IBS-ZINC02271112 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 45 0 0 0 0 0 0 0 0999 V2000 -3.1980 1.0240 -0.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7010 -0.3890 -0.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2620 -0.9720 0.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7750 -2.2810 0.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6970 -3.0350 -0.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1250 -2.4620 -1.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6170 -1.1320 -1.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0160 -3.2630 -2.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4660 -4.5450 -2.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0920 -5.0320 -1.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2120 -4.2840 -0.1320 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6040 -6.4080 -1.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8870 -7.1400 0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4640 -8.4720 0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3140 -9.0570 -0.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8930 -10.3750 -0.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6050 -10.8030 -2.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7830 -9.9580 -3.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2520 -8.6750 -3.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5350 -8.2100 -2.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0870 -6.9470 -2.1210 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7840 -11.3640 0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9190 -9.2000 1.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8320 -10.0670 1.1910 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.4940 -2.8210 -3.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6560 -2.3140 -4.0130 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.3740 1.7070 -0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9830 1.1480 -1.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6290 1.3060 0.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2960 -0.4190 1.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4400 -2.7260 1.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9450 -0.6670 -2.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3720 -5.1640 -3.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4670 -6.7010 0.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0310 -11.8030 -2.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3390 -10.2930 -4.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4040 -8.0110 -3.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2240 -11.7820 0.2330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4730 -12.2060 0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0650 -10.9040 1.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3740 -8.8610 2.4440 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7020 -3.0050 -4.9240 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 11 2 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 9 10 2 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 21 2 0 0 0 0 13 14 2 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 23 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 22 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 18 19 2 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 2 0 0 0 0 25 26 1 0 0 0 0 25 42 2 0 0 0 0 M CHG 1 24 -1 M CHG 1 26 -1 M END