PUBCHEM-ZINC05498849 MOE2007 3D CORINA 3.40 0006 02.08.2006 37 37 0 0 1 0 0 0 0 0999 V2000 -0.9050 -0.3070 -0.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 -0.2660 0.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5600 1.1470 0.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 -1.2000 1.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4840 -0.8120 -0.1710 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0210 -0.2320 -1.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6060 0.7670 -1.8500 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1100 -0.9310 -1.6780 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9900 -0.5910 -2.8080 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4260 0.3890 -2.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2420 -0.5670 -4.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9980 0.8280 -4.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5010 1.2780 -5.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1680 2.5630 -6.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3410 3.4270 -5.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8980 2.8960 -4.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2210 1.6610 -3.9580 N 0 3 0 0 0 0 0 0 0 0 0 0 2.0220 4.5950 -5.9750 O 0 5 0 0 0 0 0 0 0 0 0 0 5.1690 -1.6010 -2.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1280 -2.5460 -2.0740 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7920 0.3910 -1.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0220 -1.3040 -0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8310 -0.0450 0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2740 1.5010 1.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4740 1.1730 1.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 1.8700 0.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1280 -2.2300 1.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8850 -1.2260 2.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8570 -0.8880 2.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3890 -1.7700 -1.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7750 -1.1330 -4.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2640 -1.0580 -4.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1370 0.6470 -6.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5610 2.9090 -7.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2610 3.4570 -3.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8540 1.3420 -3.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0120 -1.3460 -3.8230 O 0 5 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 4 1 0 0 0 0 2 5 1 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 3 26 1 0 0 0 0 4 27 1 0 0 0 0 4 28 1 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 19 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 35 1 0 0 0 0 17 36 1 0 0 0 0 19 20 2 0 0 0 0 19 37 1 0 0 0 0 M CHG 1 17 1 M CHG 1 18 -1 M CHG 1 37 -1 M END