IBS-ZINC02288678 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 51 0 0 0 0 0 0 0 0999 V2000 0.0970 1.4280 -0.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0440 0.0310 -0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2310 -0.6970 -0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4640 -0.0500 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5080 1.3470 -0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3260 2.1080 -0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3830 3.5700 -0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4010 4.4980 -0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7830 5.7720 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4050 5.5820 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1860 4.2240 -0.0410 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6060 6.5860 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9250 6.3740 0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8590 7.5260 0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4820 8.6910 0.0530 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1730 7.0870 0.1460 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3660 5.7180 0.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8010 4.8710 0.2960 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.8070 4.9060 0.1550 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.2530 8.0810 0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6950 8.4300 -1.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8560 9.4290 -1.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2940 9.7790 -2.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4700 10.7550 -2.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9810 11.1560 -4.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3300 10.7150 -5.0880 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1760 -2.5040 -0.1030 S 0 0 0 0 0 0 0 0 0 0 0 0 2.3180 -2.8510 0.7390 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1280 -2.7800 0.4950 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3170 -2.9540 -1.6230 N 0 5 0 0 0 0 0 0 0 0 0 0 2.2300 -2.6660 -1.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8390 1.9820 -0.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9150 -0.4770 -0.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3850 -0.6260 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4800 1.8290 0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4610 4.2920 -0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2840 6.7310 -0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2480 7.6140 -0.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1030 7.7040 0.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8980 8.9880 0.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8460 8.8490 -1.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9950 7.5190 -1.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7030 9.0030 -0.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5540 10.3430 -0.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4480 10.2160 -3.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5760 8.8620 -3.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3110 10.3140 -2.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1840 11.6750 -2.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0100 11.8930 -4.0840 O 0 5 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 32 1 0 0 0 0 2 3 2 0 0 0 0 2 33 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 34 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 9 10 2 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 19 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 20 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 25 26 2 0 0 0 0 25 49 1 0 0 0 0 27 28 2 0 0 0 0 27 29 2 0 0 0 0 27 30 1 0 0 0 0 30 31 1 0 0 0 0 M CHG 1 30 -1 M CHG 1 49 -1 M END