COMGENEX-ZINC06727684 MOE2007 3D Structure written by MMmdl. 57 59 0 0 1 0 0 0 0 0999 V2000 3.1990 2.4870 -1.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8540 1.7740 -1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0520 2.0640 0.0750 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6460 1.8480 0.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1940 1.1970 0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1720 -0.0260 0.2320 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3690 1.9250 0.0170 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2720 3.3760 -0.0740 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8370 3.7580 0.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4740 3.7840 0.1700 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.8120 3.9460 -1.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6840 3.2390 -2.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1970 3.7390 -3.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8340 4.9750 -3.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9500 5.7070 -2.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4390 5.2070 -1.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5290 5.8580 -0.1890 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8190 7.2520 -0.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0230 2.9190 -4.8620 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4650 3.4120 -6.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6590 1.2470 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0620 0.7350 1.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6920 -1.6750 0.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8540 -2.6760 0.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1540 -1.3430 2.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0000 -0.3320 2.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0810 3.5730 -1.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 2.2480 -0.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7590 2.1700 -2.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0420 0.6950 -1.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2740 2.0290 -2.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1810 2.2740 -2.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2520 5.4050 -4.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4560 6.6670 -2.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1310 7.7860 -0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8610 7.4240 -0.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6830 7.6490 0.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9420 4.3360 -6.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2220 2.6600 -6.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5500 3.5550 -6.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4310 1.9200 -0.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5730 0.4150 -0.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2420 0.2500 1.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4210 1.5760 2.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1880 -1.5880 -0.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9710 -1.9800 1.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4900 -3.6940 0.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5510 -2.4060 0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6540 -1.4710 3.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8890 -1.0390 1.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2970 -0.6070 3.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3900 0.6740 2.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2050 -0.2820 1.3000 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.8400 0.0560 0.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6480 -2.7000 2.0950 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.0860 -3.1170 2.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4510 -3.3420 1.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 10 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 21 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 19 1 0 0 0 0 14 15 2 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 22 53 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 23 53 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 24 55 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 25 55 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 53 54 1 0 0 0 0 55 56 1 0 0 0 0 55 57 1 0 0 0 0 M CHG 1 53 1 M CHG 1 55 1 M END