IBS-ZINC05033021 MOE2007 3D CORINA 3.40 0006 02.08.2006 51 53 0 0 1 0 0 0 0 0999 V2000 -0.5980 1.4190 -2.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3860 -0.0950 -2.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7300 -0.4940 -1.1770 C 0 0 3 0 0 0 0 0 0 0 0 0 0.4920 -0.1300 -0.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0520 0.1190 -1.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8560 -1.9960 -1.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6720 -2.6800 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7870 -4.0570 0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0870 -4.7520 -1.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2710 -4.0630 -2.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 -2.6870 -2.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2010 -6.1060 -1.0660 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 -6.8360 -0.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1430 -8.2200 -0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0330 -8.9240 -0.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1850 -8.2700 -0.5480 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2210 -6.9540 -0.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1150 -6.2440 -0.8660 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4440 -6.3060 -0.6830 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2750 -4.8580 -0.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6520 -4.1890 -0.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3580 -4.5030 0.3020 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5410 -5.9050 0.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1730 -6.5920 0.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0060 -10.4210 -0.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4480 -8.9180 -0.7530 N 0 3 0 0 0 0 0 0 0 0 0 0 2.0660 -9.0820 0.2840 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9030 -9.3290 -1.8050 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.8770 1.7050 -1.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 1.9270 -2.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3930 1.7030 -2.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3090 -0.6030 -1.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1070 -0.3810 -3.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2900 -0.2450 -2.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9610 1.2050 -1.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8470 -0.1650 -0.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4380 -2.1390 0.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6430 -4.5910 0.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5040 -4.6020 -3.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2890 -2.1500 -3.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6930 -4.4510 -0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7560 -4.6690 -1.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5300 -3.1090 -0.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2140 -4.5570 -1.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0620 -6.0660 1.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1290 -6.3230 -0.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3090 -7.6680 0.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6050 -6.2120 1.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9200 -10.6620 0.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9260 -10.8500 -0.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1520 -10.8340 -0.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 26 1 0 0 0 0 15 16 1 0 0 0 0 15 25 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 M CHG 1 26 1 M CHG 1 28 -1 M END