IFLAB-ZINC04139252 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 49 0 0 1 0 0 0 0 0999 V2000 -0.1200 0.9610 -1.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6450 -0.3100 -0.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7810 0.0460 0.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1100 -1.3140 -1.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3500 -2.7090 -0.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9510 -3.1000 0.2270 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0620 -3.5170 -1.7310 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3770 -4.9110 -1.3990 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4200 -5.3350 -1.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7860 -5.6550 -2.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3850 -5.0350 -0.1940 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.9230 -4.5590 0.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6850 -4.2970 -0.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0270 -3.0200 -0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3280 -2.6360 -0.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9470 -3.6320 -1.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9630 -5.0200 -1.3710 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.3470 -7.3200 0.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7020 -8.7320 0.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4340 -8.7020 2.1320 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6630 -7.9910 1.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4040 -6.5380 1.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2290 1.6800 -0.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7240 0.7320 -1.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8980 1.4460 -1.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1750 -0.7470 0.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6290 0.4910 0.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1440 -0.8380 1.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4400 0.7660 1.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0270 -0.9550 -1.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3440 -1.4140 -2.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3770 -3.1330 -2.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6160 -5.1610 -3.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9490 -5.6700 -3.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0650 -6.6930 -2.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3710 -2.3820 0.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7890 -1.6780 -0.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9330 -3.6100 -1.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7260 -6.7950 1.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8390 -7.3770 -0.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2850 -9.2670 0.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7850 -9.3030 1.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2950 -8.4990 1.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1840 -8.0240 2.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3490 -6.0080 1.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7860 -6.0280 2.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6200 -6.4930 0.2640 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.2070 -6.9350 -0.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 26 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 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 4 31 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 47 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 15 16 2 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 18 47 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 47 48 1 0 0 0 0 M CHG 1 47 1 M END