IBS-ZINC02452013 MOE2007 3D Structure written by MMmdl. 45 45 0 0 1 0 0 0 0 0999 V2000 4.9130 -3.2580 3.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3960 -3.1950 3.7700 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1400 -2.6150 4.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7610 -2.5500 2.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2350 -2.5650 2.5970 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8910 -1.9380 3.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6850 -3.9900 2.7890 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3970 -3.9170 2.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3060 -4.6020 4.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3850 -5.2910 5.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8720 -4.9130 1.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6920 -0.4350 1.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0130 0.0800 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2170 2.3190 -0.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9970 2.0300 -1.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3110 -2.2740 3.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4120 -3.5520 4.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2010 -3.9660 2.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1090 -3.0610 1.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1210 -1.5170 2.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9890 -5.6430 4.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0260 -4.0330 4.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2210 -4.6510 6.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8690 -6.2490 5.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4460 -5.4800 5.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9200 -5.0110 1.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4950 -5.9170 1.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3120 -4.5460 0.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7450 -0.1460 1.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1750 -0.0590 2.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0080 -0.3150 -0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5660 -0.2350 -0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7560 1.9730 -1.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0150 3.3930 -0.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7750 2.1010 0.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9730 1.5550 -1.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1040 3.1170 -1.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.7180 -2.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8190 -4.5910 3.9710 N 0 3 0 0 0 0 0 0 0 0 0 0 3.1090 -5.1860 3.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6460 -1.9480 1.3400 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.3410 -2.2470 1.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1090 -2.3570 0.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1060 1.5940 -0.0680 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.5880 1.9300 0.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 39 1 0 0 0 0 4 5 1 0 0 0 0 4 19 1 0 0 0 0 4 20 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 41 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 9 39 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 10 39 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 12 41 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 13 44 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 14 44 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 15 44 1 0 0 0 0 39 40 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 0 0 0 0 44 45 1 0 0 0 0 M CHG 1 39 1 M CHG 1 41 1 M CHG 1 44 1 M END