IBS-ZINC00244585 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 0 0 0 0 0 0999 V2000 -0.0380 1.4860 0.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0210 0.0340 0.0670 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2530 -0.6620 -0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2160 -0.6840 0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4240 -0.0220 0.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6060 -0.7290 0.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5900 -2.1120 0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3770 -2.7740 -0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1980 -2.0610 -0.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8600 -2.8750 0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8630 -4.2620 -0.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0590 -4.9340 -0.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2030 -4.2840 0.0660 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.2410 -2.9680 0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0860 -2.2280 0.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3810 -4.9920 0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5240 -4.5660 -0.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7760 -5.7760 -0.3220 S 0 0 0 0 0 0 0 0 0 0 0 0 -9.6960 -6.7110 0.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5310 -6.1420 0.6860 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.0100 -7.8900 1.1980 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6600 -3.3840 -1.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7450 -3.0700 -1.7860 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9810 1.8690 0.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6260 1.9530 -0.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4840 1.7150 1.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6510 -0.9730 0.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0940 -1.5400 -0.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9620 0.0070 -0.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4360 1.0480 0.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5440 -0.2150 0.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3620 -3.8440 -0.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2590 -2.5730 -0.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9360 -4.7970 -0.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0710 -6.0040 -0.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1910 -2.4760 0.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1230 -1.1590 0.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9210 -8.1750 1.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8010 -2.7530 -1.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 38 1 0 0 0 0 22 23 2 0 0 0 0 22 39 1 0 0 0 0 M CHG 1 13 1 M END