IBS-ZINC05442813 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 0 0 0 0 0 0999 V2000 0.2770 1.5880 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 0.1040 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.5860 1.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1690 0.0660 2.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2000 -0.6510 3.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 -2.0380 3.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1140 -2.6970 2.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1420 -1.9680 1.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3320 -2.7090 0.1260 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4170 -2.0870 -1.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7090 -2.7440 -2.1100 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1780 -0.6170 -1.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1340 -0.0360 -2.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3090 0.0850 -3.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1270 -0.7840 -2.6360 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0840 -2.8540 4.7970 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2670 -2.2340 6.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2190 -3.2880 7.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 -3.2750 8.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0860 -4.2290 9.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0870 -5.2010 9.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8510 -5.2190 8.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7890 -4.2650 7.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2280 1.8050 0.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3540 2.0270 -1.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5260 2.1230 0.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2860 1.1450 2.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3400 -0.0860 4.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2260 -3.7770 2.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6860 -0.6530 -3.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6330 0.9390 -2.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2410 -1.7290 6.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5330 -1.5090 6.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9340 -2.5220 8.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8160 -4.2130 10.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -5.9440 9.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6310 -5.9740 8.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5290 -4.2890 6.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5110 1.0630 -3.8300 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 12 2 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 6 7 2 0 0 0 0 6 16 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 15 2 0 0 0 0 14 39 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 34 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 21 22 2 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 M CHG 1 39 -1 M END