IBS-ZINC00543762 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 42 0 0 1 0 0 0 0 0999 V2000 4.2810 -1.7980 -0.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1270 -1.5230 0.0960 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5340 -1.4340 1.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0860 -2.6520 0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9160 -2.3030 0.8520 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3350 -1.0080 0.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3990 0.1000 0.5070 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9700 0.9850 0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5440 -0.2630 -0.2840 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8040 0.5150 1.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3320 -3.0470 1.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6670 -2.6570 2.4730 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9320 -4.2380 2.1600 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8050 -4.5350 1.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4610 -5.2220 3.1470 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0080 -4.6920 3.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5010 -6.2480 2.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8940 -5.7110 2.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6710 -6.7940 1.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7020 -5.2630 3.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6620 -6.0740 3.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6840 -6.0350 2.9110 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9280 -1.8450 -1.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0150 -0.9860 -0.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7850 -2.7380 -0.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7160 -2.7730 -0.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5440 -3.5960 0.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0580 -1.1230 -0.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5050 -0.7420 1.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1770 -0.3300 2.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6080 1.2580 1.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9530 0.9460 2.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 -6.6690 1.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6420 -7.0930 3.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7810 -4.8600 1.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8270 -7.6820 1.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6530 -6.4220 1.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1310 -7.1020 0.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2260 -4.4260 3.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7020 -4.9310 3.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8220 -6.0810 4.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4800 -6.6810 4.7580 O 0 5 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 4 1 0 0 0 0 2 9 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 10 32 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 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 21 1 0 0 0 0 17 18 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 22 2 0 0 0 0 21 42 1 0 0 0 0 M CHG 1 42 -1 M END