PUBCHEM-ZINC03841506 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 39 0 0 1 0 0 0 0 0999 V2000 0.1260 1.5030 -0.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0830 -0.0210 -0.0870 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6860 -0.4390 -0.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6130 -0.5390 1.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1240 -1.0720 2.0890 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9570 -0.3320 1.4530 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7070 -0.7050 2.6690 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5340 -1.7710 2.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2670 0.1090 3.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1490 1.4970 3.5630 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8890 1.5270 2.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2300 -0.4900 2.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5110 0.0540 1.3460 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2770 -0.5170 -0.2250 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9940 -0.5060 -1.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6120 -0.0850 -2.4620 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2180 -1.0370 -1.1400 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0780 -1.0710 -2.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3850 -1.6820 -1.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3900 -0.8830 -1.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5910 -1.4540 -0.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7960 -2.8260 -0.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8000 -3.6310 -1.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5990 -3.0630 -1.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1510 1.8750 -0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2860 1.8900 -1.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4580 1.9340 0.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5670 0.0740 0.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2810 -0.2210 4.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9540 0.0120 4.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7240 -0.9110 0.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2460 -0.0550 -2.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6250 -1.6710 -3.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2400 0.1870 -1.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3660 -0.8280 -0.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7290 -3.2700 -0.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9590 -4.7020 -1.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8260 -3.7050 -2.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9850 -0.9020 3.3830 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 14 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 12 13 2 0 0 0 0 12 39 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 22 23 2 0 0 0 0 22 36 1 0 0 0 0 23 24 1 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 M CHG 1 39 -1 M END