IFLAB-ZINC02709626 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 0 0 0 0 0 0999 V2000 -0.3950 0.4660 2.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7310 -0.8970 1.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -1.7750 2.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7860 -3.0640 1.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4710 -3.4920 0.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7660 -2.5980 -0.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -1.3080 0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4660 -0.3660 -0.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4230 -3.1360 -2.0060 S 0 0 0 0 0 0 0 0 0 0 0 0 0.3540 -2.1400 -2.7130 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0730 -4.4990 -1.9450 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9680 -3.1800 -2.7150 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8440 -2.0540 -2.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4930 -0.8040 -3.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3630 0.2870 -2.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5940 0.1330 -2.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9280 -1.1340 -1.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0710 -2.2230 -1.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1350 -1.3170 -1.2000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5720 1.2640 -2.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6510 0.9240 -1.5670 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.8330 -4.9040 0.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5180 -3.9370 2.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6880 0.5700 2.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7770 1.2520 1.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8510 0.6290 2.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7050 -1.4480 3.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3990 -0.8490 -1.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1080 -0.0210 -1.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7810 0.5350 -0.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3990 -4.1050 -2.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5490 -0.6660 -3.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0820 1.2570 -3.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3680 -3.1810 -1.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5870 -0.4050 -1.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2720 -4.9520 -0.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9470 -5.5440 0.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5930 -5.3490 0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5410 -4.1240 2.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9910 -4.8860 2.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5850 -3.4660 3.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2690 2.4100 -2.6180 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 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 27 1 0 0 0 0 4 5 1 0 0 0 0 4 23 1 0 0 0 0 5 6 2 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 32 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 42 2 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 M CHG 1 21 -1 M END