KEYORGANICS-ZINC04050323 MOE2007 3D Structure written by MMmdl. 40 43 0 0 0 0 0 0 0 0999 V2000 -1.1190 1.4680 0.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1480 0.9440 0.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2420 1.7980 0.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 3.1880 0.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2040 3.7050 0.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2950 2.8470 0.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2470 4.1110 0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0010 4.9610 -1.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5060 4.8300 -2.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4690 5.2300 -3.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1130 5.1970 -3.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 5.5520 -4.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6700 5.9050 -5.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7880 6.2650 -6.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2810 6.6110 -8.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6530 6.6010 -8.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5260 6.2430 -7.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0600 5.8940 -6.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9370 5.5600 -5.2030 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6290 4.8550 -2.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9700 0.8020 0.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2840 -0.1320 0.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2210 1.3620 -0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3690 4.7780 0.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2840 3.2550 0.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0350 5.1240 0.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1050 3.7280 0.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8280 6.0050 -1.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7120 4.5050 -0.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4030 5.4480 -3.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7930 3.7900 -3.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1390 5.5550 -4.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2880 6.2760 -6.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5980 6.8890 -9.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0470 6.8700 -9.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5970 6.2390 -7.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8080 4.1330 -2.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2840 5.7670 -1.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6850 4.2290 -1.4020 N 0 3 0 0 0 0 0 0 0 0 0 0 2.8240 3.2680 -1.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 21 1 0 0 0 0 2 3 2 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 23 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 24 1 0 0 0 0 6 25 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 19 2 0 0 0 0 11 12 2 0 0 0 0 11 20 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 16 17 2 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 39 40 1 0 0 0 0 M CHG 1 39 1 M END