NIH-ZINC06577935 MOE2007 3D CORINA 3.40 0006 02.08.2006 68 71 0 0 0 0 0 0 0 0999 V2000 0.9070 -4.2390 -2.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7090 -3.1200 -2.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2190 -3.5940 -0.9310 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9630 -2.6910 -0.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1900 -1.5520 -0.6290 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4240 -3.2020 0.9660 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2270 -2.3740 1.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6030 -2.3360 3.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3490 -3.6990 3.7620 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5530 -4.5360 2.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 -4.5650 1.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7750 -4.2340 4.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5490 -5.4010 5.2940 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5170 -3.3100 5.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2650 -4.1040 7.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9720 -3.1740 7.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2140 -1.4240 7.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5190 -2.3630 6.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6430 -1.3370 9.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6970 -0.5860 10.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3120 -0.8150 11.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4090 0.1490 12.1500 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2680 0.9140 11.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0340 0.5210 10.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3540 2.0590 11.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5210 3.0540 10.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7140 4.1920 10.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7170 4.3580 11.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5230 3.3820 11.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3230 2.2230 12.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0280 1.2170 13.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 -1.8100 12.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0830 -4.5420 -2.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4950 -3.9250 -3.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5330 -5.1230 -2.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5420 -2.8420 -2.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0640 -2.2510 -2.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2270 -2.8210 1.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3320 -1.3560 1.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2490 -1.7590 3.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6320 -1.8290 3.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4500 -5.5570 3.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5490 -4.0950 2.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4980 -5.1130 0.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1240 -5.0860 1.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2720 -2.7480 5.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5700 -4.7490 7.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -4.7690 6.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4300 -3.7480 8.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7380 -2.5690 7.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9290 -0.7670 7.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4570 -0.8270 8.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9750 -1.7670 5.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7550 -2.9450 7.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3040 -0.6510 9.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2670 -1.9920 10.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3010 2.9490 9.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8680 4.9480 9.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0860 5.2430 10.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2680 3.5320 12.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8290 1.2120 13.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0950 1.4530 13.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9010 0.2170 12.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5040 -1.4670 13.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8060 -1.9750 13.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9100 -2.7710 12.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9720 -2.2270 8.6020 N 0 3 0 0 0 0 0 0 0 0 0 0 4.2830 -2.7940 9.1160 H 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 3 1 0 0 0 0 2 36 1 0 0 0 0 2 37 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 1 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 38 1 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 40 1 0 0 0 0 8 41 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 11 44 1 0 0 0 0 11 45 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 14 46 1 0 0 0 0 15 16 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 49 1 0 0 0 0 16 50 1 0 0 0 0 16 67 1 0 0 0 0 17 18 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 17 67 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 19 20 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 19 67 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 21 32 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 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 57 1 0 0 0 0 27 28 1 0 0 0 0 27 58 1 0 0 0 0 28 29 2 0 0 0 0 28 59 1 0 0 0 0 29 30 1 0 0 0 0 29 60 1 0 0 0 0 30 31 1 0 0 0 0 31 61 1 0 0 0 0 31 62 1 0 0 0 0 31 63 1 0 0 0 0 32 64 1 0 0 0 0 32 65 1 0 0 0 0 32 66 1 0 0 0 0 67 68 1 0 0 0 0 M CHG 1 67 1 M END