PUBCHEM-ZINC02047162 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 44 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 0.7180 -0.4980 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 -2.0270 -1.2650 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2790 -2.4050 -1.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3340 -2.5140 -2.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3320 -3.1960 -2.5500 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1450 -3.8670 0.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9980 -4.3300 1.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6130 -4.0890 2.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4210 -4.5280 3.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5460 -5.1700 3.5030 N 0 3 0 0 0 0 0 0 0 0 0 0 3.9480 -5.4190 2.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1880 -5.0150 1.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6030 -5.2800 -0.0820 O 0 5 0 0 0 0 0 0 0 0 0 0 5.2430 -6.1550 2.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3300 -3.3560 3.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1640 -3.2360 4.4260 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1030 -2.5060 5.1010 P 0 0 0 0 0 0 0 0 0 0 0 0 -2.3520 -3.1210 4.5990 O 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 0.5290 -0.3650 0.8850 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 0.1910 -0.1360 -2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7410 -0.1200 -1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2740 -4.5460 -0.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0980 -3.8590 0.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1260 -4.3420 4.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0930 -5.4660 4.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0490 -7.2270 2.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6850 -5.8320 1.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9310 -5.9400 2.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3680 -2.3620 2.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5100 -3.9100 2.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7550 -2.1920 -3.7290 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5510 -2.5120 -0.1410 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5340 -2.4800 -0.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0280 -2.6720 6.7010 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0850 -0.9410 4.7230 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2930 -0.4730 5.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7610 -2.2560 7.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1730 -2.5270 -4.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 24 1 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 38 1 0 0 0 0 6 7 2 0 0 0 0 6 37 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 8 38 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 17 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 31 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 37 44 1 0 0 0 0 38 39 1 0 0 0 0 40 43 1 0 0 0 0 41 42 1 0 0 0 0 M CHG 1 12 1 M CHG 1 15 -1 M END