IFLAB-ZINC04139291 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 51 0 0 1 0 0 0 0 0999 V2000 -0.2070 1.4530 0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2380 -0.0410 0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1300 -0.8020 0.8490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1830 -2.1890 0.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3440 -2.8290 -0.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5260 -2.0740 -1.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5760 -0.6860 -0.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4490 -4.2960 -0.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5150 -4.8630 -0.1310 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6950 -4.9730 -0.7300 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6760 -6.4210 -0.9600 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1980 -6.8340 -0.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1110 -6.9510 -0.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2150 -6.8180 -2.1980 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2390 -6.4780 -1.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 -6.1180 -3.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2690 -4.9610 -4.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4020 -4.5750 -5.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4090 -5.4520 -5.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5380 -6.7340 -4.4240 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4360 -8.6660 -3.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5290 -10.1790 -3.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8630 -10.8240 -2.4000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8620 -10.5950 -1.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7140 -9.1030 -1.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7920 1.8440 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9240 1.9060 -0.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4560 1.7580 1.2400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7900 -0.3190 1.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8820 -2.7640 1.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 -2.5340 -1.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2510 -0.1040 -1.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5680 -4.4700 -0.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7260 -6.4270 -1.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5900 -6.7860 -0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1520 -8.0230 -1.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0940 -4.4060 -3.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1590 -3.6980 -5.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0750 -5.4010 -6.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1570 -8.1830 -4.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3800 -8.2550 -3.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3180 -10.4110 -4.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5900 -10.5920 -4.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1650 -11.1270 -0.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0890 -11.0270 -1.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6480 -8.6750 -0.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0960 -8.9610 -0.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3670 -8.3430 -2.3810 N 0 3 0 0 0 0 0 0 0 0 0 0 0.5340 -8.6860 -2.7380 H 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 8 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 32 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 48 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 48 49 1 0 0 0 0 M CHG 1 48 1 M END