IBS-ZINC00057470 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 31 0 0 1 0 0 0 0 0999 V2000 0.0030 1.6720 -0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 2.1490 0.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3180 1.3560 0.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3330 0.0660 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1530 -0.3870 -0.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 0.4060 -0.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5210 -0.7270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7960 -0.1750 -0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1140 1.0070 -0.1290 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8320 -1.2940 -0.0380 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4190 -1.2310 0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9680 -2.4410 0.0380 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6240 -2.1080 0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4880 -3.3080 0.2920 S 0 0 0 0 0 0 0 0 0 0 0 0 6.6890 -1.2430 -1.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9250 -2.5840 -1.2980 S 0 0 0 0 0 0 0 0 0 0 0 0 8.7250 -2.2080 -2.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7650 -3.3110 -3.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3260 -4.3690 -3.6510 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8930 2.2870 -0.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1810 3.1380 0.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1940 1.7640 1.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1090 -1.3410 -1.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8990 0.0320 -1.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3040 -3.3990 0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0650 -1.3410 -2.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2160 -0.2850 -1.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9860 -2.2190 -3.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2020 -1.2250 -2.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9510 -3.0100 -2.7890 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 20 1 0 0 0 0 2 3 2 0 0 0 0 2 21 1 0 0 0 0 3 4 1 0 0 0 0 3 22 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 23 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 12 13 1 0 0 0 0 12 25 1 0 0 0 0 13 14 2 0 0 0 0 15 16 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 28 1 0 0 0 0 17 29 1 0 0 0 0 18 19 2 0 0 0 0 18 30 1 0 0 0 0 M CHG 1 30 -1 M END