IBS-ZINC06691040 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 1 0 0 0 0 0999 V2000 -0.4930 0.0690 2.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2550 -0.7160 0.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0420 -1.1550 0.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9460 -0.5320 2.2510 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5660 0.2700 2.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5660 -1.9760 -0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8490 -2.3510 -1.0500 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0160 -2.3870 -0.1120 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5040 -2.7200 -1.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9200 -4.1500 -1.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3650 -4.7560 -2.4300 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7370 -4.6800 -0.2610 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1860 -3.6980 0.6730 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8730 -3.5480 1.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8490 -4.1680 1.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4780 -3.9050 2.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2520 -4.3360 2.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6030 -5.0310 2.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2320 -5.2940 0.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9920 -4.8580 0.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9160 -5.4940 2.6300 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.2420 -5.2630 3.7810 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6690 -6.1060 1.8950 O 0 5 0 0 0 0 0 0 0 0 0 0 4.0500 -6.0670 0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4950 -6.1550 0.5860 C 0 0 3 0 0 0 0 0 0 0 0 0 6.1750 -5.7280 -0.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8750 -7.6230 0.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7740 -7.5340 2.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8310 -6.0220 2.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6340 -5.4740 1.8520 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5470 -1.9740 -2.4560 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4620 0.4980 2.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0130 -0.9630 0.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5490 0.8620 3.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1460 -3.3620 3.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0380 -4.1310 3.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9000 -5.8370 0.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2800 -5.0610 -0.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3750 -6.4040 0.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9280 -6.7010 -0.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9830 -8.2130 1.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4270 -8.0500 0.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3270 -8.0800 2.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7710 -7.9170 1.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8280 -5.8580 3.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7170 -5.5740 1.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6250 -1.5980 0.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 5 2 0 0 0 0 1 32 1 0 0 0 0 2 3 2 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 4 5 1 0 0 0 0 5 34 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 13 1 0 0 0 0 8 47 1 0 0 0 0 9 10 1 0 0 0 0 9 31 2 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 24 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 35 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 24 25 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 30 1 0 0 0 0 27 28 1 0 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 28 29 1 0 0 0 0 28 43 1 0 0 0 0 28 44 1 0 0 0 0 29 30 1 0 0 0 0 29 45 1 0 0 0 0 29 46 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M END