CHEMDIV-ZINC06811400 MOE2007 3D Structure written by MMmdl. 44 46 0 0 0 0 0 0 0 0999 V2000 1.1990 6.4210 9.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1890 6.0470 8.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1630 7.0330 7.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1540 6.6790 5.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1280 7.7030 4.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1120 8.8930 4.9230 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 7.2190 3.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1400 5.8840 3.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1640 4.9840 4.0420 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 5.3250 5.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1970 4.3460 6.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2050 4.7090 7.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2330 3.6420 8.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1350 5.3970 1.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1140 6.1920 0.7290 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1530 4.0740 1.3940 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1470 3.5930 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0170 1.3770 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2130 -0.6800 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 0.0330 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3790 1.4140 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2340 -2.0390 -0.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5180 -2.6680 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1740 6.4960 9.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7300 5.6570 10.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6990 7.3810 9.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 8.0730 7.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1120 7.9160 2.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2090 3.3020 6.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2120 3.3690 8.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7570 2.7650 8.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7510 4.0210 9.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 3.4390 2.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0260 3.9730 -0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2470 3.9450 -0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9040 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3480 -0.4910 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 1.9700 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0610 -2.3620 -0.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 -2.3710 0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3920 -3.7500 -0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 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 29 1 0 0 0 0 4 5 1 0 0 0 0 4 10 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 13 34 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 35 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 M END