IBS-ZINC05032399 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 38 0 0 0 0 0 0 0 0999 V2000 -0.0910 1.5350 0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0770 0.0380 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 -0.7360 1.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -2.1320 1.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -2.7870 -0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0130 -2.0010 -1.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 -0.6050 -1.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 -4.2440 -0.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1240 -5.1530 -1.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1470 -6.4360 -0.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1100 -6.2720 0.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -4.9190 0.9370 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1080 -7.2930 1.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1600 -7.1050 3.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1280 -8.2720 3.9300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -9.4270 3.5330 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1960 -7.8550 5.2500 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2760 -6.4940 5.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3540 -5.6720 6.9210 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2590 -5.6520 3.9220 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2160 -8.8690 6.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6240 -9.3040 6.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5940 -8.7990 6.1340 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9340 1.9190 0.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6100 1.9690 -0.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6170 1.8730 0.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0640 -0.2630 2.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 -2.7040 2.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -2.4610 -2.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 -0.0220 -2.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1450 -4.9290 -2.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1870 -7.3860 -1.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -8.3150 1.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3270 -8.4880 7.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3110 -9.7650 5.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6330 -10.1220 7.7340 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 7 30 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 10 11 2 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 21 22 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 22 23 2 0 0 0 0 22 36 1 0 0 0 0 M CHG 1 36 -1 M END