IFLAB-ZINC01871319 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 0 0 1 0 0 0 0 0999 V2000 0.1830 1.4240 0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0830 0.0350 0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2240 -0.7710 0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4680 -0.1320 0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6030 1.2560 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4350 2.0470 0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0030 1.5500 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 0.3390 -0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7360 -0.6620 0.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9480 -1.6500 0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6380 2.9080 -0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5430 3.6440 1.2850 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5150 3.6950 1.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1070 5.0590 1.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3040 5.2100 1.4150 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4740 3.0200 2.2970 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9410 2.9030 3.8920 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0600 2.5320 4.7300 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1360 4.0620 4.2160 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8670 1.4980 3.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4850 1.7250 3.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5960 0.6470 3.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0770 -0.6610 3.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4490 -0.9000 3.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3360 0.1850 3.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7460 -0.1350 3.9160 N 0 3 0 0 0 0 0 0 0 0 0 0 6.1590 -0.6450 4.9670 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4090 0.0390 2.8880 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.7160 2.0330 0.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8980 -0.4300 0.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1440 -1.8520 0.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5030 3.1310 0.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7240 0.1120 -0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6890 2.8080 -0.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1490 3.4910 -0.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3690 3.5560 2.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0830 2.7360 3.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5250 0.8300 3.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3790 -1.4930 3.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8140 -1.9240 3.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3260 5.8600 0.4300 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 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 14 15 2 0 0 0 0 14 41 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 18 2 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 23 24 2 0 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 M CHG 1 26 1 M CHG 1 28 -1 M CHG 1 41 -1 M END