IFLAB-ZINC00387282 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 1 0 0 0 0 0999 V2000 1.4990 1.2410 1.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0970 -0.1470 1.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8090 -1.1070 2.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4400 -2.3800 2.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3590 -2.6930 0.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6460 -1.7330 -0.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0110 -0.4580 0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0420 -4.0810 0.3580 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2280 -4.6940 1.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3150 -4.0070 -0.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7510 -5.3620 -0.8350 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.7620 -6.2350 0.0140 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1020 -5.6160 -1.9730 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0830 -4.7060 -0.4690 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4060 -4.5930 0.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1880 -3.8800 -0.4840 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0110 -2.9250 -2.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5780 -3.4660 -1.6650 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3070 -3.9180 -1.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5130 -3.7340 -2.6450 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7380 -5.1840 1.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8290 -6.0280 2.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1460 -6.5780 3.4340 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3630 -6.2960 4.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2710 -5.4620 3.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9710 -4.9060 2.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8650 -4.0900 1.5590 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5820 1.2880 2.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1800 1.9600 1.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0260 1.4800 2.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8720 -0.8620 3.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2150 -3.1300 2.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5830 -1.9780 -1.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2320 0.2930 -0.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1000 -3.5070 0.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1140 -3.4450 -1.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8580 -5.7480 -0.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8780 -6.2500 1.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4430 -7.2310 3.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6030 -6.7300 4.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2180 -5.2460 3.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7670 -3.1560 1.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 10 11 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 14 15 1 0 0 0 0 14 19 1 0 0 0 0 14 37 1 0 0 0 0 15 16 2 0 0 0 0 15 21 1 0 0 0 0 16 18 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 24 25 2 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 26 27 1 0 0 0 0 27 42 1 0 0 0 0 M CHG 1 11 1 M CHG 1 13 -1 M END