IBS-ZINC03985231 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 1 0 0 0 0 0999 V2000 1.3640 2.2320 -0.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3890 1.0350 0.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3100 1.2140 1.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 -0.3010 -0.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2640 -0.7020 -1.3630 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4650 0.0890 -2.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6890 -1.9520 -2.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2230 -3.0480 -1.7450 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5240 -1.0570 -0.6890 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5340 -0.1890 -0.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5440 1.0060 -0.6310 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6810 -0.8750 0.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3110 0.0750 1.3070 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6860 0.2820 2.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6780 -0.3140 2.9100 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2960 1.2810 3.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7240 1.5810 4.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3260 2.5330 5.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4920 3.1790 5.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0610 2.8760 3.8360 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4560 1.9260 3.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0130 1.6220 1.7730 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8620 2.0810 1.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4750 0.7160 0.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0400 0.5060 -0.1790 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1770 2.1870 -1.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4190 2.2820 -1.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4800 3.1700 -0.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3550 1.0140 0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6910 1.2480 1.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3360 0.3890 2.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4660 2.1440 2.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0750 -1.1010 0.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1980 -0.2530 -0.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5890 -2.0620 -0.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3000 -1.7290 0.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3930 -1.2460 -0.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8150 1.0810 4.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8860 2.7730 6.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9580 3.9210 5.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9680 3.3890 3.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7880 -1.7270 -2.9610 O 0 5 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 4 1 0 0 0 0 2 29 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 42 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 24 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 20 2 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 2 0 0 0 0 M CHG 1 42 -1 M END