IFLAB-ZINC02700449 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 42 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 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 0.7180 -0.4980 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 -2.0270 -1.2650 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1870 -2.3900 -0.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5500 -2.5120 -2.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6850 -1.7650 -3.4820 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5760 -2.2980 -4.7730 S 0 0 0 0 0 0 0 0 0 0 0 0 3.9210 -2.3830 -4.3240 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8680 -3.4010 -5.3210 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5380 -1.0270 -5.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5070 -0.0410 -5.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4770 0.9560 -6.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4790 0.9660 -7.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5110 -0.0200 -7.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5430 -1.0200 -6.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1330 -3.7280 -2.4000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6310 -2.5340 -1.3750 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.1110 -3.3020 -0.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3990 -3.7990 -0.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1880 -3.4780 -1.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6500 -2.6670 -2.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3550 -2.2040 -2.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 -0.1360 -2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7410 -0.1200 -1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2860 -0.0490 -5.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2330 1.7270 -6.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4550 1.7460 -8.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7310 -0.0120 -8.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7890 -1.7930 -6.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6320 -3.9510 -3.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4890 -3.5480 0.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7850 -4.4280 0.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1980 -3.8520 -1.6620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2360 -2.3970 -3.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9300 -1.5690 -3.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 18 1 0 0 0 0 6 7 2 0 0 0 0 6 17 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 14 15 2 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 16 35 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 M CHG 1 18 1 M END