CHEMDIV-ZINC04556226 MOE2007 3D Structure written by MMmdl. 42 44 0 0 0 0 0 0 0 0999 V2000 -3.1500 -0.6100 1.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4180 0.5080 2.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8410 1.0290 3.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6890 1.3840 4.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5150 0.7540 5.9000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4360 1.2290 6.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3540 2.3840 5.4700 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7880 2.2730 4.2580 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 0.7700 7.6900 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9890 1.2590 8.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7160 0.3330 9.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7470 0.7470 10.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0700 2.0970 10.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3600 3.0300 9.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3310 2.6130 8.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9140 0.8900 0.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2980 2.1540 -0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0740 3.0780 -0.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5110 4.2700 -1.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8300 4.5520 -0.9750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6100 3.6440 -0.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0510 2.4500 0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4660 -1.2650 1.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4830 1.9060 3.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6700 -1.2170 2.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4530 0.2660 4.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4700 -0.0640 8.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4920 -0.7290 9.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2980 0.0140 10.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8700 2.4220 10.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6020 4.0870 9.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7770 3.3770 8.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7120 0.5370 -0.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1640 0.0970 0.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1240 2.8820 -0.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1170 4.9800 -1.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2680 5.4810 -1.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6550 3.8660 -0.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6810 1.7570 0.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8930 -0.1970 1.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4720 1.1220 1.8260 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.9870 1.8780 2.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 25 1 0 0 0 0 1 40 1 0 0 0 0 2 3 1 0 0 0 0 2 41 2 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 3 26 1 0 0 0 0 4 5 1 0 0 0 0 4 8 2 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 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 13 14 2 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 21 2 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 41 42 1 0 0 0 0 M CHG 1 41 1 M END