IFLAB-ZINC04176823 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 48 0 0 0 0 0 0 0 0999 V2000 -3.0780 -4.7950 4.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2420 -4.5650 3.1650 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7350 -3.7680 2.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8440 -3.2810 2.3100 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 -3.4960 1.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4040 -2.8030 -0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4200 -2.6570 -1.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5460 -2.0010 -2.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5020 -1.9700 -3.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7040 -2.5800 -2.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8550 -3.2250 -1.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2060 -3.2710 -0.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2980 -4.0060 0.8150 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.6890 -2.2780 -0.1240 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8810 -1.0430 -0.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9440 -0.4260 -1.0970 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2280 -0.4400 -0.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4290 0.8410 -1.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6870 1.4000 -1.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7570 0.6920 -0.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5610 -0.5820 -0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3060 -1.1500 -0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0320 1.2640 -0.5600 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.0510 0.7840 -1.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9970 -0.1760 -2.0220 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.2810 1.6300 -1.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7910 2.6930 -0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3380 2.3330 0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5700 2.9210 0.9180 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5630 -5.4510 5.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3000 -3.8450 4.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0070 -5.2650 3.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4770 -1.5220 -2.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6110 -1.4650 -4.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5260 -2.5480 -3.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7950 -3.6990 -1.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4470 -2.8010 0.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5980 1.3910 -1.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8430 2.3900 -1.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3940 -1.1290 0.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1560 -2.1420 0.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6160 2.1010 -1.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0780 1.0280 -0.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8830 3.6930 -0.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3450 2.6210 0.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 2 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 6 14 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 11 2 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 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 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 28 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 27 28 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 28 29 2 0 0 0 0 M END