PUBCHEM-ZINC05421770 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 1 0 0 0 0 0999 V2000 0.2370 1.2740 0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 -0.1960 0.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3450 -0.6870 0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4980 -2.1650 0.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8680 -2.6310 0.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9900 -3.0090 0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3280 -3.4450 -0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4950 -4.7820 -0.2780 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7510 -5.2450 -0.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8040 -4.3150 -0.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4750 -2.9750 -0.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2520 -2.4670 -0.2240 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.6600 -2.3020 -0.5800 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.6430 -3.2420 -0.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1610 -4.4680 -0.7730 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.8370 -0.8560 -0.5480 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.9460 -0.4400 -0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1120 -0.2430 -1.9500 C 0 0 3 0 0 0 0 0 0 0 0 0 -9.1090 -1.0460 -2.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5700 0.2490 -1.8150 C 0 0 3 0 0 0 0 0 0 0 0 0 -11.2630 -0.4970 -2.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7570 0.4420 -0.3190 C 0 0 3 0 0 0 0 0 0 0 0 0 -10.4020 1.4290 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9580 -0.5640 0.3190 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.2080 0.3010 0.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3780 0.4190 1.4940 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.5800 0.4990 2.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3140 0.4060 1.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1720 0.1400 -0.6060 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.7310 1.4740 -2.5350 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.7690 1.7010 -2.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3390 0.8240 -2.1500 O 0 5 0 0 0 0 0 0 0 0 0 0 -6.9440 -6.6040 -0.6190 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2630 1.6030 0.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 1.4470 -0.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4360 1.8960 0.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7900 -0.7870 -0.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3390 -0.3400 1.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0520 -0.0870 0.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6020 -0.5320 -0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7950 -2.7650 -0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2480 -2.3190 1.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6830 -2.9720 -0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1430 -7.2130 -0.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8800 -6.9520 -0.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 37 1 0 0 0 0 2 38 1 0 0 0 0 3 4 1 0 0 0 0 3 39 1 0 0 0 0 3 40 1 0 0 0 0 4 5 1 0 0 0 0 4 41 1 0 0 0 0 4 42 1 0 0 0 0 5 6 3 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 2 0 0 0 0 14 43 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 24 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 32 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 30 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 25 26 1 0 0 0 0 25 29 2 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 30 31 1 0 0 0 0 33 44 1 0 0 0 0 33 45 1 0 0 0 0 M CHG 1 32 -1 M END