IBS-ZINC00490718 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 49 0 0 1 0 0 0 0 0999 V2000 -0.5430 1.7830 0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2330 0.3310 0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0010 -0.6180 1.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2450 -1.8650 0.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5320 -3.1770 0.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7210 -4.1930 -0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6270 -3.9220 -1.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3440 -2.6320 -1.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1580 -1.6290 -0.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1260 -0.2950 -1.1560 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2390 0.1550 -2.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -0.4100 2.5320 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6180 -1.1700 3.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4270 -0.4560 3.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9460 -0.6370 5.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6590 0.2300 6.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7950 1.1630 7.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8780 1.7200 8.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9080 2.6030 8.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8580 2.9450 7.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7770 2.4090 6.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7420 1.5240 6.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6980 0.9350 4.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5570 0.8630 2.9150 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3700 2.3530 0.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9800 2.1550 -0.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2590 1.9820 0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6140 -3.4110 1.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9450 -5.2040 0.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7780 -4.7230 -2.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2750 -2.4250 -3.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1210 0.1140 2.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8140 -1.4720 3.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0410 -1.1640 5.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7420 -1.3670 5.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4520 -0.4280 7.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2390 0.8340 6.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1410 1.4660 9.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9690 3.0240 9.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6630 3.6300 8.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5330 2.6890 5.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4950 0.1900 4.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8240 1.7240 4.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3710 0.9660 2.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4010 0.2410 4.4780 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.6770 0.9760 4.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 3 2 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 12 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 2 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 24 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 14 45 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 23 45 1 0 0 0 0 24 44 1 0 0 0 0 45 46 1 0 0 0 0 M CHG 1 45 1 M END