IFLAB-ZINC02685786 MOE2007 3D Structure written by MMmdl. 37 40 0 0 0 0 0 0 0 0999 V2000 5.9180 13.8460 -0.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4430 12.5630 0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1630 12.0150 1.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7580 10.8410 1.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6000 10.2540 1.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8750 10.7940 0.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2600 11.9570 -0.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8490 8.9710 1.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9170 9.1180 1.8510 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1690 8.5100 2.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6950 7.6610 1.2090 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5130 6.4460 0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7750 5.1630 0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0440 3.9690 0.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0360 3.0790 0.5050 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8800 1.7720 0.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2010 1.1170 0.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1640 1.7530 -0.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9780 3.0300 -0.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1830 3.7020 -0.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5160 14.7020 0.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0120 13.8990 -0.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5970 13.9130 -1.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0640 12.5200 1.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3070 10.4180 2.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6800 12.3650 -1.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5390 6.2820 0.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5490 6.8190 -0.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8340 3.6450 1.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6150 1.3330 1.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3860 0.0850 0.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0160 1.1720 -0.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6640 3.5440 -1.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7960 9.9520 0.1940 N 0 3 0 0 0 0 0 0 0 0 0 0 2.0620 10.0780 -0.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5910 4.9430 -0.5350 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1070 5.6190 -1.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 24 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 34 2 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 13 14 2 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 20 1 0 0 0 0 16 17 2 0 0 0 0 16 30 1 0 0 0 0 17 18 1 0 0 0 0 17 31 1 0 0 0 0 18 19 2 0 0 0 0 18 32 1 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 20 36 2 0 0 0 0 34 35 1 0 0 0 0 36 37 1 0 0 0 0 M CHG 1 34 1 M CHG 1 36 1 M END