IBS-ZINC00541163 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 46 0 0 1 0 0 0 0 0999 V2000 -0.4080 0.6430 -1.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1970 -0.5800 -0.1210 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2530 -1.3620 -0.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8010 -0.2670 1.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0310 -1.4770 1.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2780 -2.0400 2.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2660 -2.3570 1.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5280 -1.1440 0.4260 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1390 -1.4810 -0.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3030 -0.1360 1.1390 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6700 -0.2110 1.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3560 -1.1120 0.8070 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1560 0.8350 2.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5480 0.9720 2.4670 C 0 0 3 0 0 0 0 0 0 0 0 0 -6.2090 0.5080 1.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7600 0.3740 3.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6110 -1.1290 3.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4400 -1.7090 4.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3000 -3.0970 4.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3300 -3.9170 4.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4980 -3.3510 3.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6390 -1.9630 3.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9230 2.4660 2.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9250 3.2370 2.8140 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5360 0.9460 -1.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1180 0.4190 -1.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7910 1.5010 -0.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7610 0.0440 0.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4430 0.5750 1.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5520 -2.2580 1.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6870 -1.1960 2.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0730 -2.9500 3.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7240 -1.3200 3.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8620 -3.1770 0.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2030 -2.7230 1.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8300 0.6440 1.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5730 1.6240 2.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0610 0.8320 4.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7610 0.6220 4.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6250 -1.0790 4.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3850 -3.5360 4.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2190 -4.9970 4.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2980 -3.9890 3.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5500 -1.5320 3.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1580 2.7300 2.6390 O 0 5 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 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 23 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 16 39 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 40 1 0 0 0 0 19 20 1 0 0 0 0 19 41 1 0 0 0 0 20 21 2 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 22 44 1 0 0 0 0 23 24 2 0 0 0 0 23 45 1 0 0 0 0 M CHG 1 45 -1 M END