PUBCHEM-ZINC05647655 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 31 0 0 1 0 0 0 0 0999 V2000 0.0250 1.0460 0.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3140 -0.2340 1.1720 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5170 -0.4050 0.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9270 0.7600 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9960 1.7030 0.2730 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0500 3.1130 -0.0820 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7050 3.5860 0.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4900 3.3950 -1.5470 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9590 2.6770 -2.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8160 4.7550 -1.7730 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6680 4.9990 -2.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4990 4.5940 -1.0240 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2350 4.0810 -1.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2620 3.6970 0.0880 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0900 5.8810 -0.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3120 5.5700 0.2080 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1010 4.7850 0.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6420 5.7760 -1.2020 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5240 5.3270 -1.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8130 3.5340 -1.6290 O 0 5 0 0 0 0 0 0 0 0 0 0 3.0730 0.8660 -0.7280 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3420 1.7670 -1.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8630 -0.2300 -0.8730 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5290 -1.3420 -0.3650 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3540 -1.5650 0.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0540 -2.6650 0.8160 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8590 1.5490 1.3640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4300 6.3480 0.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3080 6.6000 -1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 5 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 21 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 20 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 16 17 1 0 0 0 0 18 19 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 M CHG 1 20 -1 M END