NCID-ZINC04772420 MOE2007 3D Structure written by MMmdl. 42 45 0 0 0 0 0 0 0 0999 V2000 -0.3720 0.2750 -1.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3570 1.0780 -0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6970 0.7830 0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3240 -0.3290 -0.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5700 -1.1200 -1.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2330 -0.8210 -1.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7870 -0.6900 -0.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7330 -0.0490 -1.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8580 1.3460 -1.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7670 1.9060 -2.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5570 1.0840 -3.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4330 -0.3000 -2.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5260 -0.8640 -2.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3570 -0.4000 1.5280 S 0 0 0 0 0 0 0 0 0 0 0 0 5.8950 -1.2620 1.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0240 -2.6250 1.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2780 -3.2720 1.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2960 -1.3160 1.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0930 -0.6310 1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4200 0.6610 0.8310 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7470 1.4190 0.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7310 0.7630 0.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4080 -4.6050 2.1090 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 0.5070 -1.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1190 1.9370 0.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2350 1.4410 0.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0190 -1.9780 -1.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3350 -1.4420 -2.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8490 -1.7810 -0.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2450 2.0130 -0.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8450 2.9870 -2.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2490 1.5230 -3.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0310 -0.9410 -3.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4370 -1.9480 -2.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1360 -3.1960 2.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2530 1.6540 0.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2790 -5.1190 2.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5860 -5.1450 2.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2810 -0.4420 0.8130 N 0 3 0 0 0 0 0 0 0 0 0 0 10.2750 -0.6310 0.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3780 -2.5720 1.4750 N 0 3 0 0 0 0 0 0 0 0 0 0 9.2680 -3.0590 1.4630 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 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 11 12 2 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 17 23 1 0 0 0 0 17 41 2 0 0 0 0 18 19 2 0 0 0 0 18 39 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 36 1 0 0 0 0 22 39 2 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 39 40 1 0 0 0 0 41 42 1 0 0 0 0 M CHG 1 39 1 M CHG 1 41 1 M END