IBS-ZINC04956903 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 45 0 0 1 0 0 0 0 0999 V2000 -0.3310 1.7560 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1730 0.2340 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5550 -0.4220 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3960 -1.9440 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7780 -2.6000 0.0290 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.3450 -2.2290 0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6220 -4.0950 0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1710 -4.6940 1.0360 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6590 -2.1990 -1.5000 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.2680 -2.7910 -1.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2220 -2.7810 -2.0220 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.4620 -3.2280 -1.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7400 -3.7020 -0.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7230 -3.6990 0.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5020 -3.2440 0.1420 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9520 -4.1480 1.7280 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1160 -4.2070 -0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1590 -5.7040 -0.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8380 -6.5300 0.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8770 -7.9030 0.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2380 -8.4500 -0.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5600 -7.6250 -1.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5250 -6.2520 -1.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4170 -3.2140 -2.6810 O 0 5 0 0 0 0 0 0 0 0 0 0 0.6530 2.2240 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8950 2.0700 -0.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8640 2.0590 0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3600 -0.0680 -0.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3910 -0.0790 0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0880 -0.1190 0.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1190 -0.1090 -0.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8630 -2.2470 -0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8320 -2.2570 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0220 -2.4500 -2.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3450 -3.9520 0.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8510 -3.7460 -0.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5560 -6.1020 1.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6260 -8.5480 1.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2680 -9.5230 -0.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8420 -8.0530 -2.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7800 -5.6070 -2.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7870 -3.2420 0.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8750 -4.7610 -0.7520 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8040 -5.7190 -0.6390 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