IFLAB-ZINC02457106 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 40 0 0 1 0 0 0 0 0999 V2000 -0.2140 1.7230 0.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1770 0.1960 0.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5230 -0.3840 0.2280 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4520 0.1810 1.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5130 1.7140 1.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0950 3.8240 1.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3050 4.2130 2.7160 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.3530 4.0560 2.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8700 5.6460 2.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2760 6.0460 4.6820 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.7330 6.1120 4.6460 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7260 4.8750 5.3760 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5170 3.2740 3.4900 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4990 3.6630 4.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8140 -1.4040 -0.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9840 -1.7960 -1.5010 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2120 -1.9990 -0.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4120 -3.1750 -1.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8130 -3.7860 -1.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6740 -3.1220 -0.8480 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7870 2.1420 0.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6170 2.0440 -0.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4470 -0.2140 -0.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2830 -0.0960 1.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4600 -0.2200 1.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0870 -0.1230 2.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9470 2.0380 0.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0950 2.1230 1.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8570 4.2200 0.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1010 4.1370 0.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2160 5.7510 2.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3680 6.3690 2.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3970 -2.3350 0.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9260 -1.2030 -0.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2380 -2.8540 -2.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6780 -3.9590 -1.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1140 2.3030 1.2000 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.7140 2.0630 2.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5840 7.3080 4.9120 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.9350 -4.8900 -2.0930 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 37 1 0 0 0 0 2 3 1 0 0 0 0 2 23 1 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 15 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 4 26 1 0 0 0 0 5 27 1 0 0 0 0 5 28 1 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 6 30 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 11 2 0 0 0 0 10 12 2 0 0 0 0 10 39 1 0 0 0 0 13 14 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 20 2 0 0 0 0 19 40 1 0 0 0 0 37 38 1 0 0 0 0 M CHG 1 37 1 M CHG 1 39 -1 M CHG 1 40 -1 M END