IBS-ZINC04956901 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 45 0 0 1 0 0 0 0 0999 V2000 -0.7680 1.3670 -1.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4310 -0.0350 -1.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7130 -0.7320 -0.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3760 -2.1340 -0.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6580 -2.8310 0.1490 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.3850 -2.8270 -0.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3450 -4.2530 0.5370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9320 -5.1670 0.0070 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3420 -1.9530 1.5760 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.9080 -2.7500 1.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7080 -2.4560 2.7300 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.9120 -3.0480 2.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3170 -3.9740 1.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4600 -4.2580 0.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2700 -3.6290 0.7680 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.8160 -5.1440 -0.1010 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6560 -4.6560 2.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6700 -3.9050 1.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8670 -4.2400 -0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7970 -3.5520 -0.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5310 -2.5290 -0.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3350 -2.1940 0.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4080 -2.8860 1.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7100 -2.7490 3.8890 O 0 5 0 0 0 0 0 0 0 0 0 0 0.1450 1.8640 -2.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4620 1.2920 -2.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2280 1.9450 -0.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 -0.6130 -2.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2630 0.0400 -0.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1720 -0.1540 -0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4060 -0.8070 -1.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9160 -2.7120 -1.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6820 -2.0590 0.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4190 -1.8100 3.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5740 -5.6780 1.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9740 -4.6680 3.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2940 -5.0400 -0.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9500 -3.8140 -1.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2570 -1.9910 -0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9080 -1.3950 1.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2580 -2.6270 2.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6700 -3.8200 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4140 -4.5050 1.4700 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2480 -5.4330 1.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 43 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 12 13 2 0 0 0 0 12 24 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 15 42 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 23 2 0 0 0 0 19 20 2 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 43 44 1 0 0 0 0 M CHG 1 11 1 M CHG 1 24 -1 M END