COMGENEX-ZINC06869045 MOE2007 3D Structure written by MMmdl. 45 47 0 0 1 0 0 0 0 0999 V2000 1.4500 2.7770 -0.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3210 1.5320 0.1300 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5630 1.7560 1.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0830 0.9550 0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1060 1.6280 0.1650 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0820 -0.4260 -0.0690 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2030 -1.0930 -0.1970 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1540 -1.7010 -1.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4220 0.2170 -0.4610 S 0 0 0 0 0 0 0 0 0 0 0 0 1.5760 -1.9650 0.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2810 -1.5970 2.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6670 -2.4040 3.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3600 -3.5920 3.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6650 -3.9640 1.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2810 -3.1620 0.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3910 -5.2110 1.6050 N 0 3 0 0 0 0 0 0 0 0 0 0 4.0290 -5.7050 2.5450 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 -5.6990 0.4680 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.3350 -1.1730 -0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9670 -1.1030 -1.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3960 -1.0540 -0.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6720 -1.3680 -1.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2360 -1.2720 -2.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8760 -1.9450 -2.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7930 3.5700 -0.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4740 3.1660 -0.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1570 2.5860 -1.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7520 -0.6710 2.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4310 -2.0990 4.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6520 -4.2060 4.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5390 -3.4570 -0.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1550 -2.2130 0.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0150 -0.7360 0.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0970 -0.0720 -1.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3330 -1.6340 -2.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3800 -1.4450 0.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1730 0.0180 -0.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4790 -0.6710 -1.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0140 -2.3840 -1.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1380 -0.2200 -3.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9430 -1.7480 -3.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1940 -1.4970 -3.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9530 -3.0240 -3.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3230 -1.7680 -1.5620 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.2220 -2.7160 -1.1690 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