KEYORGANICS-ZINC01395419 MOE2007 3D Structure written by MMmdl. 54 58 0 0 0 0 0 0 0 0999 V2000 3.3840 8.4390 11.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8950 8.8050 9.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2640 7.8550 9.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 6.5100 9.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6110 6.1560 10.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2430 7.1240 11.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4890 4.8380 11.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8730 3.8580 10.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3690 4.1830 9.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4710 5.4960 8.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9240 5.7580 7.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2900 5.1210 6.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4900 5.6840 5.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2920 6.5880 5.8470 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0510 6.6540 7.1630 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0110 7.1940 5.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3800 5.4560 3.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7080 5.7580 3.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6250 5.4780 1.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1470 3.7560 1.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0780 4.0240 3.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2550 3.6690 -0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1920 2.1820 -0.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 1.5950 -0.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0300 0.2130 -1.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0520 -0.5810 -0.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2050 -0.0190 -0.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2780 1.3620 -0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9820 -1.9080 -0.9550 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8750 9.1750 11.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 9.8290 9.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8920 8.1820 8.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6350 6.8590 12.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8760 4.5610 12.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7840 2.8430 10.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8810 3.4080 8.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0420 4.3570 6.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3780 6.1420 3.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5170 5.1560 3.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9860 6.8080 3.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6080 5.6060 1.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8960 6.1240 1.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8900 4.3890 1.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3860 2.7030 1.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6060 3.2990 3.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0650 3.8440 3.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2030 4.0510 -0.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4400 4.2020 -0.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8170 2.2030 -1.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9200 -0.2490 -1.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0390 -0.6600 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1910 1.7870 0.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1990 4.0460 1.2860 N 0 3 0 0 0 0 0 0 0 0 0 0 1.8880 3.4460 1.7580 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 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 10 2 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 8 9 2 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 15 2 0 0 0 0 12 13 2 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 19 53 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 20 53 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 22 53 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 28 52 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 53 1 M END