IBS-ZINC00508323 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 0.6600 1.0960 -0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4560 -0.3800 0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1420 -2.2920 -0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6140 -2.6760 -0.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4190 -2.1230 0.7580 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3630 -0.6610 0.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9070 -0.2090 1.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1070 -2.9620 1.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0640 -4.2580 1.5630 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8180 -4.8840 2.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9150 -6.0960 2.6660 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5020 -3.9080 3.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2640 -4.2890 4.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9660 -3.4020 5.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0860 -2.6680 4.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7630 -1.8600 5.8870 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3380 -1.7760 7.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2170 -2.5050 7.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5380 -3.3160 6.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0970 -0.9590 8.0120 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7370 -0.8800 9.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1170 -2.3180 2.9020 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7290 1.3320 -0.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2690 1.3680 -1.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1770 1.7280 0.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0350 -0.9730 -0.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7580 -0.6480 1.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7370 -2.7150 0.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 -2.6160 -0.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9820 -2.2740 -1.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6920 -3.7660 -0.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7460 -0.2350 -0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9790 -0.2460 1.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8440 0.8820 1.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5170 -0.5710 2.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3900 -5.3490 4.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4480 -2.7240 3.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6380 -1.2990 5.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8470 -2.4710 8.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6700 -3.8810 7.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4480 -0.2110 9.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8080 -1.8590 9.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7360 -0.4510 9.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9980 -0.7690 -0.0390 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.3110 -0.3770 -0.9380 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 26 1 0 0 0 0 2 27 1 0 0 0 0 2 44 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 3 44 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 8 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 6 33 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 7 44 1 0 0 0 0 8 9 2 0 0 0 0 8 22 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 2 0 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 44 45 1 0 0 0 0 M CHG 1 44 1 M END