IFLAB-ZINC04275680 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 30 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.4480 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1910 -0.6330 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2200 0.0160 0.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2480 -2.0960 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0750 -2.9430 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3660 -4.2360 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1020 -4.4850 -0.0010 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.4190 -2.8110 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6850 -2.2490 0.0370 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7740 -3.0420 0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6460 -4.2510 0.0390 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1240 -2.4430 0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2750 -1.0540 0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5380 -0.5010 0.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6560 -1.3180 0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5170 -2.6930 0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2570 -3.2630 0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1210 -4.6070 0.0620 F 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8250 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5450 1.8090 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7990 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9350 -2.5600 -0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3670 -5.0290 -0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7870 -1.2840 0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4050 -0.4150 0.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6550 0.5720 0.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6420 -0.8780 0.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3930 -3.3240 0.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 9 2 0 0 0 0 6 7 2 0 0 0 0 6 23 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 25 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 18 2 0 0 0 0 14 15 2 0 0 0 0 14 26 1 0 0 0 0 15 16 1 0 0 0 0 15 27 1 0 0 0 0 16 17 2 0 0 0 0 16 28 1 0 0 0 0 17 18 1 0 0 0 0 17 29 1 0 0 0 0 18 19 1 0 0 0 0 M END