IFLAB-ZINC01916913 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 42 0 0 0 0 0 0 0 0999 V2000 0.6720 1.5840 1.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2160 0.4200 0.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9950 -0.2410 -0.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2330 0.2580 -0.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7010 1.4340 0.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9070 2.0960 1.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0190 1.9730 -0.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 3.3120 -0.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4980 4.0290 -0.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5470 3.4530 -0.6270 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4090 5.3460 -0.3410 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2240 5.9160 -0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9050 7.5940 0.0270 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0440 4.6040 0.0640 S 0 0 0 0 0 0 0 0 0 0 0 0 6.6010 6.1760 -0.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7520 6.5200 -2.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9980 7.3870 -2.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1490 7.7310 -3.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3940 8.5980 -3.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5420 8.9370 -5.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7360 8.5270 -6.1550 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0640 -0.4510 -1.4430 N 0 3 0 0 0 0 0 0 0 0 0 0 2.7060 -1.5300 -1.8790 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1080 0.0460 -1.8280 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0560 2.0960 2.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7530 0.0240 1.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6320 -1.1490 -0.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2610 3.0050 1.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8190 1.3020 -0.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 7.0950 0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4820 5.6300 -0.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8540 5.6020 -2.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8720 7.0670 -2.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8960 8.3060 -1.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8780 6.8410 -1.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2500 6.8120 -4.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2680 8.2780 -4.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2920 9.5170 -3.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2740 8.0520 -3.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5720 9.6940 -5.7660 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6250 9.8840 -6.7130 H 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 22 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 28 1 0 0 0 0 7 8 2 0 0 0 0 7 29 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 15 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 15 16 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 40 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 40 41 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M END