PUBCHEM-ZINC02464573 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 42 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 -1.3390 -0.4990 0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4970 -1.8380 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5220 -2.5660 -0.0070 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8410 -2.4160 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5660 -2.7390 1.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7650 -3.2520 0.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0730 -3.3680 -0.7280 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.5530 -2.7040 -1.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0990 -2.4900 -2.4090 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0570 -2.8820 -3.7010 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.3310 -2.5140 -4.8660 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5300 -4.2010 -3.4640 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4690 -1.8290 -3.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4490 -0.6080 -4.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5560 0.2180 -4.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6850 -0.1780 -3.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7060 -1.3990 -2.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5990 -2.2270 -2.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8700 0.7070 -3.4990 N 0 3 0 0 0 0 0 0 0 0 0 0 -8.8520 1.7830 -4.0690 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8640 0.3590 -2.8880 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.7340 -3.6780 2.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0130 -2.5140 2.6110 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 0.5120 -0.3560 -0.8950 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 -2.2190 -2.1090 -2.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5670 -0.3000 -4.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5400 1.1720 -4.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5870 -1.7080 -2.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6170 -3.1830 -2.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3730 -2.8370 2.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3490 -4.4980 1.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1810 -4.0080 2.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2860 -1.5160 2.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4270 -3.2580 3.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9270 -2.6070 2.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 2 30 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 25 1 0 0 0 0 8 9 1 0 0 0 0 8 24 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 31 1 0 0 0 0 12 13 2 0 0 0 0 12 14 2 0 0 0 0 12 15 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 32 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END