PUBCHEM-ZINC05736148 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 0 0 0 0 0 0999 V2000 0.9110 1.0570 -0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7140 -0.4600 -0.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7810 -0.7790 -0.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9780 -2.2960 -0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4730 -2.6150 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6620 -4.0680 -0.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6080 -4.8970 1.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8370 -6.1800 0.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0310 -6.1620 -0.6570 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2140 -6.9360 -1.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9290 -4.8640 -1.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0610 -4.4610 -2.3330 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.5280 -5.2620 -3.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6510 -5.5140 -4.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2580 -4.1750 -4.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8560 -3.4720 -3.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7510 -3.2000 -2.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8380 -7.1970 1.6300 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6150 -6.9300 2.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6190 -7.8400 3.7360 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3870 -5.6740 3.3550 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3780 -4.6450 2.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1710 -3.5090 2.8730 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1490 -5.4200 4.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0820 -8.5760 1.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9760 1.2840 -0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4080 1.4780 -1.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4900 1.4900 0.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1350 -0.8920 -1.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2170 -0.8810 0.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2020 -0.3460 0.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2840 -0.3580 -0.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5570 -2.7290 -1.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4750 -2.7170 0.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8940 -2.1820 0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9760 -2.1940 -0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7150 -4.7200 -3.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1590 -6.2140 -3.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2470 -6.0240 -5.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4220 -6.1330 -3.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4820 -3.5470 -5.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0420 -4.3500 -5.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3090 -2.5300 -3.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6150 -4.1110 -3.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1890 -2.7920 -1.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0410 -2.4870 -3.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1940 -6.3610 5.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1640 -4.9720 4.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9110 -4.7400 5.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1340 -9.0510 0.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5620 -9.1280 2.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7320 -8.5740 0.3260 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 2 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 2 0 0 0 0 7 22 1 0 0 0 0 8 9 1 0 0 0 0 8 18 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 19 1 0 0 0 0 18 25 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 24 1 0 0 0 0 22 23 2 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 M CHG 1 12 1 M END