PUBCHEM-ZINC02522551 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 37 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 0.7040 -0.4850 1.1780 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8120 -1.8150 1.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3350 -2.5530 0.4930 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5270 -2.3880 2.5190 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2740 -1.8080 3.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0380 -2.3300 2.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7570 -2.7880 3.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0670 -4.1260 3.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7250 -4.5480 4.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0750 -3.6290 5.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7630 -2.2880 5.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1100 -1.8700 4.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.3050 6.6850 N 0 3 0 0 0 0 0 0 0 0 0 0 4.8600 -0.1280 6.5370 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7150 -1.6740 7.6900 O 0 5 0 0 0 0 0 0 0 0 0 0 1.1160 -3.7810 2.7120 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3310 -4.6880 1.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8640 -4.3520 0.7030 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9080 -6.1210 1.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3030 -2.9810 1.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3310 -1.3060 2.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7930 -4.8410 2.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9670 -5.5930 4.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8700 -0.8250 4.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6900 -4.0500 3.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1140 -6.2510 1.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5740 -6.7780 1.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9590 -6.3710 2.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7230 -4.0430 6.9310 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6870 -4.0320 6.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 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 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 18 1 0 0 0 0 8 9 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 12 13 2 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 31 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 36 37 1 0 0 0 0 M CHG 1 15 1 M CHG 1 17 -1 M END