IFLAB-ZINC00950150 MOE2007 3D Structure written by MMmdl. 46 49 0 0 0 0 0 0 0 0999 V2000 3.5330 12.6660 1.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9990 11.4730 0.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4860 11.7130 -0.5590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0110 10.6620 -1.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0570 9.4600 -0.5700 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6510 8.2010 -0.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8890 7.3040 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5260 9.3200 0.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0230 10.3210 1.4160 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6690 5.8440 0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1060 5.4850 0.2320 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0460 3.7060 0.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1380 3.1150 0.5020 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1450 1.7690 0.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 1.0180 0.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1790 1.7100 0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2060 3.0620 0.0670 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4760 1.0380 -0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8100 -0.1650 0.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0430 -0.7890 0.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9720 -0.2220 -0.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6710 0.9710 -1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4380 1.5930 -0.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4590 1.0930 0.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4670 10.7790 -2.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5820 12.4890 1.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4650 13.5820 0.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9570 12.7960 2.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5110 12.7170 -0.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2370 8.0840 -1.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1830 5.4710 1.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1050 5.3690 -0.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -0.0650 0.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1210 -0.6300 1.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2790 -1.7160 0.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9310 -0.7050 -0.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3950 1.4200 -1.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2280 2.5260 -1.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7240 0.4560 -0.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2570 1.8300 0.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4050 0.4810 1.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0450 10.1540 -3.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4210 10.4580 -2.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5100 11.8090 -3.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4420 8.0630 1.0570 N 0 3 0 0 0 0 0 0 0 0 0 0 2.7430 7.7490 1.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 9 2 0 0 0 0 3 4 2 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 6 7 2 0 0 0 0 6 30 1 0 0 0 0 7 10 1 0 0 0 0 7 45 1 0 0 0 0 8 9 1 0 0 0 0 8 45 2 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 10 32 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 14 15 1 0 0 0 0 14 24 1 0 0 0 0 15 16 2 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 34 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 21 22 2 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 45 46 1 0 0 0 0 M CHG 1 45 1 M END