PUBCHEM-ZINC02862997 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 58 0 0 0 0 0 0 0 0999 V2000 0.0190 1.5530 -0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1850 0.2260 0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4450 -0.3420 0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5390 0.4170 -0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3730 1.7440 -0.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1130 2.3120 -0.5290 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9130 -0.2010 -0.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2300 -0.9110 -1.8620 S 0 0 0 0 0 0 0 0 0 0 0 0 3.3950 -2.0380 -2.0880 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3530 0.1180 -2.8350 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8520 -1.5900 -1.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0240 -2.8990 -1.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2960 -3.4310 -1.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3960 -2.6550 -1.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2240 -1.3460 -1.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9510 -0.8150 -2.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7830 -3.2350 -1.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1460 -3.8300 -2.6940 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3760 -4.4040 -2.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2160 -4.3930 -1.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4660 -4.9760 -1.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8840 -5.5700 -2.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0470 -5.5830 -4.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7890 -5.0040 -3.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4580 -6.1670 -5.1800 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6920 -6.7370 -5.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8470 -8.0720 -4.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1020 -8.6490 -4.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2030 -7.8970 -5.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0500 -6.5670 -5.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7970 -5.9870 -5.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5460 -8.5180 -5.2780 N 0 3 0 0 0 0 0 0 0 0 0 0 18.6820 -9.6900 -4.9730 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5160 -7.8570 -5.6030 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9660 1.9950 -0.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6700 -0.3670 0.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5750 -1.3780 0.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2270 2.3370 -0.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9830 3.3490 -0.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6590 0.5630 -0.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9700 -0.9870 0.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1650 -3.5050 -1.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4310 -4.4540 -0.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0830 -0.7390 -2.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8160 0.2070 -2.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4910 -2.4430 -1.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8010 -3.9930 -0.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8920 -3.9290 -0.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1190 -4.9660 -0.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8610 -6.0250 -2.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1350 -5.0170 -4.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9880 -8.6590 -4.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2240 -9.6870 -4.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9110 -5.9820 -5.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6780 -4.9490 -5.8530 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 35 1 0 0 0 0 2 3 2 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 6 39 1 0 0 0 0 7 8 1 0 0 0 0 7 40 1 0 0 0 0 7 41 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 43 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 48 1 0 0 0 0 21 22 1 0 0 0 0 21 49 1 0 0 0 0 22 23 2 0 0 0 0 22 50 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 51 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 52 1 0 0 0 0 28 29 1 0 0 0 0 28 53 1 0 0 0 0 29 30 2 0 0 0 0 29 32 1 0 0 0 0 30 31 1 0 0 0 0 30 54 1 0 0 0 0 31 55 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 M CHG 1 32 1 M CHG 1 34 -1 M END