PUBCHEM-ZINC02046991 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 40 0 0 0 0 0 0 0 0999 V2000 0.2010 1.5330 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 2.0280 -1.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9280 2.1140 -1.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6030 2.5730 -2.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8600 2.9280 -3.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4830 2.8150 -3.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1270 2.3810 -2.3130 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.5450 3.4310 -4.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5650 3.7260 -5.6840 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9410 4.2870 -7.1450 P 0 0 0 0 0 0 0 0 0 0 0 0 -2.7580 5.5130 -7.0080 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1060 2.6810 -2.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9600 4.1900 -1.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5920 4.1910 -3.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4800 5.4960 -2.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7550 3.5780 -0.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9600 3.5300 -0.8930 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6150 1.7540 -0.0860 O 0 5 0 0 0 0 0 0 0 0 0 0 0.3130 0.4500 -0.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1860 1.9990 0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 1.7920 0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1020 3.0900 -4.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2250 2.6660 -5.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1080 4.3340 -4.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4760 2.5300 -3.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5290 1.9220 -1.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9270 4.0610 -4.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5830 3.7490 -3.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3970 5.9130 -2.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7420 6.2260 -2.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0940 2.3160 -2.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5910 4.6290 -7.9530 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7790 3.1710 -7.9480 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5040 4.0140 -1.8640 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1740 4.1790 -0.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1240 3.0850 0.2530 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6760 2.7020 0.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3040 2.3380 -8.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7430 4.9720 -8.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 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 18 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 8 1 0 0 0 0 6 7 1 0 0 0 0 6 22 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 17 2 0 0 0 0 16 36 1 0 0 0 0 32 39 1 0 0 0 0 33 38 1 0 0 0 0 34 35 1 0 0 0 0 36 37 1 0 0 0 0 M CHG 1 7 1 M CHG 1 18 -1 M END