COMGENEX-ZINC06690246 MOE2007 3D Structure written by MMmdl. 52 53 0 0 1 0 0 0 0 0999 V2000 -0.8780 9.7550 -1.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1610 8.4190 -1.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7120 8.3150 0.1510 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3490 9.2060 0.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0770 8.3280 1.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6230 7.1430 0.0790 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2410 5.7860 0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 5.1570 0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 3.7550 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2200 3.0060 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4610 3.6630 -0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4230 5.0470 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9730 7.2090 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8480 8.4210 -0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9460 9.0090 -1.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8470 10.1470 -1.5260 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0350 10.8290 -2.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4680 10.5500 -3.7690 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0170 11.9970 -2.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0140 13.7700 -4.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5860 11.3760 -4.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1780 1.4990 -0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2970 0.9000 -0.1340 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6040 9.8950 -0.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1670 10.5870 -1.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4220 9.8030 -2.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4740 8.2820 -1.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9050 7.6170 -1.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8540 7.5600 1.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5900 8.1500 2.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5630 9.2960 1.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9330 5.7020 0.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9350 3.2200 0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4000 3.1230 -0.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4660 9.1400 0.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8330 8.0960 0.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3060 8.2550 -2.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9620 9.3350 -1.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3400 10.4350 -0.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4750 12.8700 -2.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8730 11.7750 -2.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8510 13.9090 -3.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3180 13.9550 -5.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1770 14.4220 -3.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1650 10.3680 -4.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8350 11.6350 -5.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4640 11.4560 -3.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4440 5.9590 -0.0080 N 0 3 0 0 0 0 0 0 0 0 0 0 4.4260 5.7040 -0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5460 12.3470 -4.0340 N 0 3 0 0 0 0 0 0 0 0 0 0 5.7340 12.2360 -4.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 0.9590 -0.1250 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 29 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 10 11 2 0 0 0 0 10 22 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 12 48 1 0 0 0 0 13 14 1 0 0 0 0 13 48 2 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 19 50 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 20 50 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 21 50 1 0 0 0 0 22 23 2 0 0 0 0 22 52 1 0 0 0 0 48 49 1 0 0 0 0 50 51 1 0 0 0 0 M CHG 1 48 1 M CHG 1 50 1 M CHG 1 52 -1 M END