COMGENEX-ZINC06712387 MOE2007 3D Structure written by MMmdl. 52 53 0 0 1 0 0 0 0 0999 V2000 2.1990 0.5480 0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6770 0.5970 0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2820 1.1000 -1.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 1.4850 1.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2450 0.9700 2.5060 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3860 -0.1720 3.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3130 -1.0550 2.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7200 -2.1080 3.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2290 -2.2740 4.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2940 -1.3620 5.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0960 -0.3270 4.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9970 1.5480 3.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7550 2.8740 3.4280 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1100 3.5370 2.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9660 3.5160 4.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0380 2.7200 2.7350 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6100 3.7710 2.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0840 4.8760 1.9180 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9700 3.4850 1.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3500 5.4400 2.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6200 4.6290 -0.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7150 -3.4300 5.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2610 -3.4960 6.6760 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5040 0.1510 1.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6290 -0.1020 -0.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6370 1.5430 0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3040 -0.4280 0.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7070 0.4610 -2.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8060 1.0950 -1.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6380 2.1220 -1.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4330 2.5030 1.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0440 1.5580 0.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7000 -0.9380 1.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4470 -2.8280 2.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0970 -1.4560 6.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6320 2.9090 5.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4150 4.5100 4.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0130 3.6180 5.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5040 1.8180 2.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6210 2.9170 2.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8000 2.9250 0.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1630 4.7940 2.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7320 6.4120 1.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6050 5.5780 3.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0460 4.2580 -0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0390 5.6110 -0.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4060 3.9220 0.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9600 0.7230 4.5370 N 0 3 0 0 0 0 0 0 0 0 0 0 1.4450 0.8760 5.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6820 4.7840 1.0420 N 0 3 0 0 0 0 0 0 0 0 0 0 4.9250 5.4280 0.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5350 -4.2340 4.9540 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 4 1 0 0 0 0 2 27 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 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 11 2 0 0 0 0 7 8 2 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 2 0 0 0 0 9 22 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 11 48 1 0 0 0 0 12 13 1 0 0 0 0 12 48 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 15 36 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