IBS-ZINC02134989 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 48 0 0 1 0 0 0 0 0999 V2000 -0.2280 2.1910 0.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2030 0.7470 0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1590 0.2860 1.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0290 -0.1950 0.0480 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5760 -0.0740 0.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9420 0.2130 -1.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5470 0.1150 -2.2960 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2070 0.6920 -0.8360 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7990 0.9340 0.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9140 1.9270 0.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4190 1.5060 -1.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1550 1.0410 -1.9140 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.7030 1.8590 -2.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6050 -0.0950 -2.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6310 -1.2630 -2.3790 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7340 -1.6430 -0.0890 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4800 -2.5090 0.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3060 -2.1410 1.5610 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2210 -3.9520 0.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8990 -4.8830 1.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6170 -6.2440 1.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6680 -6.6710 0.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0030 -5.7380 -0.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2760 -4.3790 -0.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4060 -3.4420 -1.0890 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0960 -3.7410 -1.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2220 -2.0860 -1.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9320 -1.3680 -1.7060 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6460 2.8470 0.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8620 2.5900 -0.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7810 2.2580 1.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7560 0.7780 -0.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6480 0.2370 2.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5780 -0.7020 1.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0010 0.9790 1.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1910 -0.0190 0.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0780 1.3360 1.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6940 1.9130 0.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5050 2.9440 0.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1500 0.6960 -1.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9170 2.3280 -1.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6430 -4.5560 2.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1380 -6.9720 1.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4510 -7.7310 0.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 -6.0830 -1.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9530 0.2980 -4.0210 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 16 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 46 1 0 0 0 0 16 17 1 0 0 0 0 16 27 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 2 0 0 0 0 20 21 2 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 22 23 2 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 2 0 0 0 0 M CHG 1 46 -1 M END