CHEMDIV-ZINC00217945 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 42 0 0 0 0 0 0 0 0999 V2000 0.2170 0.4190 0.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3700 -0.1570 1.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5250 -0.2770 0.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4520 0.1850 -0.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3290 0.7560 -1.5090 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2480 0.8600 -0.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7760 0.0380 -2.1810 S 0 0 0 0 0 0 0 0 0 0 0 0 4.6830 1.5530 -1.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1730 1.2850 -1.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8950 1.7480 -2.6680 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6350 0.5230 -0.7330 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0320 0.1910 -0.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8030 1.3270 0.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2820 1.0370 0.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1880 1.6190 -0.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6690 1.4130 -0.4280 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0810 0.7570 0.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1440 -0.3910 1.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6950 0.0910 1.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7500 -0.8850 0.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5750 -1.9180 1.6470 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.6770 0.5180 1.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3820 -0.5190 2.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6230 1.3190 -1.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4400 2.3330 -2.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4170 1.9320 -0.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9210 0.1520 -0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0650 -0.7210 0.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4660 -0.0360 -1.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6550 2.2550 -0.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3810 1.5260 1.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8530 2.2830 -1.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0000 0.7950 -1.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1790 2.3790 -0.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1120 0.3930 0.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0650 1.5030 1.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2100 -1.1690 0.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4560 -0.8520 2.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5590 0.6030 2.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0420 -0.7890 1.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8660 -0.3040 0.7210 O 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 22 1 0 0 0 0 2 3 2 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 20 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 6 24 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 12 13 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 15 2 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 2 0 0 0 0 M CHG 1 21 -1 M END