IBS-ZINC02223003 MOE2007 3D Structure written by MMmdl. 44 46 0 0 0 0 0 0 0 0999 V2000 -2.3850 4.0670 -4.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0100 3.4250 -3.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9280 4.2320 -2.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8380 3.9900 -0.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2700 3.1300 0.5160 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3690 2.7650 1.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8700 2.4540 3.1420 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9950 2.7920 1.1640 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4340 3.6610 0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0130 2.0120 1.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2950 2.5400 2.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2920 1.7640 2.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0270 0.4490 3.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7660 -0.0930 2.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7670 0.6810 2.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6490 2.7180 0.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6560 3.5960 0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9890 3.1790 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3330 1.8790 0.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3450 0.9930 0.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0110 1.4080 0.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7700 5.0810 -4.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5200 4.1220 -5.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1620 3.4790 -4.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6580 2.4030 -3.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9120 3.3500 -2.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2680 5.2390 -2.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0490 4.3170 -2.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7630 5.0270 -0.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5150 3.9200 -1.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4510 4.7020 0.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4200 3.3680 -0.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5360 3.5710 1.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2750 2.1910 2.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8020 -0.1530 3.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5580 -1.1230 3.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8060 0.2110 1.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4380 4.6280 -0.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7620 3.8730 -0.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3700 1.5560 0.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6080 -0.0260 1.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2640 0.6770 1.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4900 3.5370 -1.0330 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.3870 2.5330 -1.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 3 43 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 4 43 1 0 0 0 0 5 6 1 0 0 0 0 5 16 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 9 43 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 33 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 13 14 2 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 20 2 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 21 42 1 0 0 0 0 43 44 1 0 0 0 0 M CHG 1 43 1 M END