IFLAB-ZINC05144938 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0220 -0.7400 1.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.4500 0.7120 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -2.1430 -0.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 -0.7940 -1.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 -0.2150 -2.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0110 0.0410 -3.1300 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2110 0.0360 -3.1580 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2390 0.6150 -4.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 -3.1220 -1.9440 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0490 -4.4240 -1.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 -4.7390 -0.4210 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 -5.4580 -2.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0750 -6.7610 -2.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0810 -7.8010 -3.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 -7.4420 -4.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0700 -8.4220 -5.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0910 -9.7580 -5.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1070 -10.1210 -3.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1090 -9.1520 -2.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1280 -11.5530 -3.5740 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1320 -12.4100 -4.4400 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1430 -11.8740 -2.3990 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0280 -0.1830 2.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0420 -0.1680 -2.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7380 1.5830 -4.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7250 -0.0520 -5.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2730 0.7440 -4.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.8700 -2.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -5.1780 -3.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0880 -7.0410 -1.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 -6.4000 -4.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0570 -8.1470 -6.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0940 -10.5210 -6.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1260 -9.4370 -1.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9990 -0.0620 2.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5570 -0.8690 3.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 0.7850 2.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 39 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M END