IBS-ZINC05429075 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0210 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7300 -0.5030 1.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0970 -0.3650 2.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7160 -0.7920 3.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9830 -1.3640 3.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6060 -1.5040 2.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9790 -1.0780 1.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7100 -1.2890 -0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1540 -0.3750 -1.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6870 -0.4760 -1.2060 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1580 -1.0990 -2.4870 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7480 -1.9330 -3.1970 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3950 -1.5630 -1.9640 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 0.2440 -3.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 0.2920 -4.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3040 1.3460 -5.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1490 2.3530 -5.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6930 2.3070 -3.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3950 1.2490 -3.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9300 1.2000 -1.8940 F 0 0 0 0 0 0 0 0 0 0 0 0 2.6040 -1.7850 4.6810 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -2.3620 4.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 -0.6540 4.8140 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2080 -0.0570 4.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8850 0.0810 2.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5890 -1.9470 2.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7680 -1.0720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5970 -2.3270 -0.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4570 0.6550 -1.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5270 -0.6940 -2.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6600 -0.4930 -5.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1210 1.3820 -6.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3850 3.1760 -5.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3530 3.0940 -3.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5760 -1.6320 4.0840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2840 -2.6540 5.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8390 -3.2410 3.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5930 -0.0070 5.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1420 0.9490 4.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8800 -0.6590 4.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 12 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 25 1 0 0 0 0 7 8 2 0 0 0 0 7 23 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 2 0 0 0 0 13 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 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 23 24 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 M END