NIH-ZINC02191071 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 48 0 0 1 0 0 0 0 0999 V2000 3.2220 0.1880 -0.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5340 -1.1550 -0.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2720 -1.3200 0.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5850 -2.6630 1.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3230 -2.8280 2.7450 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2580 -2.7090 3.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3220 -1.7670 3.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9810 -1.9180 2.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7590 -4.2000 3.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1800 -4.7970 2.1250 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8970 -4.7640 4.2240 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2620 -6.0530 4.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5740 -6.4660 5.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0790 -7.7910 6.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6060 -8.9680 6.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0070 -10.1840 6.2760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2770 -10.2240 6.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9620 -9.0470 7.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3610 -7.8310 6.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0410 -11.7740 7.1300 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.4430 -11.5470 7.0960 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3890 -12.7330 6.3100 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6700 -12.1670 8.6960 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1680 0.2190 -0.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4080 0.3060 -1.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5790 0.9970 -0.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5880 -1.1860 -1.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1770 -1.9630 -0.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2190 -1.2890 1.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6300 -0.5110 1.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6380 -2.6940 0.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2280 -3.4710 0.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1210 -1.8970 4.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 -0.7750 3.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7470 -1.2800 2.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8150 -1.6240 1.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3090 -2.9570 2.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4170 -4.3160 4.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8160 -5.9630 4.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6470 -6.8080 3.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6520 -6.5560 6.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1890 -5.7110 6.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6080 -8.9370 5.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5420 -11.1030 6.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9650 -9.0780 7.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8950 -6.9120 6.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1210 -11.5700 9.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0010 -12.9940 9.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 35 1 0 0 0 0 8 36 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 39 1 0 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 13 42 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 43 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 19 46 1 0 0 0 0 20 21 2 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 M END