IFLAB-ZINC02697416 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 38 0 0 1 0 0 0 0 0999 V2000 -0.0170 1.3780 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 1.2080 -0.6790 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 0.0280 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3770 1.4110 -0.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 2.0860 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 3.5920 0.0100 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2180 3.9410 0.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2560 4.1120 -1.4250 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3690 3.8140 -1.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3600 5.6380 -1.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4550 6.0320 -0.5790 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4480 3.5470 -2.0620 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5020 3.4290 -3.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5640 3.7900 -4.0830 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7280 2.8480 -4.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5330 2.8260 -5.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7600 2.2460 -6.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6940 1.8860 -5.5560 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2550 4.0800 0.7750 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2280 -2.1590 -0.0200 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1820 -2.7820 -0.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2910 -2.7540 -0.0340 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9590 1.9050 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -0.5570 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3380 -0.4990 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3050 1.9630 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5240 6.0020 -2.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4360 6.0620 -1.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5810 6.9880 -0.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1980 3.2590 -1.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5960 3.4600 -3.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8870 1.8320 -3.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6650 2.2140 -5.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3750 3.8430 -5.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1190 3.8080 0.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8140 2.1280 -7.5690 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6210 1.7500 -7.9440 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 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 21 1 0 0 0 0 4 5 2 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 20 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 11 12 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 31 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 32 1 0 0 0 0 16 33 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 19 2 0 0 0 0 18 37 1 0 0 0 0 20 36 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 37 38 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END