COMGENEX-ZINC04459777 MOE2007 3D Structure written by MMmdl. 60 61 0 0 1 0 0 0 0 0999 V2000 2.1200 5.7020 6.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3560 4.2200 7.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0440 3.4320 7.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3070 1.9500 7.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8580 1.1530 6.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1150 0.6920 4.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0700 0.5700 3.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3540 0.1370 2.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8510 -0.0380 2.3970 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2650 -0.0190 1.4980 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7090 -0.4290 0.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8430 -0.5640 -0.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7650 1.3340 8.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 0.7660 9.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7680 -0.1790 9.7250 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1840 1.3690 11.1390 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2220 2.3380 11.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5800 2.1580 12.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 1.7690 13.7460 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7190 1.0390 12.2410 C 0 0 3 0 0 0 0 0 0 0 0 0 0.7160 -0.0510 12.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 1.5390 12.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4050 2.8850 11.6880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7110 3.3100 11.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7520 2.3930 11.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5150 1.0610 11.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2100 0.6340 12.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0040 2.8000 11.2510 F 0 0 0 0 0 0 0 0 0 0 0 0 3.0710 6.2440 6.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6430 5.8700 5.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4780 6.1290 7.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8630 4.0900 8.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0280 3.8310 6.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5490 3.5760 6.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3810 3.8430 7.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8400 1.8010 8.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9290 1.5160 6.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2560 2.1670 6.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6910 0.4700 6.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3690 -0.2750 5.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6800 1.4020 4.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5450 1.5380 3.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8450 -0.1710 3.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2010 -1.3920 0.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0050 0.3250 -0.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4670 -0.8760 -1.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5770 -1.3000 -0.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3750 0.3870 -0.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9710 2.4020 8.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7020 0.7770 8.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8150 3.3390 11.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1020 2.2100 10.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2570 1.3090 13.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0440 3.0520 13.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6010 3.6160 11.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9200 4.3480 11.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3440 0.3620 11.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0360 -0.4140 12.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0320 1.1220 7.4190 N 0 3 0 0 0 0 0 0 0 0 0 0 0.3730 0.1490 7.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 4 59 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 5 39 1 0 0 0 0 5 59 1 0 0 0 0 6 7 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 42 1 0 0 0 0 7 43 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 44 1 0 0 0 0 11 45 1 0 0 0 0 12 46 1 0 0 0 0 12 47 1 0 0 0 0 12 48 1 0 0 0 0 13 14 1 0 0 0 0 13 49 1 0 0 0 0 13 50 1 0 0 0 0 13 59 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 20 1 0 0 0 0 17 18 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 19 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 55 1 0 0 0 0 24 25 1 0 0 0 0 24 56 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 57 1 0 0 0 0 27 58 1 0 0 0 0 59 60 1 0 0 0 0 M CHG 1 59 1 M END