NIH-ZINC04001690 MOE2007 3D CORINA 3.40 0006 02.08.2006 69 71 0 0 0 0 0 0 0 0999 V2000 -0.5200 0.7410 1.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1180 -0.5240 1.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9900 -1.3810 0.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1460 -2.3060 0.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1990 -2.9100 1.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6270 -3.3800 2.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3030 -4.6350 1.9690 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0920 -5.2390 2.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2430 -4.7420 3.9780 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7730 -6.5040 2.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6010 -7.0760 1.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2360 -8.2580 0.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0510 -8.8830 1.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2280 -8.3160 3.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5970 -7.1280 3.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0490 -8.9470 4.1080 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6570 -8.8930 5.7160 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5920 -9.7280 6.3850 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4720 -7.5210 6.0380 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0830 -9.6640 5.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0020 -11.0230 6.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7670 -11.6280 6.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6130 -10.8730 6.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6940 -9.5130 5.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9290 -8.9080 5.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7340 -11.5320 6.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6910 -10.0780 1.5780 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5850 -9.9020 0.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3770 -11.1900 0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4030 -12.3430 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4520 -12.4740 1.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7160 -11.1480 1.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8050 0.5630 2.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1950 1.5620 1.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4060 0.9980 1.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4040 -0.3460 0.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 -0.7810 1.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6980 -1.5750 -0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3070 -0.3430 0.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0290 -2.0460 0.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8670 -3.3400 0.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3640 -2.1920 1.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4540 -2.7800 0.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9610 -3.6540 0.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3700 -2.6220 2.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0300 -3.5380 3.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1830 -5.0320 1.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9680 -6.5930 0.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1010 -8.6990 -0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7360 -6.6860 4.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8470 -9.4170 3.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9040 -11.6130 6.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7040 -12.6900 6.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2080 -8.9230 5.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9930 -7.8450 5.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0280 -11.5170 7.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4720 -10.9920 5.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6740 -12.5640 5.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9940 -9.6720 -0.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2750 -9.0820 0.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0290 -11.0640 -0.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9790 -11.4120 1.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8280 -12.1380 -0.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9620 -13.2700 -0.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7290 -13.2650 0.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0240 -12.7160 2.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0480 -11.2340 2.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1340 -10.9130 0.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8460 -1.6310 1.4260 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 36 1 0 0 0 0 2 37 1 0 0 0 0 2 69 1 0 0 0 0 3 4 1 0 0 0 0 3 38 1 0 0 0 0 3 39 1 0 0 0 0 3 69 1 0 0 0 0 4 40 1 0 0 0 0 4 41 1 0 0 0 0 4 42 1 0 0 0 0 5 6 1 0 0 0 0 5 43 1 0 0 0 0 5 44 1 0 0 0 0 5 69 1 0 0 0 0 6 7 1 0 0 0 0 6 45 1 0 0 0 0 6 46 1 0 0 0 0 7 8 1 0 0 0 0 7 47 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 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 48 1 0 0 0 0 12 13 1 0 0 0 0 12 49 1 0 0 0 0 13 14 2 0 0 0 0 13 27 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 50 1 0 0 0 0 16 17 1 0 0 0 0 16 51 1 0 0 0 0 17 18 2 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 52 1 0 0 0 0 22 23 1 0 0 0 0 22 53 1 0 0 0 0 23 24 2 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 24 54 1 0 0 0 0 25 55 1 0 0 0 0 26 56 1 0 0 0 0 26 57 1 0 0 0 0 26 58 1 0 0 0 0 27 28 1 0 0 0 0 27 32 1 0 0 0 0 28 29 1 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 29 30 1 0 0 0 0 29 61 1 0 0 0 0 29 62 1 0 0 0 0 30 31 1 0 0 0 0 30 63 1 0 0 0 0 30 64 1 0 0 0 0 31 32 1 0 0 0 0 31 65 1 0 0 0 0 31 66 1 0 0 0 0 32 67 1 0 0 0 0 32 68 1 0 0 0 0 M END