IBS-ZINC04084430 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 59 0 0 1 0 0 0 0 0999 V2000 1.7070 2.1710 0.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1720 0.9720 1.9960 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1790 -0.4420 1.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4100 -1.6510 2.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6570 -2.9060 1.8530 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9260 -3.1320 0.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0820 -4.1430 2.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2390 -4.3190 3.0550 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0570 -5.0480 2.8700 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2260 -6.3240 3.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9800 -6.7160 4.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8880 -6.6670 3.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8130 -8.1610 4.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9520 -8.5890 5.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1070 -7.6380 7.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1900 -7.6870 7.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2970 -6.1970 6.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1620 -5.7580 5.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2610 -8.0730 7.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0530 -8.9630 7.6320 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3060 -7.3810 9.1160 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2980 -7.5660 10.1850 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.2630 -7.8070 9.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8830 -8.6560 11.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9110 -10.0580 10.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5760 -11.3120 11.8640 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.6950 -12.7880 10.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4390 -6.2570 11.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4810 -5.4380 10.8620 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6290 2.3540 0.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2240 3.1150 0.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9960 1.8080 -0.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1260 -0.1450 1.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4680 -0.6820 0.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4850 -1.8750 2.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1160 -1.4150 3.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8450 -4.7600 2.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3650 -7.0620 2.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1460 -6.3110 4.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7690 -8.8460 4.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1400 -8.2620 5.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8860 -8.6300 5.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7630 -9.6090 6.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2560 -6.1110 5.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3490 -5.5010 7.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2300 -5.7020 6.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3720 -4.7450 5.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6450 -6.6320 9.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8760 -8.4390 11.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5610 -8.6280 12.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8910 -10.2620 10.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1410 -10.1590 9.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5170 -13.6750 11.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6930 -12.8650 10.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9430 -12.7580 10.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4780 -6.1660 11.7330 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.8120 -2.7460 1.9170 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1080 -2.0080 1.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0750 -2.4320 2.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 57 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 37 1 0 0 0 0 10 11 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 18 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 28 1 0 0 0 0 24 25 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 28 29 2 0 0 0 0 28 56 1 0 0 0 0 57 58 1 0 0 0 0 57 59 1 0 0 0 0 M CHG 1 56 -1 M END