PUBCHEM-ZINC05360781 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 48 0 0 0 0 0 0 0 0999 V2000 0.7610 -0.5420 2.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0910 -0.0060 1.1210 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2750 -0.6390 0.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1490 -0.1700 -0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3510 -0.8100 -0.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6890 -1.9300 0.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8090 -2.3980 1.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6060 -1.7570 1.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9810 -2.6200 0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0190 -4.0030 0.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2520 -4.6410 0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3740 -6.0380 0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5980 -6.6050 -0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7330 -5.8070 -0.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6440 -4.4460 -0.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4000 -3.8320 -0.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2570 -2.4360 -0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0820 -1.8940 0.0570 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.9730 -0.4330 0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9530 0.0810 -1.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0230 -0.6930 -2.2720 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.9380 -6.4000 -0.6050 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.0570 -5.5360 -0.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7170 -7.9580 -0.1910 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5260 -8.7170 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6700 0.0550 2.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2430 -0.5180 3.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0190 -1.5720 1.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8870 0.6980 -0.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0310 -0.4440 -1.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0670 -3.2650 2.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9220 -2.1220 2.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1210 -4.5800 0.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5070 -6.6610 0.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5250 -3.8430 -0.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1190 -1.8050 -0.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8270 -0.0100 0.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0520 -0.1420 0.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9540 -6.1360 -0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1940 -4.9000 0.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8770 -4.9150 -1.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7620 -9.7810 -0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7970 -8.4820 -0.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1130 -8.4670 1.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8580 1.4000 -1.5800 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8490 1.6820 -2.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 18 2 0 0 0 0 10 11 2 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 12 13 2 0 0 0 0 12 34 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 22 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 21 2 0 0 0 0 20 45 1 0 0 0 0 22 23 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 45 46 1 0 0 0 0 M CHG 1 18 1 M END