IBS-ZINC01252667 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 -0.0120 1.4190 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0350 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1980 -0.6470 -0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 0.0630 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3820 1.4620 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1760 2.1290 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6850 -0.6560 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8490 0.0350 -0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0780 -0.6550 -0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2510 0.0410 -0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6160 -0.4920 -0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8510 -1.6860 -0.1140 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5730 0.4200 -0.0850 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2460 1.7180 -0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0160 2.6590 -0.0520 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4760 1.8020 -0.0570 S 0 0 0 0 0 0 0 0 0 0 0 0 10.9800 0.0140 -0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4540 -0.1030 -1.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6910 0.1300 -2.4390 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7260 -0.4660 -1.7860 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1320 -0.6870 -3.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2040 -1.0510 -4.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6090 -1.2690 -5.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9410 -1.1270 -5.7200 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8770 -0.7660 -4.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4820 -0.5370 -3.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4760 -0.1460 -2.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1470 -0.0390 -1.2750 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9540 1.9480 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9320 -0.5120 -0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2050 -1.7270 -0.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3080 2.0180 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1580 3.2090 0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6980 -1.7360 -0.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8360 1.1140 -0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0910 -1.7350 -0.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5800 0.7600 0.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0860 -0.9500 0.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3580 -0.5750 -1.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1630 -1.1640 -3.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8830 -1.5520 -6.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2480 -1.3000 -6.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9140 -0.6570 -5.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7510 0.0940 -2.8040 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3680 0.3480 -2.1030 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 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 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 32 1 0 0 0 0 6 33 1 0 0 0 0 7 8 2 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 9 10 2 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 16 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 24 25 2 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 43 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 44 1 0 0 0 0 44 45 1 0 0 0 0 M END