OTAVA-ZINC04147399 MOE2007 3D Structure written by MMmdl. 41 44 0 0 0 0 0 0 0 0999 V2000 2.3700 3.6820 5.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8870 4.9350 5.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4530 6.0700 5.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4970 5.9500 4.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9800 4.6980 3.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4180 3.5600 4.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 4.5640 2.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4250 3.4540 2.5470 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5160 5.7730 2.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5180 5.6610 1.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0050 6.8040 0.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4810 8.0530 0.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4730 8.1740 1.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 7.0260 2.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0510 7.1510 3.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5620 8.2400 3.7860 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0880 9.5180 0.1340 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9270 10.2490 -0.3400 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1370 9.1260 -0.7850 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7530 10.3960 1.4180 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7260 9.8340 2.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8100 9.0760 1.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7590 8.5980 2.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6550 8.8850 4.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5700 9.6630 4.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6200 10.1390 3.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6960 8.3870 5.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5840 8.7670 6.3480 O 0 5 0 0 0 0 0 0 0 0 0 0 2.7110 2.7980 6.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6310 5.0270 6.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8610 7.0440 5.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0220 2.5770 4.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9300 4.6880 0.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7880 6.7050 -0.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0610 9.1500 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1280 11.1080 1.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9590 8.8610 0.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6000 8.0080 2.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4670 9.9070 5.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8010 10.7460 4.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6130 7.6310 4.6840 O 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 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 4 5 2 0 0 0 0 4 15 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 17 18 2 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 37 1 0 0 0 0 23 24 1 0 0 0 0 23 38 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 39 1 0 0 0 0 26 40 1 0 0 0 0 27 28 1 0 0 0 0 27 41 2 0 0 0 0 M CHG 1 28 -1 M END