PUBCHEM-ZINC06486919 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 52 0 0 1 0 0 0 0 0999 V2000 -0.5410 0.9800 -0.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1720 -0.3610 -0.2270 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4890 -1.1640 -0.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4390 -0.3080 -1.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5290 -0.4330 -0.4870 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5610 -0.6670 1.1540 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2880 -1.0450 2.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5020 -1.1840 2.0330 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4540 -1.3760 3.4650 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2960 -0.6790 3.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9680 -2.8220 3.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9400 -3.1580 4.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5430 -3.9570 5.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4410 -4.2470 6.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7400 -3.7410 6.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1440 -2.9480 5.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2490 -2.6580 4.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4460 -1.1800 4.5980 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1980 -1.8480 4.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3480 -0.0950 5.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4550 0.8210 5.2820 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3180 -0.1430 6.6240 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2620 -1.1440 7.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9540 0.9230 7.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6610 0.7470 8.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2470 -0.2460 9.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9040 -0.4140 11.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9800 0.4070 11.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3990 1.3990 10.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7430 1.5690 9.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0220 0.0870 5.9830 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1070 1.7970 0.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8480 1.2020 -1.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4400 0.9940 0.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5720 -0.5900 1.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1240 -3.5240 3.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4720 -2.9980 2.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5330 -4.3560 5.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1280 -4.8680 7.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4360 -3.9640 7.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1550 -2.5510 5.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5800 -2.0370 3.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1260 0.8870 7.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1310 1.9340 7.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4080 -0.8930 9.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5760 -1.1860 11.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4920 0.2750 12.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2380 2.0390 10.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0830 2.3430 8.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2350 -0.1640 -2.3680 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.7720 1.2000 5.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 4 5 2 0 0 0 0 4 50 1 0 0 0 0 6 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 18 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 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 15 16 2 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 31 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 45 1 0 0 0 0 27 28 1 0 0 0 0 27 46 1 0 0 0 0 28 29 2 0 0 0 0 28 47 1 0 0 0 0 29 30 1 0 0 0 0 29 48 1 0 0 0 0 30 49 1 0 0 0 0 31 51 1 0 0 0 0 M CHG 1 50 -1 M END