PUBCHEM-ZINC03132120 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 44 0 0 0 0 0 0 0 0999 V2000 0.0040 1.5330 0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1220 0.1350 0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0270 -0.6500 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2770 0.0040 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4450 1.3750 0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2770 2.1350 0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3990 3.9380 0.0870 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6400 4.1780 -0.6450 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1820 4.3470 -0.6090 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5740 -1.1790 -0.0020 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2580 -1.1610 1.2720 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2340 -1.1160 -1.2870 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4840 -2.5640 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1380 -2.1150 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1100 -3.0630 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4510 -4.4180 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8240 -4.7790 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8770 -3.8870 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9780 -6.5340 -0.0810 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5100 -6.9140 -1.3710 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5260 -6.9580 1.1880 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2440 -6.8150 -0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4440 -5.5830 -0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8350 -5.6120 -0.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4950 -6.8500 -0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7590 -8.0510 -0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3660 -8.0540 -0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6470 -9.6260 -0.0870 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7100 -10.5220 0.5850 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8550 -9.3140 0.6720 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8880 2.1580 0.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1130 -0.3060 0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4270 1.8360 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9300 -2.7530 0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9140 -4.1960 -0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4230 -4.7000 -0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5840 -6.8860 -0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2040 -8.9770 -0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4400 4.2250 1.5170 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.8350 -9.8580 -1.5150 O 0 5 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 31 1 0 0 0 0 2 3 2 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 3 14 1 0 0 0 0 4 5 2 0 0 0 0 4 10 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 2 0 0 0 0 7 39 1 0 0 0 0 10 11 2 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 16 17 2 0 0 0 0 16 23 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 35 1 0 0 0 0 19 20 2 0 0 0 0 19 21 2 0 0 0 0 19 22 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 24 25 1 0 0 0 0 24 36 1 0 0 0 0 25 26 2 0 0 0 0 25 37 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 27 38 1 0 0 0 0 28 29 2 0 0 0 0 28 30 2 0 0 0 0 28 40 1 0 0 0 0 M CHG 1 39 -1 M CHG 1 40 -1 M END