IFLAB-ZINC04249086 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 45 0 0 0 0 0 0 0 0999 V2000 -0.0780 1.5770 0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2560 0.1890 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8330 -0.6520 -0.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1030 -0.0820 -0.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2810 1.3050 -0.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1910 2.1550 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3340 3.5990 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5150 4.3190 -0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 5.6040 0.0610 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7870 5.6300 0.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 4.4410 0.2600 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1660 7.2220 0.4370 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7740 7.9630 -0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8320 6.8620 0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -2.0570 -0.2900 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4060 -2.8260 -0.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5630 -2.4320 -0.1410 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1660 -4.2880 -0.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0440 -5.0920 -0.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8330 -6.4680 -1.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2520 -7.0260 -0.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1160 -6.2370 0.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9040 -4.8610 0.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5210 -8.8100 -0.4470 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1770 -9.0920 0.8270 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8390 -9.3280 -0.5600 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4350 -9.0430 -1.7270 N 0 5 0 0 0 0 0 0 0 0 0 0 2.3130 -8.6070 -1.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9490 2.2060 0.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2610 -0.2010 0.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9750 -0.7090 -0.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2860 1.6990 -0.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5420 4.0370 -0.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6850 8.2730 -1.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0130 8.8420 0.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3570 6.9330 1.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5570 6.8790 -0.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6180 -2.5460 -0.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8860 -4.6500 -1.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5050 -7.0970 -1.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9430 -6.6900 0.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5640 -4.2570 1.0790 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 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 15 1 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 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 9 14 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 24 25 2 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 27 28 1 0 0 0 0 M CHG 1 27 -1 M END