IBS-ZINC02217326 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 1 0 0 0 0 0999 V2000 0.1160 1.3060 -0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -0.1430 -0.0450 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0130 -0.8030 1.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0540 -2.1680 1.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0790 -3.0040 0.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1010 -4.2290 0.1060 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0680 -2.2750 -1.0790 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0980 -2.8060 -1.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0180 -0.8920 -1.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0230 -0.4080 -2.3590 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0890 -2.4400 2.6000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 -1.2260 3.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -0.2190 2.4050 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 -1.1120 4.9850 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4920 0.6190 5.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5910 0.8530 6.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0220 2.2700 7.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2740 3.0520 6.2150 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1940 -3.7660 3.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1730 -4.3160 3.6260 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0040 -3.7620 3.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3070 -5.8010 3.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6470 -6.2250 3.5330 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9640 -7.5410 3.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1280 -8.4310 2.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5320 -9.7460 2.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7740 -10.1840 2.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6340 -9.3160 3.5130 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2340 -7.9760 3.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1270 -7.1320 4.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3690 -7.5900 4.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7480 -8.9050 4.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8870 -9.7630 3.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3110 -4.1830 5.0470 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2620 -3.2330 5.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0290 1.6300 0.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1370 1.6780 -1.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7580 1.7250 0.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4560 0.8050 4.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2540 1.2860 4.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3790 0.6650 7.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3210 0.1630 7.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8910 -3.6950 4.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6790 -4.4100 2.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6070 -6.3980 3.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1030 -5.9190 2.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 -8.1320 2.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8770 -10.4300 1.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0670 -11.2150 2.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8520 -6.0990 4.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0340 -6.9170 5.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7140 -9.2660 4.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2030 -10.7890 3.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0760 2.4780 8.4180 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 2 9 1 0 0 0 0 3 4 2 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 11 12 1 0 0 0 0 11 19 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 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 18 2 0 0 0 0 17 54 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 34 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 26 27 2 0 0 0 0 26 48 1 0 0 0 0 27 28 1 0 0 0 0 27 49 1 0 0 0 0 28 29 1 0 0 0 0 28 33 2 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 30 50 1 0 0 0 0 31 32 2 0 0 0 0 31 51 1 0 0 0 0 32 33 1 0 0 0 0 32 52 1 0 0 0 0 33 53 1 0 0 0 0 34 35 1 0 0 0 0 M CHG 1 54 -1 M END