IBS-ZINC04104259 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 45 0 0 0 0 0 0 0 0999 V2000 1.6080 1.2070 0.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -0.2420 0.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9040 -0.9700 1.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9740 -0.3920 2.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6760 -1.1460 3.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3040 -2.4820 3.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2260 -3.0750 2.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5250 -2.3310 1.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4640 -2.8650 0.1220 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7520 -2.1340 -0.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1060 -0.8530 -0.8490 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6780 -2.7200 -2.1910 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3090 -4.0460 -2.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 -4.7470 -1.2480 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2360 -4.6210 -3.5440 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9480 -5.6830 -3.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7840 -6.3220 -2.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9340 -6.2560 -5.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2260 -6.8480 -5.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2330 -7.3840 -6.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9050 -7.3400 -7.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0650 -6.7580 -7.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0920 -6.2060 -5.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3270 -5.5770 -5.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3560 -5.1280 -4.3300 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6920 1.2750 0.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2880 1.7240 -0.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1400 1.6700 1.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2620 0.6420 2.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7300 -0.7010 4.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0740 -3.0580 4.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0630 -4.1120 2.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8870 -2.1990 -2.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3070 -5.6530 -1.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1890 -7.0680 -2.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -6.8000 -3.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1130 -5.5580 -2.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1180 -6.8870 -5.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1330 -7.8410 -7.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8880 -7.7630 -8.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9480 -6.7280 -7.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4200 -5.5020 -6.2430 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2040 -5.0820 -5.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 11 2 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 7 2 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 32 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 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 34 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 22 2 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 42 1 0 0 0 0 42 43 1 0 0 0 0 M END