IBS-ZINC04338060 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 46 0 0 0 0 0 0 0 0999 V2000 -0.0230 1.3700 0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0130 -0.0180 -0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2280 -0.7060 -0.1120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4060 0.0510 -0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3960 1.4460 0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1600 2.1150 0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7490 1.8420 0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5470 0.7390 -0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7270 -0.3520 -0.1360 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0380 -1.3100 -0.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9700 0.7950 -0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6960 -0.1830 -0.2370 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4420 2.1060 0.0170 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5640 3.1790 0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2670 3.1350 0.1650 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8850 2.3240 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4450 2.2240 -1.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3910 2.8110 -2.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8710 3.1660 -2.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7200 2.0450 -2.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2260 1.6530 -0.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7450 1.3040 -0.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9810 1.8810 0.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9190 -0.5770 -0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2490 -1.7870 -0.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1310 3.1960 0.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0650 4.1570 0.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1110 3.3110 0.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3450 1.5720 0.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2590 1.2480 -1.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9760 2.9940 -2.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7960 3.6670 -3.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1760 1.9440 -3.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1970 3.3760 -3.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0290 4.0850 -2.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6820 1.1720 -2.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7670 2.3620 -2.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8040 0.7970 -0.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4070 2.4800 -0.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5330 0.4280 -1.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4040 1.1180 0.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9480 2.4690 -1.4730 N 0 3 0 0 0 0 0 0 0 0 0 0 10.1530 3.2960 -0.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 26 1 0 0 0 0 7 8 2 0 0 0 0 7 15 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 10 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 16 1 0 0 0 0 14 15 2 0 0 0 0 14 27 1 0 0 0 0 16 17 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 42 43 1 0 0 0 0 M CHG 1 42 1 M END