PUBCHEM-ZINC04687599 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 53 0 0 1 0 0 0 0 0999 V2000 -0.0460 1.4480 -0.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 -0.0630 -0.2530 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2790 -0.5750 -1.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9550 -0.3930 0.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8550 -1.8210 1.2060 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4800 -2.1580 1.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5220 -1.9000 0.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3690 -0.5180 0.1420 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6710 0.5020 0.0560 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.6940 -0.0850 0.8490 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1700 1.8130 0.2790 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2510 0.4670 -1.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2160 -0.4680 -1.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6850 -0.5210 -3.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1910 0.3780 -4.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6510 0.3530 -5.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1500 1.2400 -6.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1850 2.1740 -6.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7160 2.2280 -4.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2100 1.3280 -3.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7540 1.3570 -2.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8480 -2.1950 2.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9270 -3.5090 2.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9090 -3.8760 3.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8130 -2.9360 3.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7370 -1.6260 3.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7610 -1.2540 2.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8640 -3.3320 4.8810 N 0 3 0 0 0 0 0 0 0 0 0 0 4.9320 -4.4840 5.2680 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6600 -2.5050 5.2870 O 0 5 0 0 0 0 0 0 0 0 0 0 0.9190 1.7650 -0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8300 1.6920 -1.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2410 1.9630 0.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9710 -0.1640 0.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7110 0.2020 1.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5060 -3.2090 2.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7050 -1.5380 2.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3610 -2.5910 -0.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5230 -2.0380 1.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5970 -1.1600 -1.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4320 -1.2510 -3.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3980 -0.3660 -5.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5050 1.2180 -7.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8040 2.8670 -6.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9670 2.9570 -4.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0100 2.0790 -2.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2210 -4.2440 2.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9710 -4.8970 3.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4440 -0.8940 3.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7050 -0.2320 2.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 38 1 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 21 2 0 0 0 0 13 14 2 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 18 19 2 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 27 50 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 M CHG 1 28 1 M CHG 1 30 -1 M END