IBS-ZINC05025553 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 1 0 0 0 0 0999 V2000 0.0660 0.3590 0.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 1.6790 2.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8460 2.7050 3.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2210 2.2460 3.4580 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9570 1.7940 2.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1340 0.7730 1.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8270 2.3060 4.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1120 2.7220 5.7520 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6980 2.7840 6.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0290 2.4480 7.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7330 2.0300 6.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1150 1.9480 4.8140 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0610 1.6650 6.0680 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7630 1.0840 4.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1320 0.5700 5.3950 C 0 0 3 0 0 0 0 0 0 0 0 0 -8.0080 -0.1690 6.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9620 -0.0190 4.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3630 0.1660 4.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2660 1.5120 5.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9160 1.6490 5.9440 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6640 2.5410 8.4430 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.9010 2.6240 8.4890 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9360 2.5370 9.4490 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.8720 3.2150 7.9750 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 -0.5700 0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0290 0.8290 0.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4790 0.1800 -0.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 2.0910 2.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1080 0.7500 3.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3180 2.8870 4.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8650 3.6590 2.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9180 1.3260 2.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1790 2.6640 1.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0040 -0.1600 2.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6120 0.5610 0.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6020 1.8690 6.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8900 1.8540 4.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1900 0.2520 4.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8380 0.5600 3.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7120 -1.0620 4.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1330 0.1370 4.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5880 -0.6140 5.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4620 2.3300 4.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9570 1.6040 6.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9320 3.4920 7.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1870 3.2280 8.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7400 1.3140 1.1790 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.8460 2.1750 0.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 47 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 2 47 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 6 34 1 0 0 0 0 6 35 1 0 0 0 0 6 47 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 24 1 0 0 0 0 10 11 2 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 20 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 47 48 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M CHG 1 47 1 M END