IFLAB-ZINC04248697 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 51 0 0 0 0 0 0 0 0999 V2000 -0.0270 1.4100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 -0.0180 0.0010 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6200 -0.6270 1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2060 0.1380 2.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8450 -0.4770 3.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9030 -1.8610 3.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3160 -2.6300 2.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6700 -2.0110 1.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3710 -3.9870 2.2280 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7470 -4.7120 1.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5530 -2.4860 4.2430 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1740 -2.4440 5.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0690 -3.1730 6.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9780 -3.6550 5.3900 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6770 -3.2550 4.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5750 -3.6430 2.7110 S 0 0 0 0 0 0 0 0 0 0 0 0 5.8910 -4.6690 3.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8100 -5.1300 2.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5960 -4.7970 1.1620 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8690 -5.9110 2.5970 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6670 -6.4190 1.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8960 -5.6570 0.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6830 -6.1560 -0.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2440 -7.4180 -0.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0160 -8.1840 0.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2330 -7.6810 1.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6720 -9.3740 0.5180 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6360 -9.1650 -0.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0440 -8.1280 -1.3370 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9950 1.7870 -0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5580 1.7660 -0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5340 1.7680 0.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1620 1.2160 1.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3000 0.1200 3.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2100 -2.6060 0.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3130 -4.4640 1.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2150 -4.4440 0.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8650 -5.7820 1.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3200 -1.9230 5.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0600 -3.3430 7.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4580 -4.0870 4.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4520 -5.5370 3.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0790 -6.1230 3.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4590 -4.6730 0.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8590 -5.5610 -1.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0590 -8.2720 2.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5870 -8.8320 -0.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7680 -10.0750 -1.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 10 38 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 39 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 17 42 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 43 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 24 25 2 0 0 0 0 24 29 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 M END