IFLAB-ZINC04271889 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 1 0 0 0 0 0999 V2000 -0.3850 1.5080 0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5300 0.3150 -0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4160 0.0660 1.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2860 -1.0190 0.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2790 -1.8680 -0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4020 -1.6290 -1.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5140 -0.5410 -1.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3620 -0.2950 -2.2260 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5240 -1.1050 -3.4210 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4390 -1.3630 -3.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3160 -0.3320 -4.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1150 0.8510 -4.7350 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2820 -1.1210 -5.0600 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5080 -2.3550 -4.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3040 -3.1990 -4.8950 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4990 -2.5950 -3.1080 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.0460 -0.6470 -6.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2810 -0.8260 -7.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2780 -2.0600 -8.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5470 -2.2270 -9.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8000 -1.1700 -9.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8030 0.0600 -9.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5300 0.2300 -8.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0120 -1.3540 -11.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 -2.5200 -11.6650 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.1810 2.2130 -0.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4320 1.1880 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2470 2.0460 0.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4310 0.7230 1.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9640 -1.2020 1.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9530 -2.7200 -0.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4350 -2.3250 -2.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9400 0.5370 -2.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0000 -1.1840 -6.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2860 0.4130 -6.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8420 -2.9020 -7.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5570 -3.1930 -9.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2280 0.8940 -9.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4970 1.1940 -7.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5720 -0.3300 -11.6380 O 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 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 5 6 2 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 16 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 17 1 0 0 0 0 14 15 2 0 0 0 0 14 16 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 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 24 40 2 0 0 0 0 M CHG 1 25 -1 M END