PUBCHEM-ZINC05125500 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 44 0 0 1 0 0 0 0 0999 V2000 0.4730 1.4650 0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2370 -0.0220 0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3190 -0.7830 1.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1020 -2.1530 1.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1970 -2.7550 -0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2760 -1.9890 -1.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0650 -0.6230 -1.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1590 0.2100 -2.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4280 -4.2150 -0.1400 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.0260 -4.8520 -1.0970 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0220 -4.7800 0.7610 O 0 5 0 0 0 0 0 0 0 0 0 0 0.1830 -2.9250 2.3050 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3570 -2.2750 3.6060 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0300 -1.2570 3.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4050 -3.0620 4.6760 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3100 -2.5560 5.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1840 -4.4720 4.7780 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0450 -4.9950 3.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6800 -4.3660 5.0900 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1190 -5.3640 5.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3620 -3.5290 4.0040 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2590 -4.0300 3.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7460 -2.2410 3.9400 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8460 -3.3690 4.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5060 -2.6890 3.2700 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8610 -3.7390 6.3610 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4740 -5.1900 5.8240 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7850 -3.1450 4.3150 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5320 1.6720 -0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1120 1.9580 -0.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1690 1.8400 1.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5510 -0.3120 2.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5080 -2.4560 -2.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8200 0.2600 -2.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 -0.2430 -3.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4890 1.2170 -2.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 -3.8920 2.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9510 -2.7910 5.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2960 -4.3530 4.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4520 -2.5520 3.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4500 -4.2150 7.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4270 -5.2880 5.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2220 -2.2860 4.2280 H 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 23 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 28 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 27 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 26 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 24 25 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 25 40 1 0 0 0 0 26 41 1 0 0 0 0 27 42 1 0 0 0 0 28 43 1 0 0 0 0 M CHG 1 9 1 M CHG 1 11 -1 M END