IFLAB-ZINC04518943 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3780 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 -0.6790 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 0.0280 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4110 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9340 -0.8320 -0.0390 S 0 0 0 0 0 0 0 0 0 0 0 0 4.8490 0.0740 0.5610 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6410 -2.0850 0.5630 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3120 -1.0450 -1.8010 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4750 -0.0690 -2.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5750 -1.8950 -1.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6970 -1.2260 -1.2880 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9190 -1.7950 -1.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0900 -2.8630 -1.8460 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0510 -1.1190 -0.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3170 -1.7060 -0.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3700 -1.0700 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1710 0.1460 0.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9180 0.7330 0.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8590 0.1110 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3040 0.8220 1.3010 N 0 3 0 0 0 0 0 0 0 0 0 0 13.4090 0.3080 1.2970 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1330 1.8930 1.8560 O 0 5 0 0 0 0 0 0 0 0 0 0 3.1580 -1.7340 -2.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4330 -1.2330 -3.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4610 -2.2060 -3.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -3.2430 -2.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6830 -2.9530 -2.1830 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2230 -1.7590 -0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 1.9630 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 3.1650 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4130 -2.8710 -1.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8020 -2.0240 -3.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5600 -0.3730 -0.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4730 -2.6550 -1.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3500 -1.5220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7700 1.6820 1.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8820 0.5720 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5670 -0.2720 -3.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7100 -2.1310 -4.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0720 -4.1550 -2.9740 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 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 34 1 0 0 0 0 7 8 2 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 25 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 41 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 25 26 2 0 0 0 0 25 29 1 0 0 0 0 26 27 1 0 0 0 0 26 42 1 0 0 0 0 27 28 2 0 0 0 0 27 43 1 0 0 0 0 28 29 1 0 0 0 0 28 44 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M END