COMGENEX-ZINC06689579 MOE2007 3D Structure written by MMmdl. 68 70 0 0 0 0 0 0 0 0999 V2000 0.4750 9.3400 8.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 9.6250 7.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4450 8.9550 6.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2390 11.1380 6.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2130 9.0550 6.0050 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1190 9.3450 5.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7200 10.1990 6.4710 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7890 8.5540 4.8870 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1920 8.9010 4.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1420 8.3510 5.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8830 10.1980 5.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3620 10.4860 5.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1980 9.6240 6.2410 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9860 8.2500 5.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5460 7.8400 6.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2380 7.3840 4.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2630 6.1740 5.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9870 4.9300 6.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5780 4.1470 5.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7410 4.9310 4.8540 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3520 4.4610 3.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3380 4.4470 2.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6490 5.0070 1.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7230 4.9690 0.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5200 4.3590 0.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8420 3.7830 1.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0880 3.8300 2.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0140 3.1500 1.9180 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9540 2.9790 0.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3140 8.2660 8.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1490 9.6890 9.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4870 9.8380 8.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9130 9.1350 6.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1230 9.3360 7.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3650 7.8690 7.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2920 11.6790 6.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9350 11.5560 7.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6320 11.3590 5.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6960 8.4770 5.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2630 9.9940 4.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4760 8.5310 3.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0930 7.2560 5.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8920 8.7010 6.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6330 10.3540 6.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2480 10.8150 5.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6040 10.3700 4.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5940 11.5170 5.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2390 8.0830 4.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6740 7.6520 6.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3590 6.8050 5.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3030 7.9790 7.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1940 7.5240 3.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8280 7.1600 3.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6660 4.7820 7.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9070 3.1230 5.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1900 5.1300 3.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7580 3.4530 3.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6170 5.4740 1.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9740 5.4080 -0.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2090 4.3440 -0.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1770 3.3630 3.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8060 2.4210 1.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3250 3.9460 0.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5260 2.3930 0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8130 6.1590 6.3660 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.4090 6.9740 6.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5860 8.7300 5.4220 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.7860 8.5750 4.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 33 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 38 1 0 0 0 0 5 6 1 0 0 0 0 5 39 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 16 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 10 67 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 11 67 1 0 0 0 0 12 13 1 0 0 0 0 12 46 1 0 0 0 0 12 47 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 15 50 1 0 0 0 0 15 51 1 0 0 0 0 15 67 1 0 0 0 0 16 17 1 0 0 0 0 16 52 1 0 0 0 0 16 53 1 0 0 0 0 17 20 1 0 0 0 0 17 65 2 0 0 0 0 18 19 2 0 0 0 0 18 54 1 0 0 0 0 18 65 1 0 0 0 0 19 20 1 0 0 0 0 19 55 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 56 1 0 0 0 0 21 57 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 58 1 0 0 0 0 24 25 1 0 0 0 0 24 59 1 0 0 0 0 25 26 2 0 0 0 0 25 60 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 27 61 1 0 0 0 0 28 29 1 0 0 0 0 29 62 1 0 0 0 0 29 63 1 0 0 0 0 29 64 1 0 0 0 0 65 66 1 0 0 0 0 67 68 1 0 0 0 0 M CHG 1 65 1 M CHG 1 67 1 M END