PUBCHEM-ZINC04556737 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 46 0 0 1 0 0 0 0 0999 V2000 -0.6710 1.6660 0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3670 0.4810 0.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8890 0.5520 0.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8560 1.5160 0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6400 2.6030 -0.5480 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2510 2.7570 -1.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1390 2.2730 -0.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7140 1.6080 0.2390 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7740 3.0180 -1.5950 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9890 3.7790 -1.2600 C 0 0 3 0 0 0 0 0 0 0 0 0 5.5170 3.2520 -0.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9110 3.9290 -2.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4870 2.5850 -2.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5110 2.7800 -4.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1180 1.4520 -4.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5800 5.1740 -0.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3570 5.2180 -0.2560 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9810 1.7150 -0.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9820 2.6020 0.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0180 -0.4560 0.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0700 0.4520 1.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2900 1.4430 1.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2330 0.5130 -0.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1640 1.4830 1.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1300 0.5410 -0.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3560 3.1610 -2.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3690 4.3980 -3.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7430 4.5990 -2.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9670 2.0850 -2.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6820 1.9290 -3.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0310 3.2620 -4.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3040 3.4560 -3.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6300 0.9520 -3.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3740 0.7790 -4.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4720 -0.6250 1.3970 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.5000 -0.6170 1.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1960 -0.6420 2.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1550 -1.5060 0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1380 1.7040 -5.5070 N 0 3 0 0 0 0 0 0 0 0 0 0 9.5760 0.8270 -5.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8870 2.3170 -5.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7290 2.1550 -6.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4660 6.0650 -0.6280 O 0 5 0 0 0 0 0 0 0 0 0 0 1.5000 3.9180 0.1660 N 0 3 0 0 0 0 0 0 0 0 0 0 1.6240 3.8470 1.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6620 4.4610 -0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3440 4.5810 -0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 4 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 2 20 1 0 0 0 0 2 21 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 24 1 0 0 0 0 4 25 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 44 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 26 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 12 13 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 15 39 1 0 0 0 0 16 17 2 0 0 0 0 16 43 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 35 38 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 39 42 1 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 44 47 1 0 0 0 0 M CHG 1 35 1 M CHG 1 39 1 M CHG 1 43 -1 M CHG 1 44 1 M END