NIH-ZINC04039873 MOE2007 3D CORINA 3.40 0006 02.08.2006 63 65 0 0 1 0 0 0 0 0999 V2000 0.2130 1.5730 -0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1050 0.0870 -0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0890 -0.7340 1.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1130 -2.0540 0.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0330 -2.0500 -0.7310 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0370 -2.8700 -1.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1880 -0.7670 -1.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4070 -0.4550 -2.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5680 0.6610 -3.0860 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4240 -1.6150 -3.3360 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6430 -1.4310 -4.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2610 -3.3280 1.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1700 -0.2940 2.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2370 -0.3750 3.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3170 -0.0110 4.6840 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5540 -0.5840 5.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6110 -0.5210 5.1160 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3860 -0.9990 4.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5250 -1.4320 4.1390 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5690 -0.8880 2.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0100 -1.1460 1.7270 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0470 -0.5290 6.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0710 0.5740 6.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1320 1.9210 8.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2280 -0.5570 8.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1770 1.4720 4.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3380 1.9030 6.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2090 3.2640 6.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9100 4.2210 5.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7560 3.8020 4.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8900 2.4400 4.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6940 5.5160 5.9450 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2560 6.5300 5.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0390 0.2320 2.8300 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2310 1.8720 -0.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4810 1.9910 -0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 2.0250 0.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1590 -0.8280 -5.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6190 -0.9680 -4.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6350 -2.4160 -5.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3190 -3.5840 1.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2400 -4.1520 0.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1800 -3.2500 2.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5010 -1.5090 6.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1680 -0.4430 7.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6550 1.5520 6.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0030 0.4350 6.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0700 1.9600 8.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4740 2.7490 8.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3170 1.9400 9.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6180 -1.4540 8.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1430 -0.6170 8.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4600 -0.4140 9.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2260 1.1900 6.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4510 3.5840 7.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3290 4.5100 3.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5620 2.1530 3.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8940 6.4520 4.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3500 6.5070 5.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9300 7.4980 5.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9290 0.7560 3.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4260 0.6310 8.2830 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.5490 0.6410 8.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 14 2 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 26 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 23 62 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 24 62 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 25 62 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 54 1 0 0 0 0 28 29 1 0 0 0 0 28 55 1 0 0 0 0 29 30 2 0 0 0 0 29 32 1 0 0 0 0 30 31 1 0 0 0 0 30 56 1 0 0 0 0 31 57 1 0 0 0 0 32 33 1 0 0 0 0 33 58 1 0 0 0 0 33 59 1 0 0 0 0 33 60 1 0 0 0 0 34 61 1 0 0 0 0 62 63 1 0 0 0 0 M CHG 1 62 1 M END