PUBCHEM-ZINC03870763 MOE2007 3D CORINA 3.40 0006 02.08.2006 68 70 0 0 1 0 0 0 0 0999 V2000 -1.7260 2.3050 -1.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9390 1.1660 -0.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1570 1.7570 0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8770 0.2380 0.0760 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4300 0.8210 0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8690 -0.4830 -0.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4930 -1.0520 -1.8750 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2970 -0.5890 -0.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3500 -1.5600 0.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7350 -2.6260 0.8450 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1210 -1.1310 1.9020 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1010 -1.8120 3.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5360 -3.2820 3.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3180 -5.5260 4.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9490 -6.2730 5.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7050 -5.7900 6.5870 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4420 -4.4080 6.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7980 -3.5370 5.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7670 0.6470 0.0260 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.1490 -1.0050 -1.3240 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.1550 -0.8550 0.7290 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3040 -1.1500 2.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9590 -0.4550 2.8490 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6690 -2.4790 2.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3940 -2.5700 3.9280 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3140 -3.2430 4.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4350 -3.6330 4.3900 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8610 -3.5020 6.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2750 -2.9100 6.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0720 -2.1320 5.7430 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7480 -1.9990 4.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6460 -1.2140 3.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6610 -1.6440 2.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3760 -0.5540 2.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8880 0.6640 2.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5740 0.4920 3.7730 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.6120 -4.3350 6.9280 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0570 2.9670 -1.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4710 1.9220 -2.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2480 2.9100 -0.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4460 0.5930 -1.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2690 2.2890 1.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8180 0.9710 0.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7790 2.4620 -0.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6780 -0.2850 1.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0820 -1.7300 3.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7550 -1.2430 3.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6260 -3.3680 3.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0950 -3.8210 2.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7000 -5.8510 3.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3800 -5.6590 3.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1790 -7.3370 5.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8790 -6.1920 5.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0500 -4.1070 7.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3960 -4.2810 7.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8730 -3.5860 5.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4940 -2.5010 5.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5550 -1.4300 0.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3620 -3.2760 2.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2560 -2.6340 1.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6490 -3.0630 7.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9010 -2.6870 2.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2170 -0.6580 1.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2420 1.6480 2.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4140 -4.7870 6.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3600 -4.5140 7.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0960 -4.0310 4.3820 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.0540 -3.8790 4.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 41 1 0 0 0 0 3 42 1 0 0 0 0 3 43 1 0 0 0 0 3 44 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 21 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 45 1 0 0 0 0 12 13 1 0 0 0 0 12 46 1 0 0 0 0 12 47 1 0 0 0 0 13 48 1 0 0 0 0 13 49 1 0 0 0 0 13 67 1 0 0 0 0 14 15 1 0 0 0 0 14 50 1 0 0 0 0 14 51 1 0 0 0 0 14 67 1 0 0 0 0 15 16 1 0 0 0 0 15 52 1 0 0 0 0 15 53 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 54 1 0 0 0 0 17 55 1 0 0 0 0 18 56 1 0 0 0 0 18 57 1 0 0 0 0 18 67 1 0 0 0 0 21 22 1 0 0 0 0 21 58 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 24 59 1 0 0 0 0 24 60 1 0 0 0 0 25 26 1 0 0 0 0 25 31 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 2 0 0 0 0 28 37 1 0 0 0 0 29 30 1 0 0 0 0 29 61 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 32 36 1 0 0 0 0 33 34 1 0 0 0 0 33 62 1 0 0 0 0 34 35 2 0 0 0 0 34 63 1 0 0 0 0 35 36 1 0 0 0 0 35 64 1 0 0 0 0 37 65 1 0 0 0 0 37 66 1 0 0 0 0 67 68 1 0 0 0 0 M CHG 1 67 1 M END