IBS-ZINC02117250 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 45 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 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 0.7180 -0.4980 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7110 -0.4890 1.1890 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0510 -0.6340 2.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1290 -0.3610 2.4230 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7800 -1.1330 3.5760 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1900 -2.1200 3.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9410 -0.1680 3.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6590 0.2690 5.6580 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5470 -1.1560 5.9830 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0910 -2.0670 6.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1710 -1.2440 4.6840 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4800 -1.3760 4.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3290 -1.7900 4.2120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7300 -0.9470 6.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4860 -0.7960 7.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4170 -0.3860 8.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5780 -0.1380 9.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8150 -0.3010 8.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9080 -0.6970 7.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1150 -0.8620 6.4800 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7160 -2.1550 6.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9500 -0.0630 9.1490 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7900 0.3530 10.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7410 -0.1200 -1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7330 -1.5870 -1.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 -0.1360 -2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6540 -0.7070 1.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9020 -0.6680 3.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8860 0.7200 3.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5450 -0.2560 8.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5170 0.1840 10.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6750 -2.1510 6.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0600 -2.8970 6.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8730 -2.4040 7.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2540 -0.4170 11.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2250 1.2840 10.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7710 0.5080 10.9580 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 4 1 0 0 0 0 2 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 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 7 13 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 19 20 2 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 M END