IBS-ZINC05093598 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 44 0 0 0 0 0 0 0 0999 V2000 -0.0200 1.5030 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0010 -0.0040 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2030 -0.6770 -0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2260 -2.0580 -0.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7710 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1670 -2.0920 0.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1820 -0.7110 0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -4.1700 -0.0210 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0480 -4.8500 -1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1750 -4.1410 -2.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2820 -4.8180 -3.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2660 -6.2080 -3.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1430 -6.9260 -2.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 -6.2590 -1.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0960 -7.0000 -0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2030 -6.3180 1.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3380 -7.0110 2.4350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3630 -8.2250 2.5040 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4360 -6.2390 3.5420 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4090 -4.9010 3.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -4.2620 4.4930 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2880 -4.2280 2.3190 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1890 -4.8520 1.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5730 -6.8760 4.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3840 -6.9140 -4.9310 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.4940 -6.2770 -5.9630 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3700 -8.1310 -4.9640 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.1260 1.8700 -1.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8610 1.8510 0.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9100 1.8770 0.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 -0.1220 -0.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1650 -2.5820 -0.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0910 -2.6440 0.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1190 -0.1830 0.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1900 -3.0610 -2.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3810 -4.2640 -4.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1320 -8.0050 -2.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1090 -8.0800 -0.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6290 -7.0200 5.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1220 -6.2400 5.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0690 -7.8420 4.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 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 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 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 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 23 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 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 2 0 0 0 0 12 25 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 23 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END