PUBCHEM-ZINC03626226 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 59 0 0 1 0 0 0 0 0999 V2000 1.1970 1.3500 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 1.5570 2.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4790 0.1350 2.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7580 -0.4010 2.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0290 -1.7290 2.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0310 -2.5340 3.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7600 -2.0100 3.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4840 -0.6820 3.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3530 3.0510 1.0780 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4910 3.7430 1.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3630 3.3690 2.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2030 2.3590 2.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1400 2.6890 3.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2950 3.9720 4.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5200 5.0070 3.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5550 4.6900 2.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7210 5.7910 2.2430 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.2860 6.7280 1.6690 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4920 5.6920 2.4650 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.2740 4.0690 5.0660 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7180 2.6970 5.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0030 1.8170 4.2500 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9650 3.2660 -0.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3160 3.8410 -1.2030 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2020 2.6980 -0.5630 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8380 2.7680 -1.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3380 2.5030 -1.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4690 0.9800 -1.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1730 0.4280 -2.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3630 1.6420 -2.7890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6790 0.3820 0.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9380 2.1430 -0.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5420 1.2710 -0.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6080 2.0240 3.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0810 2.1500 2.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5560 0.2060 2.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0210 -2.1400 2.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -3.5680 3.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0120 -2.6390 4.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5130 -0.2960 3.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1590 1.3260 2.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6570 6.0150 4.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5810 2.3420 6.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7850 2.6580 4.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7130 2.2170 0.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6310 3.7520 -2.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8080 2.9700 -0.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8370 2.8890 -2.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5910 0.6230 -0.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3460 0.6510 -2.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6260 -0.1350 -1.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3630 -0.2550 -3.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6100 1.8830 -3.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2860 1.4560 -2.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3470 1.6660 1.2000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.3720 0.9360 1.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 55 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 2 55 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 6 7 2 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 7 39 1 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 23 1 0 0 0 0 9 55 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 13 22 1 0 0 0 0 14 15 2 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 30 1 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 29 30 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 55 56 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M CHG 1 55 1 M END