IBS-ZINC05279775 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 39 0 0 1 0 0 0 0 0999 V2000 0.2310 1.9500 0.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0680 0.5770 0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1740 -0.2510 0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4440 0.2940 0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6080 1.6660 -0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5010 2.4940 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6510 -0.6090 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.3560 -1.6050 -0.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2420 -0.6910 1.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3630 -1.6980 1.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7180 -2.2240 0.3970 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6550 -0.0680 -0.9200 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5320 -0.2860 -2.2940 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5280 -1.1150 -2.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4100 -1.3280 -4.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2880 -0.7170 -5.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2880 0.1080 -4.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4090 0.3300 -3.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4750 1.2180 -2.6650 N 0 3 0 0 0 0 0 0 0 0 0 0 7.1760 1.8420 -3.4420 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6530 1.3260 -1.4640 O 0 5 0 0 0 0 0 0 0 0 0 0 4.1560 -0.9530 -6.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0810 -1.8160 -6.7400 F 0 0 0 0 0 0 0 0 0 0 0 0 3.9280 0.2670 -7.1460 F 0 0 0 0 0 0 0 0 0 0 0 0 5.3340 -1.5280 -6.9870 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.6340 2.5960 0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 0.1520 0.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0470 -1.3230 0.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6000 2.0920 -0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6280 3.5660 -0.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6280 0.2870 1.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4680 -0.9980 2.1110 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4050 0.4410 -0.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8420 -1.5920 -2.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6300 -1.9720 -4.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9720 0.5830 -5.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9680 -2.0110 2.5820 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6820 -2.6620 2.5420 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 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 11 2 0 0 0 0 10 37 1 0 0 0 0 12 13 1 0 0 0 0 12 33 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 34 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 16 17 2 0 0 0 0 16 22 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 37 38 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END