IBS-ZINC05026794 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 52 0 0 0 0 0 0 0 0999 V2000 -0.9840 -1.2220 -2.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2530 -2.6680 -1.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4150 -3.0930 -0.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6900 -4.5500 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1120 -4.9550 1.0900 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4330 -4.7500 2.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5340 -4.2320 2.5550 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4110 -5.1960 3.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 -5.0690 4.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1940 -4.5440 5.2280 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5950 -4.4550 6.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9210 -3.7040 6.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3600 -3.6330 8.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8760 -3.6870 7.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9940 -2.8020 7.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7980 -2.2020 9.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9940 -0.9150 9.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7350 -5.7930 3.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4810 -6.1820 4.1540 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0900 -5.8860 1.9400 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3670 -5.5030 0.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8490 -5.6500 -0.2840 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0680 -1.0750 -2.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5940 -0.9390 -2.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2280 -0.5440 -1.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3190 -2.7870 -1.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0300 -3.3150 -2.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6510 -2.9650 -0.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6330 -2.4370 0.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7530 -4.6780 0.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4650 -5.2070 -0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 -5.4070 5.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8230 -4.2020 4.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6980 -5.4660 7.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8190 -3.9360 7.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8090 -2.6900 6.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6820 -4.2010 6.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5310 -4.6240 8.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5940 -3.1190 8.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1690 -4.2450 8.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5860 -4.4000 7.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3350 -2.0830 8.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6740 -2.2460 6.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8540 -3.4180 7.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4720 -2.9340 10.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8550 -1.9760 9.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1290 -0.4380 10.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9240 -1.0900 9.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3250 -0.2070 9.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9990 -6.2860 1.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6590 -2.8430 8.3470 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.6150 -2.0770 7.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 21 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 2 0 0 0 0 8 18 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 13 51 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 14 51 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 16 51 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 50 1 0 0 0 0 21 22 2 0 0 0 0 51 52 1 0 0 0 0 M CHG 1 51 1 M END