IBS-ZINC04027707 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 47 0 0 0 0 0 0 0 0999 V2000 -0.1710 1.4630 1.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1840 0.0730 1.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9880 -0.6520 1.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1800 0.0020 0.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1820 1.3880 0.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0130 2.1250 0.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 2.0650 0.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4350 3.2930 0.2160 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5720 1.2370 0.0870 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4310 -0.1620 0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3200 -0.7640 0.4370 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5840 -1.0320 -0.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9630 -1.1850 -1.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1270 -1.9890 -1.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0670 -2.7560 -3.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1760 -3.4950 -3.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3530 -3.4570 -2.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4390 -2.6920 -1.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3280 -1.9580 -1.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4180 -4.1840 -3.1590 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1560 -4.0400 -2.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8460 1.8730 -0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9630 2.9420 -1.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2020 3.5360 -1.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3460 3.0650 -0.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2650 2.0080 0.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0040 1.4440 0.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5010 1.4680 0.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3640 0.4000 1.6180 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.0810 2.0300 1.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1040 -0.4480 1.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9760 -1.7370 1.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0200 3.2100 0.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0670 -1.5300 0.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4210 -0.6980 -2.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1550 -2.7880 -3.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1250 -4.0920 -4.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3540 -2.6400 -0.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4240 -1.3480 -0.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0960 3.3130 -1.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2770 4.3580 -2.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3110 3.5230 -0.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9460 0.6670 1.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5830 2.1100 0.7730 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 11 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 33 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 22 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 25 26 2 0 0 0 0 25 42 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 27 43 1 0 0 0 0 28 29 1 0 0 0 0 28 44 2 0 0 0 0 M CHG 1 29 -1 M END