IFLAB-ZINC05257948 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 51 0 0 1 0 0 0 0 0999 V2000 0.0170 1.4770 0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0360 -0.0300 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 -0.7330 1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 -2.1160 1.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0700 -2.7990 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0430 -2.0960 -1.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0210 -0.7070 -1.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 -2.7850 -2.4000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0530 -4.2490 -2.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -4.7470 -3.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -6.7310 -5.2470 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5650 -6.0780 -5.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5490 -8.1420 -5.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9960 -8.0830 -4.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5040 -7.0170 -4.5610 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7260 -9.2140 -4.7760 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0390 -9.1740 -4.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8420 -8.0710 -4.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1380 -8.0330 -4.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6360 -9.0930 -3.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8400 -10.1920 -3.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5450 -10.2380 -3.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3780 -11.3240 -2.2950 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.5210 -11.2860 -1.8780 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6770 -12.2930 -2.0640 O 0 5 0 0 0 0 0 0 0 0 0 0 1.4510 -6.7730 -5.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3720 -6.4110 -5.0890 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0400 1.8530 0.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5150 1.8430 -0.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4880 1.8240 0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0700 -0.2010 2.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1010 -2.6620 2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0840 -3.8790 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 -0.1580 -2.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 -2.2930 -3.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9550 -4.6060 -1.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 -4.6280 -1.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8640 -4.3910 -4.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9150 -4.3680 -4.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4780 -8.5580 -6.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 -8.7730 -4.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3400 -10.0570 -5.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4530 -7.2430 -5.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7620 -7.1760 -4.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6500 -9.0610 -2.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9240 -11.0990 -3.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 -6.2160 -3.8720 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 -6.5720 -3.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6820 -7.2120 -7.0290 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6020 -7.2210 -7.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 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 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 2 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 10 47 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 26 1 0 0 0 0 11 47 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 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 20 21 2 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 46 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 26 27 2 0 0 0 0 26 49 1 0 0 0 0 47 48 1 0 0 0 0 49 50 1 0 0 0 0 M CHG 1 23 1 M CHG 1 25 -1 M END