PUBCHEM-ZINC06193381 MOE2007 3D CORINA 3.40 0006 02.08.2006 68 71 0 0 1 0 0 0 0 0999 V2000 -3.8680 0.8270 -0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0490 -0.2080 0.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9540 -0.2870 -0.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4950 -0.7790 -2.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8820 -2.4050 0.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0670 -3.3730 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7140 -4.7560 0.4220 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6660 -5.0290 1.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0280 -4.9760 2.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8530 -6.0310 2.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1470 -5.9480 3.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0190 -7.0390 3.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2410 -6.9220 3.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6070 -5.7120 4.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7350 -4.6250 4.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5100 -4.7490 3.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6290 -3.6620 3.8320 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8780 -2.7920 4.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4140 -3.6980 3.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6850 -2.7090 3.1410 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8080 -5.5240 5.1910 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.7440 -6.5560 4.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0820 -7.9210 4.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0400 -8.0360 3.9730 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4150 -5.7590 -0.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4510 -7.4140 -0.2200 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.0590 -5.2580 -1.7740 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7440 -5.9920 -3.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8020 -5.1480 -3.8740 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1600 -5.0300 -3.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6140 -5.7140 -5.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6660 -4.9850 -6.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6640 -3.6200 -5.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3830 -3.8300 -4.0290 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5060 1.3760 0.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2400 1.5580 -0.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5180 0.3520 -0.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3690 0.2450 1.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7280 -0.8880 1.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1940 -0.4350 -0.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1910 0.7780 -0.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3750 -0.2020 -2.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2030 -1.8320 -2.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2830 -0.6550 -2.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5790 -2.2620 1.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0210 -2.7980 -0.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9220 -3.0470 0.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4400 -3.3610 -0.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1990 -5.9970 2.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9820 -4.3000 2.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5830 -6.9830 2.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7570 -7.9830 2.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0240 -3.6950 5.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5730 -6.4920 5.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1390 -6.3620 3.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6540 -8.0990 5.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8140 -8.7090 4.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9960 -4.2640 -1.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2880 -6.9600 -2.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7030 -6.1580 -3.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3790 -5.4390 -5.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7010 -6.8030 -5.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4550 -4.9480 -7.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6410 -5.4670 -5.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8700 -2.9860 -5.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6190 -3.0990 -5.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2130 -1.0290 -0.3950 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.7800 -1.1660 -1.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 38 1 0 0 0 0 2 39 1 0 0 0 0 2 67 1 0 0 0 0 3 4 1 0 0 0 0 3 40 1 0 0 0 0 3 41 1 0 0 0 0 3 67 1 0 0 0 0 4 42 1 0 0 0 0 4 43 1 0 0 0 0 4 44 1 0 0 0 0 5 6 1 0 0 0 0 5 45 1 0 0 0 0 5 46 1 0 0 0 0 5 67 1 0 0 0 0 6 7 1 0 0 0 0 6 47 1 0 0 0 0 6 48 1 0 0 0 0 7 8 1 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 49 1 0 0 0 0 8 50 1 0 0 0 0 9 10 2 0 0 0 0 9 19 1 0 0 0 0 10 11 1 0 0 0 0 10 51 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 52 1 0 0 0 0 13 14 1 0 0 0 0 13 24 1 0 0 0 0 14 15 2 0 0 0 0 14 21 1 0 0 0 0 15 16 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 19 1 0 0 0 0 19 20 2 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 23 24 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 58 1 0 0 0 0 28 29 1 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 34 1 0 0 0 0 31 32 1 0 0 0 0 31 61 1 0 0 0 0 31 62 1 0 0 0 0 32 33 1 0 0 0 0 32 63 1 0 0 0 0 32 64 1 0 0 0 0 33 34 1 0 0 0 0 33 65 1 0 0 0 0 33 66 1 0 0 0 0 67 68 1 0 0 0 0 M CHG 1 67 1 M END