PUBCHEM-ZINC05134801 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 42 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6360 0.7830 -0.0090 S 0 3 0 0 0 0 0 0 0 0 0 0 2.1030 0.7800 1.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4990 0.1740 1.8980 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2180 0.7660 1.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8870 0.1710 3.3550 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1340 -0.8760 3.9140 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9590 1.3320 4.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3360 1.3290 5.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3420 2.7440 5.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0600 3.6600 5.2360 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4940 -1.2010 1.3920 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3570 -1.9420 2.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6780 -1.4360 0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8500 -0.5090 -0.6860 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 -2.8500 -0.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9020 -2.8370 -1.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8960 -4.2730 -2.4850 C 0 0 3 0 0 0 0 0 0 0 0 0 2.9700 -4.7650 -2.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -4.2550 -3.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0640 -4.4590 -4.5230 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3480 2.0190 -0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3310 2.0090 0.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2970 -0.5060 0.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3140 -0.4960 -0.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1070 1.8030 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3850 0.1870 2.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7610 2.1700 3.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6180 0.7360 6.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3310 0.8970 5.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4670 -3.4180 0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7100 -3.3130 -0.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1080 -2.2680 -2.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8650 -2.3740 -2.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0220 -5.9740 -2.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6600 2.9850 7.2530 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9100 -4.0110 -4.7330 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0390 -5.0060 -1.9240 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9110 -4.5690 -2.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0250 -4.0100 -5.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6500 3.9080 7.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 13 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 2 0 0 0 0 11 37 1 0 0 0 0 13 14 1 0 0 0 0 13 15 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 32 1 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 39 1 0 0 0 0 21 22 2 0 0 0 0 21 38 1 0 0 0 0 36 39 1 0 0 0 0 37 42 1 0 0 0 0 38 41 1 0 0 0 0 39 40 1 0 0 0 0 M CHG 1 3 1 M END