IFLAB-ZINC04497029 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 1 0 0 0 0 0999 V2000 0.9040 1.9680 -0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7790 0.4660 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7550 -0.2000 1.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6410 -1.5760 1.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5510 -2.2910 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5740 -1.6190 -1.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6840 -0.2420 -1.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7040 0.4880 -2.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4360 -3.6850 0.0420 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5240 -4.4990 1.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7790 -5.9430 0.7740 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2610 -6.6640 1.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1680 -5.9100 -0.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2240 -4.4510 -1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -4.0330 -2.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2140 -6.2320 0.7210 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6490 -7.5040 0.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8510 -8.4110 0.9550 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0980 -7.7960 0.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0170 -6.7570 0.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3670 -7.0360 0.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8100 -8.3430 0.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9040 -9.3780 0.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5520 -9.1110 0.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3880 -10.7720 0.9280 N 0 3 0 0 0 0 0 0 0 0 0 0 5.7540 -11.6780 0.4160 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4190 -11.0150 1.5290 O 0 5 0 0 0 0 0 0 0 0 0 0 8.2870 -8.6410 0.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9570 2.2440 -0.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3970 2.3560 -0.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4460 2.3880 0.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8260 0.3560 2.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6230 -2.0960 2.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5040 -2.1720 -2.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7330 0.5780 -2.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1200 -0.0680 -3.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2760 1.4820 -2.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3520 -4.1580 1.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4120 -4.4480 1.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7600 -6.5170 -1.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -6.2550 -0.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8510 -5.5090 0.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6720 -5.7370 0.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0790 -6.2340 0.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8460 -9.9190 1.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6810 -8.7120 1.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4480 -9.5860 0.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7990 -7.8410 0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 15 2 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 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 28 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 45 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END