IFLAB-ZINC02455813 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 39 0 0 1 0 0 0 0 0999 V2000 -0.5390 0.9690 -1.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4020 -0.3290 -1.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7490 -1.0660 -1.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7710 -0.5120 -0.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6260 0.7990 -0.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4740 1.5340 -0.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0280 -1.2980 -0.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0260 -1.1190 -1.5240 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9350 -0.0830 -1.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0190 0.7350 -0.5660 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7890 -0.0220 -2.7370 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8410 0.0270 -2.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4470 -1.5740 -3.6070 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0940 -1.9730 -2.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3550 -2.9170 -2.8250 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3890 1.1400 -3.5140 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9300 1.4950 -4.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1270 0.9660 -5.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5630 1.2510 -6.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8060 2.0740 -7.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6260 2.6360 -6.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1970 2.3500 -5.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2390 2.3270 -8.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3410 1.8150 -9.1590 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.4340 1.5420 -1.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1890 -0.7680 -2.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8440 -2.0760 -1.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4120 1.2590 0.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3700 2.5490 -0.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4460 -0.9830 0.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7810 -2.3630 -0.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6610 1.7380 -3.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7430 0.3070 -4.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4890 0.8100 -6.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0230 3.2830 -7.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2570 2.7750 -5.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4660 3.0330 -9.5080 O 0 0 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 25 1 0 0 0 0 2 3 2 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 27 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 28 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 33 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 23 24 1 0 0 0 0 23 37 2 0 0 0 0 M CHG 1 24 -1 M END