IFLAB-ZINC04393630 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 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 0.7070 -0.4900 -1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0740 -0.7020 -1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7230 -1.1480 -2.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0020 -1.3830 -3.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6300 -1.1700 -3.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0140 -0.7290 -2.3930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6570 -1.8340 -4.6650 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0140 -2.1210 -5.9570 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5540 -1.2180 -6.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9520 -3.2200 -5.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9040 -4.7680 -6.0350 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6780 -5.0680 -4.8810 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 -5.7580 -6.6080 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9800 -4.0380 -7.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1710 -2.5750 -6.8560 C 0 0 3 0 0 0 0 0 0 0 0 0 3.2760 -1.9020 -7.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3520 -2.5000 -5.9810 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9720 -2.0690 -4.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 -1.9100 -3.8500 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 -2.8200 -6.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6960 -2.7080 -5.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9870 -3.0250 -5.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2510 -3.4540 -7.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2230 -3.5680 -8.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9290 -3.2580 -7.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6360 -3.7930 -7.4920 N 0 3 0 0 0 0 0 0 0 0 0 0 10.5420 -3.6930 -6.6840 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8700 -4.1710 -8.6260 O 0 5 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 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6340 -0.5180 -0.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7900 -1.3120 -2.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0670 -1.3520 -4.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0820 -0.5670 -2.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5470 -3.1900 -4.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1560 -3.1220 -6.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9370 -4.5580 -7.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4830 -4.0610 -8.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4900 -2.3720 -4.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7920 -2.9380 -5.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4330 -3.9040 -9.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1260 -3.3510 -8.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 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 36 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 38 1 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 9 20 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 17 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 12 41 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 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 20 21 2 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 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 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 27 47 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 M CHG 1 28 1 M CHG 1 30 -1 M END