PUBCHEM-ZINC05765504 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 42 0 0 1 0 0 0 0 0999 V2000 1.3330 1.6090 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5040 0.3020 0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1640 -0.5530 1.2400 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9040 0.0590 1.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9390 -1.6860 0.5490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9750 -1.3310 -0.9270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6540 -0.5890 -1.1890 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4860 -1.6140 -1.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6700 0.1140 -2.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5530 -0.2900 -3.3880 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2020 -1.0930 2.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3190 -2.2030 2.2410 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0150 -0.2020 3.3310 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8800 -0.4870 4.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4910 0.8010 5.0340 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0820 1.2930 4.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3830 0.4720 6.2180 C 0 5 0 0 0 0 0 0 0 0 0 0 -1.7960 0.1740 7.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0430 1.2930 6.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4240 1.6640 5.4410 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8880 2.9330 5.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9470 0.7280 0.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3810 1.4090 -0.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9300 2.2730 -0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3210 2.1710 0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9540 -1.7750 0.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4650 -2.6650 0.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8400 -0.6880 -1.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0940 -2.2290 -1.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4400 -1.1290 -1.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2710 -2.3060 -2.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6410 -2.2220 -0.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4440 0.7010 3.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6640 -1.1910 4.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2510 -0.9770 5.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0190 3.5840 6.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5460 3.3890 5.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4000 2.8540 6.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3760 1.2880 -0.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6040 -0.1250 0.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9970 1.3840 1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2120 1.0000 -2.7620 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 11 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 10 2 0 0 0 0 9 42 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 20 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 20 21 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 M CHG 1 17 -1 M CHG 1 42 -1 M END