NIH-ZINC06545965 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 60 0 0 1 0 0 0 0 0999 V2000 0.5530 0.8930 -0.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4800 -0.5110 0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8650 -0.9840 -0.0730 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0920 -2.2470 0.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2650 -2.9770 0.8870 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5060 -2.6300 0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8770 -3.9250 0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2280 -4.2170 0.0300 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2390 -3.3080 0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4120 -3.6630 0.2250 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8670 -2.0060 0.2600 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5180 -1.5100 0.0570 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.3470 -0.8220 0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5410 -0.7110 -1.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5300 0.6650 -1.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5450 1.0770 -2.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5750 0.0060 -3.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5840 -1.4860 -2.7660 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.9690 -5.1390 0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5360 -7.3950 1.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7310 -8.2560 2.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1710 -7.5870 3.5300 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5760 -6.1950 3.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3550 -5.3440 2.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3450 -8.2600 4.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7270 -7.6170 5.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5630 -8.2960 5.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3350 -9.6380 6.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2900 -10.3100 5.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5390 -9.6230 4.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1310 -10.2910 7.0720 F 0 0 0 0 0 0 0 0 0 0 0 0 1.5630 1.3020 -0.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2710 0.8980 -1.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1490 1.5550 0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 -1.1680 -0.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 -0.4990 1.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5560 -5.1670 -0.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6130 -1.3470 0.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5040 1.3530 -0.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5360 2.1080 -3.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5940 0.0290 -4.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2960 -5.7830 -0.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9130 -4.9300 -0.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4760 -7.3050 0.8280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0890 -7.8240 0.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8000 -8.4370 2.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2580 -9.2260 2.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6430 -6.1890 4.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0590 -5.7280 4.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7810 -4.3470 2.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2910 -5.2720 2.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9510 -6.5730 4.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3890 -7.7850 6.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1190 -11.3590 5.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3670 -10.1700 4.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0630 -5.9830 1.3110 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.0570 -6.0590 1.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 19 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 16 17 2 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 19 56 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 20 56 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 24 56 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 52 1 0 0 0 0 27 28 1 0 0 0 0 27 53 1 0 0 0 0 28 29 2 0 0 0 0 28 31 1 0 0 0 0 29 30 1 0 0 0 0 29 54 1 0 0 0 0 30 55 1 0 0 0 0 56 57 1 0 0 0 0 M CHG 1 56 1 M END