IBS-ZINC02229858 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3790 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2050 -0.6800 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4020 0.0330 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4270 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1690 2.0920 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6980 -0.6880 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8800 -0.0440 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1650 -1.2500 -0.0600 S 0 0 0 0 0 0 0 0 0 0 0 0 4.9590 -2.5340 -0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7730 -2.0110 -0.0370 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2360 -3.8930 -0.0640 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5140 -4.3210 -0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4230 -3.5160 -0.0810 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8120 -5.7840 -0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9030 -6.5880 -0.0810 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0900 -6.2110 -0.0980 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3820 -7.6470 -0.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8980 -7.8590 -0.1210 C 0 0 3 0 0 0 0 0 0 0 0 0 10.3440 -7.3960 0.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2160 -9.3670 -0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0500 -9.5640 -1.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5700 -8.1290 -1.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4600 -7.2870 -1.3140 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9600 1.9040 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5560 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2180 -1.7600 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3020 1.9840 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1480 3.1720 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0180 1.0270 -0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5100 -4.5360 -0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8160 -5.5680 -0.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9590 -8.1090 0.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9440 -8.1020 -0.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7990 -9.6440 0.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2960 -9.9500 -0.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8780 -10.2510 -1.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4230 -9.9130 -2.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4440 -7.9140 -1.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8010 -7.9990 -2.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 25 1 0 0 0 0 2 3 2 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 6 29 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 8 30 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 24 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 M END