IFLAB-ZINC04263422 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 53 0 0 0 0 0 0 0 0999 V2000 2.3010 1.3450 -0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3070 -0.0090 0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2040 -0.6170 0.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0810 0.1430 1.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0670 1.5010 0.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1800 2.1140 0.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 3.5570 0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0090 4.2240 -0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2220 5.6720 -0.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6980 6.4680 -0.2120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4890 6.0450 -0.2580 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4520 5.1180 -0.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1400 5.3980 -0.3060 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.6480 3.5440 -0.0960 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.8340 7.4650 -0.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9040 7.8580 -1.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2640 9.3410 -1.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3330 9.7290 -3.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1150 8.9010 -4.2770 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6360 10.9950 -3.7640 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7070 11.3880 -5.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0660 12.0460 -5.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2670 13.2000 -4.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2600 12.6600 -3.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9090 12.0080 -2.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8540 -0.6830 1.6700 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1400 -1.8750 2.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9670 -1.9150 1.1260 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1630 1.8140 -0.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1730 -0.6010 -0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8010 2.0900 1.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1020 4.0890 -0.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8020 7.6410 0.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0730 8.0640 0.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9360 7.6820 -2.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6640 7.2590 -2.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2320 9.5170 -1.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5030 9.9400 -1.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9090 12.0970 -5.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6010 10.5060 -5.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0940 12.4280 -6.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8580 11.3100 -5.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4610 13.9240 -4.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2220 13.6860 -4.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4270 13.4790 -2.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0510 11.9180 -2.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9360 11.5330 -1.7530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1280 12.7680 -2.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2180 -1.7990 3.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7710 -2.7540 1.9240 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 28 1 0 0 0 0 4 5 2 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 15 16 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 M END