PUBCHEM-ZINC06439342 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6820 -0.4720 -1.1930 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7870 -1.8070 -1.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3220 -2.5590 -0.5180 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4600 -2.3510 -2.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7720 -2.6590 -3.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5970 -3.1450 -4.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2400 -3.2410 -4.1040 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8020 -2.6160 -2.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6830 -2.4060 -1.5350 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9900 -2.6990 -1.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3960 -3.1490 -2.7400 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9210 -2.4770 -0.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2290 -2.7710 -0.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1650 -2.5480 0.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5220 -2.8510 0.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3930 -2.6390 1.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9270 -2.1270 2.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5860 -1.8240 2.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7030 -2.0260 1.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8690 -1.9020 3.6020 N 0 3 0 0 0 0 0 0 0 0 0 0 12.0500 -2.1680 3.4670 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4630 -1.4510 4.6580 O 0 5 0 0 0 0 0 0 0 0 0 0 1.1450 -3.5520 -6.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9650 -2.5070 -5.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7160 -2.4620 -4.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8260 -3.9860 -7.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3600 -2.0470 -0.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5610 -2.0780 0.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5890 -3.1700 -1.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8860 -3.2510 -0.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4410 -2.8730 1.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2300 -1.4250 3.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6580 -1.7850 1.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4300 -2.7820 -6.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6100 -4.4980 -6.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0380 -2.5500 -5.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5490 -1.6130 -5.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2770 -3.2580 -3.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0290 -1.4950 -3.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3300 -4.8730 -7.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6230 -3.1360 -8.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9010 -4.1600 -7.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3180 -3.7000 -6.0910 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 10 2 0 0 0 0 7 8 2 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 26 50 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M END