KEYORGANICS-ZINC04089543 MOE2007 3D Structure written by MMmdl. 53 56 0 0 0 0 0 0 0 0999 V2000 -5.2990 2.0090 -4.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8190 1.8810 -1.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7860 2.2090 -0.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9220 1.8490 -2.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9720 1.5230 -3.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4280 1.9140 0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1350 1.2000 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1180 1.6910 -0.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9820 0.6720 -0.5830 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3370 -0.4580 -0.3590 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 -0.1760 0.0740 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7650 -1.2420 0.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8730 -1.0450 1.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6850 -2.1290 1.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3970 -3.4260 1.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2690 -3.6260 0.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4560 -2.5480 0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2910 -4.5740 1.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3990 -4.7090 2.9770 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.5610 -4.4070 1.1630 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.8730 -5.7790 1.1570 F 0 0 0 0 0 0 0 0 0 0 0 0 1.4760 3.0690 -0.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0720 3.4240 -1.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4180 4.7530 -2.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1760 5.7330 -1.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6010 5.3850 0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2570 4.0570 0.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1860 2.6000 -4.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8660 2.3450 -5.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5320 0.9420 -4.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0550 0.8110 -1.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7350 2.4600 -1.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1330 1.8500 0.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6010 3.2880 -0.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6630 2.9140 -2.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0260 1.2460 -2.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1920 0.4500 -3.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6250 1.8540 -4.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9060 1.7660 1.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2930 2.9960 -0.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1100 -0.0940 1.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5370 -1.9600 2.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0090 -4.6260 0.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4120 -2.7540 -0.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2810 2.6690 -2.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8880 5.0220 -3.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4550 6.7650 -1.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4380 6.1490 0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8420 3.8080 1.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2770 2.2460 -3.1950 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.0990 3.2630 -3.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4420 1.5350 -1.0030 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.5830 0.5160 -0.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 50 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 2 50 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 52 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 4 52 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 5 50 1 0 0 0 0 6 7 1 0 0 0 0 6 39 1 0 0 0 0 6 40 1 0 0 0 0 6 52 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 22 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 24 46 1 0 0 0 0 25 26 2 0 0 0 0 25 47 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 49 1 0 0 0 0 50 51 1 0 0 0 0 52 53 1 0 0 0 0 M CHG 1 50 1 M CHG 1 52 1 M END