PUBCHEM-ZINC05487018 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 61 0 0 1 0 0 0 0 0999 V2000 0.6180 1.2320 2.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3200 0.1460 1.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 0.0420 0.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7200 1.0660 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0360 2.1680 0.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4730 2.2490 2.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9230 3.0030 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1160 2.3850 -1.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3890 1.2250 -1.2270 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3450 0.5760 -2.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5250 4.2990 0.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8080 4.0960 1.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3900 5.3540 1.6910 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9360 6.0240 2.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9990 5.6340 3.5020 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7170 7.2980 3.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3610 7.9360 4.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2270 9.1700 4.7200 C 0 0 3 0 0 0 0 0 0 0 0 0 7.2800 8.8630 4.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9580 9.8830 6.0520 C 0 0 3 0 0 0 0 0 0 0 0 0 6.9030 10.2830 6.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0110 11.0490 5.7070 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3020 11.9150 6.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4730 11.3490 4.2560 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3130 12.0550 4.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0390 10.1460 3.6790 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5110 11.9000 3.3250 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5610 11.1910 2.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8640 11.9540 1.8160 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3680 13.2210 2.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3890 13.2140 2.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1020 14.2740 3.3750 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6930 15.4030 2.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7230 15.5570 1.8320 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0350 14.4570 1.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0450 14.5880 0.4880 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7620 10.5960 5.8090 O 0 5 0 0 0 0 0 0 0 0 0 0 5.3800 9.0490 7.0490 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4270 9.3060 6.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1820 1.2930 3.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3470 -0.6330 2.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6310 -0.8060 -0.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6980 3.0930 2.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7070 2.6730 -2.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7390 4.9250 -0.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7900 4.8580 1.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6150 3.4790 2.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5660 3.5830 0.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1550 5.7480 1.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7870 7.0570 3.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5100 7.9950 2.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3000 8.2070 4.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4900 7.1950 5.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4320 10.1250 2.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2140 16.3110 3.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5330 13.7660 0.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8570 15.5030 0.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 40 1 0 0 0 0 2 3 2 0 0 0 0 2 41 1 0 0 0 0 3 4 1 0 0 0 0 3 42 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 43 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 44 1 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 11 45 1 0 0 0 0 11 46 1 0 0 0 0 12 13 1 0 0 0 0 12 47 1 0 0 0 0 12 48 1 0 0 0 0 13 14 1 0 0 0 0 13 49 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 50 1 0 0 0 0 16 51 1 0 0 0 0 17 18 1 0 0 0 0 17 52 1 0 0 0 0 17 53 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 26 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 38 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 37 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 27 28 1 0 0 0 0 27 31 1 0 0 0 0 28 29 2 0 0 0 0 28 54 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 35 2 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 33 55 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 56 1 0 0 0 0 36 57 1 0 0 0 0 38 39 1 0 0 0 0 M CHG 1 37 -1 M END