IBS-ZINC00235502 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 31 0 0 1 0 0 0 0 0999 V2000 0.4450 1.0870 -0.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.2320 -0.2390 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4410 -1.0170 -0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6450 -0.3720 1.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3450 -1.7460 1.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1380 -2.1450 1.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6460 -1.9650 0.2580 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9580 -2.5360 -0.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4170 -0.5250 -0.1010 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3910 0.4740 -0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1630 1.6260 -0.5240 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7890 0.1350 0.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6130 1.3980 0.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2550 0.9910 1.2490 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.6050 0.1310 0.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9900 -2.6410 -0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6480 -3.1130 0.8700 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5300 1.1010 -1.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0290 1.2180 -1.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2070 1.9500 -0.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7300 -0.2270 1.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2410 0.4070 1.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9480 -2.5050 1.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6600 -1.7520 2.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2550 -3.1840 2.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7240 -1.5220 2.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2870 -0.4670 -0.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7090 -0.4240 1.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1110 2.0670 1.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7530 1.9500 -0.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2740 -2.6480 -1.3340 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 4 5 1 0 0 0 0 4 21 1 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 16 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 16 17 2 0 0 0 0 16 31 1 0 0 0 0 M CHG 1 31 -1 M END