PUBCHEM-ZINC03869258 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 27 0 0 1 0 0 0 0 0999 V2000 -0.0710 1.4620 -0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1850 -0.0700 -0.0400 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2840 -0.4570 -0.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6510 -0.5370 0.0410 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0820 -0.1960 0.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7870 -2.0670 -0.0830 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0370 -2.5970 0.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2000 -2.5250 0.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2200 -3.9270 0.5630 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4530 -4.9180 -0.7270 P 0 0 0 0 0 0 0 0 0 0 0 0 -2.3570 -4.4560 -1.6900 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5440 -2.3560 -1.4770 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8570 -3.3340 -1.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3970 0.0460 -1.0390 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2850 -0.6120 -1.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5360 -0.6000 1.0820 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4530 -0.2560 0.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3770 1.8760 -0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3120 1.1490 0.2210 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 3.2750 -0.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8310 4.1560 -0.4260 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.6140 1.8940 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4670 1.8730 0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5060 -2.0460 1.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9370 -2.2720 -0.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2610 -6.3160 -0.1630 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.8660 -4.5970 -1.1900 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8820 3.4410 -1.1000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 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 4 1 0 0 0 0 2 16 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 14 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 8 9 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 12 13 1 0 0 0 0 14 15 1 0 0 0 0 16 17 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 28 2 0 0 0 0 M CHG 1 21 -1 M CHG 1 26 -1 M CHG 1 27 -1 M END