COMGENEX-ZINC06868979 MOE2007 3D Structure written by MMmdl. 51 53 0 0 1 0 0 0 0 0999 V2000 6.9190 12.1610 -1.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9660 11.7910 -0.2160 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4490 10.5240 -0.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7850 9.5720 -1.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2650 8.2650 -1.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3650 7.8970 -0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0480 8.8480 0.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5570 10.1550 0.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1230 10.9380 1.8080 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9420 12.3230 1.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7360 6.5100 -0.1240 C 0 0 3 0 0 0 0 0 0 0 0 0 4.0380 6.0500 0.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6220 5.8500 -1.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6650 7.2730 -2.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0950 4.0760 -0.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1430 3.1350 -1.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0590 2.1710 -2.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1740 6.5990 -0.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6220 7.3800 -1.2820 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7920 7.0580 -2.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5020 6.0950 -2.9210 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1390 7.9200 -3.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1730 7.7910 -4.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4270 8.8070 -5.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1540 9.6830 -4.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2030 9.2780 -3.1150 S 0 0 0 0 0 0 0 0 0 0 0 0 7.8130 11.5300 -1.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4780 12.1370 -2.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2270 13.1910 -1.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4690 9.8200 -2.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3790 8.5930 1.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8760 12.8700 1.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5360 12.5000 0.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2150 12.7090 2.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3080 5.7050 -0.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8720 5.1450 -2.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6860 7.4800 -2.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9980 7.3810 -3.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8810 3.8740 -0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1280 3.9580 -0.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3630 3.2440 -2.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8560 2.0020 -1.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0250 1.5170 -2.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7950 7.0640 0.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7230 5.6030 -0.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0670 8.2030 -1.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7100 6.9980 -5.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3220 8.8900 -6.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7730 10.5410 -4.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2300 5.5300 -1.2080 N 0 3 0 0 0 0 0 0 0 0 0 0 3.5850 5.6670 -2.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 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 30 1 0 0 0 0 5 6 1 0 0 0 0 5 14 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 18 1 0 0 0 0 11 50 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 13 50 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 15 50 1 0 0 0 0 16 17 2 0 0 0 0 16 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 24 25 2 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 50 51 1 0 0 0 0 M CHG 1 50 1 M END