IBS-ZINC04811664 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 37 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.3840 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 1.2040 -0.6760 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4020 0.0360 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3910 1.4350 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1430 2.0960 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6260 1.9680 -0.0220 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6330 1.1580 -0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0770 -0.5090 -0.0400 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0480 1.5750 -0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9990 0.6680 -0.0610 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3430 1.0640 -0.0710 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3530 0.1020 -0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6870 0.4920 -0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6840 -0.4630 -0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3570 -1.8070 -0.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0310 -2.1990 -0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0280 -1.2500 -0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6330 -3.0220 -0.1330 S 0 0 0 0 0 0 0 0 0 0 0 0 12.0560 -4.2000 -0.6790 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7800 -2.3910 -0.6850 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0020 -3.3690 1.4430 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3840 2.9660 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6520 4.0710 -0.0380 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9630 1.9040 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2180 -1.7560 -0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1080 3.1760 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5710 2.0070 -0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9440 1.5410 -0.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7210 -0.1600 -0.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7790 -3.2490 -0.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9930 -1.5570 -0.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3220 -4.2530 1.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8990 -2.6880 2.1270 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 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 28 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 23 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 19 20 2 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 23 24 3 0 0 0 0 M END