COMGENEX-ZINC06869048 MOE2007 3D Structure written by MMmdl. 45 47 0 0 1 0 0 0 0 0999 V2000 2.0630 7.8050 2.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8510 6.4570 1.7070 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5280 5.7070 2.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0890 6.5260 0.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0440 7.0960 -0.3090 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1060 5.8630 -0.5160 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 5.2670 0.2240 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9180 5.6660 -0.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1410 5.8910 1.9170 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0190 3.7520 0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1550 2.9810 0.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1020 1.5830 0.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1240 0.9250 0.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2970 1.6790 0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2550 3.0820 0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5900 0.9980 0.0300 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.6390 -0.1940 0.3630 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5550 1.6580 -0.3830 O 0 5 0 0 0 0 0 0 0 0 0 0 1.1590 5.8020 -1.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6110 7.0830 -2.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1670 5.9870 -4.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0840 6.6020 -6.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5030 8.0150 -5.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4400 8.4140 -4.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8530 7.7600 3.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1020 8.1300 2.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4330 8.5830 1.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1290 3.4610 0.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0230 1.0070 0.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1440 -0.1620 0.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1780 3.6590 0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2060 5.6690 -2.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6060 4.9200 -2.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4660 7.1880 -2.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1180 7.9660 -2.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8370 5.1230 -4.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7700 5.7420 -4.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8510 6.0640 -6.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8370 6.6110 -6.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5390 8.0230 -5.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4420 8.6960 -6.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 9.0720 -4.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3610 8.8690 -5.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8450 7.1020 -4.1090 N 0 3 0 0 0 0 0 0 0 0 0 0 1.8610 7.0120 -4.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 19 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 13 14 2 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 31 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 19 20 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 44 45 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M CHG 1 44 1 M END