IBS-ZINC00626860 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 0 0 0 0 0 0999 V2000 1.1400 0.7330 0.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5200 -0.5830 0.3450 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 -1.1610 1.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1620 -0.5110 2.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3260 -1.0940 3.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9540 -2.3320 3.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0930 -2.9880 2.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6040 -2.4160 1.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7310 -3.1160 0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2300 -2.5710 -0.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4230 -1.2440 -0.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8350 -0.7640 -1.9380 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2540 -3.3460 -2.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7850 -3.8110 -2.6060 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5290 -3.4890 -2.6650 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9450 -4.2070 -3.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0450 -4.8660 -4.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4950 -5.5520 -5.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8530 -5.5920 -6.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7670 -4.9470 -5.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3130 -4.2650 -4.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5920 -3.4790 -3.1100 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.8100 -2.7480 -2.1100 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2850 -2.6400 -4.0820 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4520 -4.6690 -2.5050 N 0 5 0 0 0 0 0 0 0 0 0 0 -6.1610 -4.2380 -1.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3560 -4.3490 0.2810 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0340 0.7010 1.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4470 1.0640 -0.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4250 1.4650 0.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6480 0.4560 2.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2130 -0.5800 4.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3360 -2.7890 4.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5860 -3.9570 2.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3130 -3.0110 -2.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -4.8580 -4.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7770 -6.0530 -6.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1970 -6.1240 -6.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8280 -4.9750 -5.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5680 -4.6720 -0.6140 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 11 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 2 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 2 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 35 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 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 25 26 1 0 0 0 0 27 40 1 0 0 0 0 M CHG 1 25 -1 M END