PUBCHEM-ZINC04536183 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 51 0 0 1 0 0 0 0 0999 V2000 -0.4240 1.7040 -2.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2230 0.3100 -1.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8540 -0.2350 -1.9650 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2400 -0.3320 -1.2400 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0440 -1.6880 -0.7200 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3660 -2.2340 -1.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4540 -1.6140 0.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1640 -0.5430 1.1410 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3910 -2.4110 -0.6620 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.1020 -1.8110 -0.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9190 -2.6200 -2.0820 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2510 -3.2890 -2.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3180 -3.2360 -2.0210 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.9830 -2.5740 -1.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8550 -3.4260 -3.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2010 -3.9020 -3.3820 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2520 -4.5030 -1.3630 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9830 -1.3610 -2.7560 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2230 -3.6800 -0.0250 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5330 -3.6750 1.3700 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0040 -2.8580 1.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1150 -5.0120 1.9970 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0510 -5.1790 1.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3990 -4.9460 3.5010 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6690 -4.2930 3.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7830 -4.4020 3.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4470 -3.7450 2.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9430 -3.5140 1.5500 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7950 -3.2410 3.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2360 -3.3480 4.2280 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3050 -6.2580 4.0620 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8670 -6.0760 1.4100 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0880 -7.3740 1.2570 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.9060 -8.2440 0.4870 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7690 -7.0080 0.8770 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5020 2.0560 -2.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2160 1.6950 -3.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7050 2.3700 -1.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1020 0.1030 -1.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2900 -2.5190 1.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8290 -2.4730 -3.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2360 -4.1520 -3.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6060 -4.0460 -4.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6760 -5.1450 -1.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1180 -0.9780 -2.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2520 -4.5530 4.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4730 -6.2920 5.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5400 -2.6620 2.1380 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9790 -8.0000 2.6400 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4970 -8.8380 2.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4180 -2.3470 2.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 40 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 19 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 18 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 17 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 43 1 0 0 0 0 17 44 1 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 28 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 32 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 31 1 0 0 0 0 26 27 2 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 29 48 1 0 0 0 0 31 47 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 33 35 2 0 0 0 0 33 49 1 0 0 0 0 48 51 1 0 0 0 0 49 50 1 0 0 0 0 M END