IFLAB-ZINC04280075 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 49 0 0 1 0 0 0 0 0999 V2000 0.2520 1.3750 0.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2700 -0.0060 0.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2150 -0.6800 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1390 0.0370 -0.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1150 1.4180 -0.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1730 2.0860 0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0990 2.1830 -1.5390 N 0 3 0 0 0 0 0 0 0 0 0 0 3.9290 1.5950 -2.2090 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0780 3.4010 -1.5260 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2370 -2.0790 -0.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0860 -2.7720 0.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9760 -2.1860 0.1020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1190 -4.2750 0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3100 -4.8100 0.3070 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8140 -4.3260 1.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2730 -6.2990 0.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8000 -7.0450 -0.2550 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4870 -4.4590 -0.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2110 -4.1590 -2.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4030 -4.0460 -3.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9050 -4.0400 -2.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2130 -2.9330 -1.8840 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5060 -2.9490 -0.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0000 -2.9440 -0.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4860 1.9000 1.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4490 -0.5620 1.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8750 -0.4840 -1.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 3.1660 0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0800 -2.5500 -0.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5940 -4.6920 -0.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6860 -4.5650 1.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7000 -3.6690 0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8320 -5.4140 -0.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8660 -3.2040 -2.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9980 -4.9490 -2.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1540 -4.9200 -3.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1360 -3.1400 -3.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4600 -3.9460 -3.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1810 -4.9700 -2.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7720 -2.0670 -0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7710 -3.8480 -0.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7260 -2.0210 -1.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4570 -3.0140 0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6550 -6.7960 1.6180 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0390 -4.5230 -0.9350 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7060 -3.6720 -1.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6580 -4.0950 -1.7660 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6570 -7.7580 1.7220 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 25 1 0 0 0 0 2 3 2 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 2 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 28 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 45 1 0 0 0 0 16 17 2 0 0 0 0 16 44 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 18 45 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 24 47 1 0 0 0 0 44 48 1 0 0 0 0 45 46 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M END