IBS-ZINC05345756 MOE2007 3D Structure written by MMmdl. 47 49 0 0 0 0 0 0 0 0999 V2000 -4.6530 6.0230 -7.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1640 4.6510 -7.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3100 4.0380 -6.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6030 4.2670 -5.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8040 3.7140 -4.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7040 2.9310 -4.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4040 2.7040 -5.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1980 3.2540 -6.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2390 1.8800 -6.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9170 1.6420 -7.2860 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4680 1.3470 -5.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8560 1.6340 -3.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9560 2.4140 -3.4320 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0480 1.0750 -2.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9400 0.3720 -2.8140 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.4290 -1.3890 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1160 0.9850 -0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5890 1.5310 1.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0520 1.0840 2.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3630 -0.1010 3.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2050 -0.5010 4.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1950 0.2890 4.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6400 1.4560 4.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0680 1.8500 2.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9260 -0.2130 6.3800 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7770 -1.6660 6.3590 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3020 0.2600 6.2600 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0690 0.5190 7.5050 N 0 5 0 0 0 0 0 0 0 0 0 0 0.1460 0.1370 7.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2920 6.4440 -8.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6520 6.7180 -7.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6310 5.9660 -8.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1890 3.9860 -8.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2010 4.7310 -7.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4570 4.8820 -4.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0430 3.8980 -3.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9520 3.0740 -7.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3950 0.7350 -5.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3550 2.0140 -1.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1160 -0.1120 -0.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1620 1.3110 -0.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6080 2.6280 1.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6440 1.2250 1.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1430 -0.7160 2.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1300 -1.4140 4.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4180 2.0600 4.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4130 2.7680 2.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 6 7 2 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 37 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 14 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 39 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 25 27 2 0 0 0 0 25 28 1 0 0 0 0 28 29 1 0 0 0 0 M CHG 1 28 -1 M END