PUBCHEM-ZINC05273562 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 54 0 0 1 0 0 0 0 0999 V2000 0.5450 1.3960 -0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3890 -0.0620 0.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0600 -0.2670 1.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0920 -0.5140 0.3140 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5410 -0.2590 -0.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2100 -2.0390 0.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5590 -2.5060 1.5840 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8610 -2.7460 -0.6400 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -4.1480 -0.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1280 -5.0570 0.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0720 -6.4350 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7080 -6.9040 -1.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3990 -6.0100 -2.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4580 -4.6360 -2.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6500 -8.3440 -1.5300 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.9160 -9.1040 -0.5880 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3390 -8.7180 -2.6690 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.9010 0.0990 1.3670 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6320 1.2480 1.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6820 1.8820 0.1330 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4150 1.7280 2.4100 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.7440 1.7820 3.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6150 0.8060 2.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4560 1.2420 3.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7470 1.7510 3.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5140 2.1830 4.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0010 2.1090 6.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7250 1.5950 6.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9550 1.1610 5.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6050 1.6550 -0.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0690 1.5660 -1.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1050 2.0880 0.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9420 -0.6720 -0.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5910 0.3420 2.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0150 -1.3150 2.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1180 0.0140 1.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6050 -2.2080 -1.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4120 -4.7300 1.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3130 -7.1170 0.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1130 -6.3560 -3.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2140 -3.9550 -2.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9050 -0.4020 2.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2360 0.7430 1.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2730 -0.2200 2.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1740 1.8080 2.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5160 2.5710 4.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6020 2.4420 6.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3340 1.5280 7.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9660 0.7500 5.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8910 3.1380 2.1690 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.3810 3.1890 1.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0930 3.7820 2.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5150 3.4840 2.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 18 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 37 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 18 19 1 0 0 0 0 18 42 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 23 1 0 0 0 0 21 50 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 27 28 2 0 0 0 0 27 47 1 0 0 0 0 28 29 1 0 0 0 0 28 48 1 0 0 0 0 29 49 1 0 0 0 0 50 51 1 0 0 0 0 50 52 1 0 0 0 0 50 53 1 0 0 0 0 M CHG 1 15 1 M CHG 1 17 -1 M CHG 1 50 1 M END