IBS-ZINC05345123 MOE2007 3D Structure written by MMmdl. 41 43 0 0 0 0 0 0 0 0999 V2000 -3.0720 7.7300 0.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2610 6.2370 0.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5670 5.7240 0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7940 4.3500 0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7110 3.4760 0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9320 2.0300 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0540 1.5450 -0.0540 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7400 1.1770 0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5360 1.7490 0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3200 3.1160 0.1930 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4060 3.9610 0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1630 5.3470 0.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7520 5.8730 0.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3350 0.8500 0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4600 -0.3660 0.1050 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8470 1.5650 0.2470 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1640 1.0550 0.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4760 -0.3090 0.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8070 -0.7360 0.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8270 0.2090 0.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5400 1.5720 0.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2080 1.9900 0.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5510 -0.3330 0.4330 S 0 0 0 0 0 0 0 0 0 0 0 0 6.5060 -1.6010 -0.2890 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2360 0.7460 -0.2730 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9240 -0.4630 1.9740 N 0 5 0 0 0 0 0 0 0 0 0 0 6.3540 -1.2020 2.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3330 8.0460 -0.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0040 8.2590 -0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7460 8.0410 1.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4210 6.3980 0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8120 3.9740 -0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8990 0.1060 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4100 6.1650 -0.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6890 6.7370 0.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0570 5.1290 0.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7590 2.5750 0.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7040 -1.0690 0.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0400 -1.7970 0.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3420 2.3020 0.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0010 3.0560 0.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 12 2 0 0 0 0 3 4 2 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 11 2 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 23 24 2 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 26 27 1 0 0 0 0 M CHG 1 26 -1 M END