IFLAB-ZINC00075238 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 0 0 1 0 0 0 0 0999 V2000 2.4410 0.7620 0.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2810 -0.0590 0.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2370 -0.5620 1.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6060 -1.2460 0.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1030 -1.1710 -0.9780 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0760 -0.4170 -0.9240 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6660 -1.7420 -2.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5680 -1.0890 -3.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1230 -1.6550 -4.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7780 -2.8700 -4.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8780 -3.5230 -3.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3200 -2.9650 -2.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7440 -1.8860 0.6570 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0770 -0.3810 2.5880 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9620 0.1120 2.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0940 -1.7480 3.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1350 -2.5280 3.0890 N 0 3 0 0 0 0 0 0 0 0 0 0 2.2180 -2.0080 3.2870 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0730 -3.6980 2.7540 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.1380 0.4680 2.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9900 1.8060 3.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1050 2.5840 3.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3670 2.0230 3.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5150 0.6850 3.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4000 -0.0920 2.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2590 0.0990 1.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7770 1.4350 0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1280 1.3440 1.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0570 -0.1400 -3.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0460 -1.1480 -5.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2120 -3.3100 -5.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3900 -4.4720 -3.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3950 -3.4770 -1.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5470 -1.3610 0.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2980 -1.6120 4.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -2.2760 2.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 2.2440 3.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9900 3.6300 3.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2380 2.6310 3.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5010 0.2470 3.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5160 -1.1360 2.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 6 2 0 0 0 0 3 4 2 0 0 0 0 3 14 1 0 0 0 0 4 5 1 0 0 0 0 4 13 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 10 11 2 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 2 0 0 0 0 17 19 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 41 1 0 0 0 0 M CHG 1 17 1 M CHG 1 19 -1 M END