PUBCHEM-ZINC03995768 MOE2007 3D CORINA 3.40 0006 02.08.2006 21 21 0 0 1 0 0 0 0 0999 V2000 1.4730 2.0310 0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9970 1.1010 0.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0470 2.2080 -1.3990 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2900 1.3600 -2.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 1.8990 -0.3330 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3690 0.8770 -0.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0140 2.8980 0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0630 3.2590 1.2670 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0690 3.5050 -2.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6280 4.5060 -1.5330 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9840 3.1320 0.9750 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1810 3.7900 1.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6690 2.6280 2.2960 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5420 3.4540 2.7240 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8280 3.2850 -0.8480 O 0 5 0 0 0 0 0 0 0 0 0 0 0.6560 3.5220 -3.3160 O 0 5 0 0 0 0 0 0 0 0 0 0 2.3440 1.4980 2.7430 O 0 5 0 0 0 0 0 0 0 0 0 0 2.9120 4.0690 0.2540 N 0 3 0 0 0 0 0 0 0 0 0 0 3.2480 4.7660 0.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 4.5060 -0.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7010 3.5750 -0.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 5 1 0 0 0 0 1 11 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 7 15 1 0 0 0 0 9 10 2 0 0 0 0 9 16 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 18 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 M CHG 1 15 -1 M CHG 1 16 -1 M CHG 1 17 -1 M CHG 1 18 1 M END