IBS-ZINC01274402 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 38 0 0 1 0 0 0 0 0999 V2000 -0.0620 1.4970 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0140 -0.0320 0.0040 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8330 -0.5400 1.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9390 -2.0650 1.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5060 -2.4350 -0.1650 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7320 -2.0270 -1.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6170 -0.5010 -1.3100 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6090 -0.0620 -1.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2630 -0.0660 -2.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3830 -0.7770 -4.0180 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7850 -0.1320 -5.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7660 -0.3540 -6.4400 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7310 0.2110 -7.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9280 0.1230 -8.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9790 0.7740 -9.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8630 1.5280 -8.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6900 1.6280 -7.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6290 0.9740 -6.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1460 0.8980 -4.7480 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.9500 -0.6430 -2.2170 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.2560 1.7330 -2.6060 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.3410 -0.5530 0.1130 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8820 1.8970 -0.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8790 1.8470 -0.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2210 1.8380 1.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8290 -0.1010 1.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3610 -0.2570 2.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5770 -2.4280 1.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0540 -2.5040 1.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2190 -2.3640 -2.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2640 -2.4660 -1.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2480 -0.4610 -9.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1180 0.6990 -10.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6860 2.0370 -8.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3790 2.2160 -6.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7990 -0.2970 0.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 19 1 0 0 0 0 12 13 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 32 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 16 17 2 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 18 19 1 0 0 0 0 22 36 1 0 0 0 0 M END