IBS-ZINC04008850 MOE2007 3D Structure written by MMmdl. 22 23 0 0 0 0 0 0 0 0999 V2000 0.4110 6.9270 4.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6810 6.3280 4.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8850 5.2190 3.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7580 4.7560 2.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5040 5.3500 2.9230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7200 6.4480 3.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3640 4.6250 2.1230 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3570 4.7930 2.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6880 3.6570 1.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3990 2.5290 0.4460 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 1.6570 -0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6950 0.9790 0.7810 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3560 1.7640 -1.3720 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3080 7.7860 5.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5260 6.7400 4.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8540 4.7510 3.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6980 6.8990 3.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2060 0.9570 1.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1810 1.2780 -1.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1870 2.2980 -2.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5840 3.7080 1.8930 N 0 3 0 0 0 0 0 0 0 0 0 0 1.3080 3.0580 1.5850 H 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 14 1 0 0 0 0 2 3 2 0 0 0 0 2 15 1 0 0 0 0 3 4 1 0 0 0 0 3 16 1 0 0 0 0 4 5 2 0 0 0 0 4 21 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 17 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 21 2 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 12 18 1 0 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 21 22 1 0 0 0 0 M CHG 1 21 1 M END