IFLAB-ZINC04148405 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 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 0 0 0 0 0 0 0 0 0 0 -1.3600 -0.5070 0.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5180 -1.8400 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 -2.5620 -0.0060 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9020 -2.4340 0.0170 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.4490 -2.1020 -0.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8030 -3.9630 0.0120 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.2130 -4.2940 0.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2140 -4.5520 0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8900 -4.0410 1.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5900 -2.8290 1.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6330 -1.9910 1.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3920 -0.9040 1.7430 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8950 -4.8790 2.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0970 -5.1890 1.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0370 -5.9750 2.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7970 -6.4600 3.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6070 -6.1580 3.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6520 -5.3740 3.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3720 -6.6510 5.2180 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7100 -8.2320 5.5740 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.3760 -8.3620 6.9490 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0450 -8.4160 5.1240 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5560 -9.1830 4.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1460 -4.4220 -1.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9680 -5.1430 -1.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3640 -5.5640 -2.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9400 -5.2650 -3.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1190 -4.5450 -3.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7240 -4.1270 -2.4850 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 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7910 -4.2530 -0.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1520 -5.6390 0.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0980 -2.4930 2.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2880 -4.8120 0.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9630 -6.2130 1.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5380 -7.0740 3.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7250 -5.1430 3.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0120 -6.0660 5.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5320 -8.9170 4.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7090 -10.2490 4.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7330 -8.9560 3.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5180 -5.3770 -0.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5570 -6.1270 -2.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4680 -5.5930 -4.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5680 -4.3100 -4.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6470 -3.5680 -2.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 13 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 26 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 39 1 0 0 0 0 13 14 2 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 18 19 2 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 23 2 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 28 49 1 0 0 0 0 29 30 2 0 0 0 0 29 50 1 0 0 0 0 30 31 1 0 0 0 0 30 51 1 0 0 0 0 31 52 1 0 0 0 0 M END