 0 0 0 0 34 58 1 0 0 0 0 35 36 2 0 0 0 0 35 38 1 0 0 0 0 36 37 1 0 0 0 0 36 59 1 0 0 0 0 37 60 1 0 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 41 42 1 0 0 0 0 41 61 1 0 0 0 0 42 43 2 0 0 0 0 42 44 1 0 0 0 0 44 62 1 0 0 0 0 44 63 1 0 0 0 0 44 64 1 0 0 0 0 45 46 1 0 0 0 0 45 65 1 0 0 0 0 45 66 1 0 0 0 0 46 67 1 0 0 0 0 47 68 1 0 0 0 0 48 69 1 0 0 0 0 M CHG 1 38 1 M CHG 1 40 -1 M END