COMGENEX-ZINC06676173 MOE2007 3D Structure written by MMmdl. 48 49 0 0 0 0 0 0 0 0999 V2000 0.4430 3.5040 -0.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4620 3.7370 0.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2950 5.2320 0.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0700 2.9240 1.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8860 3.3400 0.0600 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9780 4.3120 0.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2880 4.5450 1.7160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6460 4.1380 3.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7500 5.4820 3.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5510 5.7180 2.3390 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6140 7.0280 1.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1390 2.0280 -0.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3210 1.1180 -0.4280 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4840 1.6670 -0.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8490 2.0630 -2.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0720 1.6490 -2.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9170 0.8300 -1.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5430 0.4200 -0.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3180 0.8330 -0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9450 0.4500 1.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4690 1.2440 2.0470 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2150 -0.8620 1.4440 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8550 -1.3510 2.7380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 4.0240 -1.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4590 3.8770 -0.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5420 2.4470 -1.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8340 5.4910 1.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7590 5.4770 0.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6390 5.8890 -0.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1170 1.8510 1.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0840 3.2390 1.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5690 3.0590 2.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7270 5.2660 -0.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9300 3.9760 -0.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7290 3.4800 4.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9510 6.3160 4.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2860 6.9730 0.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9920 7.7760 2.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6110 7.3140 1.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1800 2.6720 -2.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3620 1.9490 -3.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8660 0.5030 -2.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2150 -0.2170 -0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4280 -0.8340 3.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0970 -2.4170 2.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7800 -1.2320 2.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3830 3.5950 2.6600 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.2830 2.5780 2.4620 H 0 0 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 4 1 0 0 0 0 2 5 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 12 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 7 10 1 0 0 0 0 7 47 2 0 0 0 0 8 9 2 0 0 0 0 8 35 1 0 0 0 0 8 47 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 17 18 2 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 47 48 1 0 0 0 0 M CHG 1 47 1 M END