NIH-ZINC04388839 MOE2007 3D CORINA 3.40 0006 02.08.2006 69 72 0 0 1 0 0 0 0 0999 V2000 0.5360 -2.0420 0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1620 -1.7170 -1.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3290 -1.9960 -1.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4760 -0.2440 -1.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9820 0.1150 -1.7510 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4530 -0.0150 -0.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6400 -0.6950 -2.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4590 -0.5140 -4.1220 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2490 -1.4360 -4.7560 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9230 -2.1640 -3.8800 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5590 -1.7000 -2.6720 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1580 -2.2650 -1.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8160 -3.7440 -1.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4240 -4.2770 -0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6670 -4.3460 1.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2410 -4.7930 2.3470 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5840 -5.1830 2.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3530 -5.1300 1.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7700 -4.6730 0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6640 -5.5240 1.3190 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3970 -5.7360 0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2330 -5.6260 3.5080 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4710 -5.7740 4.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6300 2.0510 -2.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8070 3.5080 -2.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9320 4.3780 -1.7070 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5150 4.0460 -1.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 2.5870 -1.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4170 5.4920 -1.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5640 6.2500 -0.3380 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0590 7.3370 0.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3780 7.7060 0.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1810 6.8770 -0.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7310 5.7790 -1.1430 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6020 -1.8870 0.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0200 -1.4140 0.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3090 -3.0880 0.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7170 -2.3870 -1.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9500 -1.3570 -0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6120 -1.8130 -2.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5670 -3.0390 -1.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 0.0030 -2.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0200 0.3670 -0.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2420 -2.1230 -1.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8420 -1.6770 -0.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7280 -3.8840 -1.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1750 -4.3420 -2.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -4.0520 1.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6130 -4.8260 3.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3500 -4.6110 -0.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3650 -6.1670 0.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8880 -6.4470 -0.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5880 -4.7880 -0.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1350 -6.1680 5.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0920 -4.8070 5.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6570 -6.4930 4.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1990 1.3890 -2.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9580 1.9120 -0.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8680 3.7640 -2.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5480 3.5970 -3.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9240 4.6860 -1.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1030 4.1830 -2.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5980 2.4320 -0.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2570 2.3350 -1.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3330 7.9200 0.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7570 8.5830 0.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2430 7.0730 -0.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1500 1.6260 -2.0820 N 0 3 0 0 0 0 0 0 0 0 0 0 1.8490 1.7230 -3.0640 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 4 1 0 0 0 0 2 38 1 0 0 0 0 3 39 1 0 0 0 0 3 40 1 0 0 0 0 3 41 1 0 0 0 0 4 5 1 0 0 0 0 4 42 1 0 0 0 0 4 43 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 68 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 14 1 0 0 0 0 13 46 1 0 0 0 0 13 47 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 48 1 0 0 0 0 16 17 1 0 0 0 0 16 49 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 50 1 0 0 0 0 20 21 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 22 23 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 23 56 1 0 0 0 0 24 25 1 0 0 0 0 24 57 1 0 0 0 0 24 58 1 0 0 0 0 24 68 1 0 0 0 0 25 26 1 0 0 0 0 25 59 1 0 0 0 0 25 60 1 0 0 0 0 26 27 1 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 61 1 0 0 0 0 27 62 1 0 0 0 0 28 63 1 0 0 0 0 28 64 1 0 0 0 0 28 68 1 0 0 0 0 29 30 1 0 0 0 0 29 34 2 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 31 65 1 0 0 0 0 32 33 2 0 0 0 0 32 66 1 0 0 0 0 33 34 1 0 0 0 0 33 67 1 0 0 0 0 68 69 1 0 0 0 0 M CHG 1 68 1 M END