PUBCHEM-ZINC05887343 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 55 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4160 -2.0580 -0.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7900 -2.5650 -0.1110 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0210 -3.8880 -0.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0910 -4.6600 -0.3220 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4350 -4.4100 -0.2070 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.9880 -3.9780 -1.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1120 -4.0210 1.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5820 -4.4410 1.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2490 -4.0590 2.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8460 -2.8190 2.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4580 -2.4680 3.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4730 -3.3570 4.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8760 -4.5970 4.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2680 -4.9500 3.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4180 -5.8690 -0.3350 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6370 -6.3720 -0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4860 -6.5130 -0.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4620 -5.8850 -1.1960 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4690 -8.0140 -0.9760 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.2460 -8.4620 -0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3960 -8.4250 -1.9870 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.5680 -7.9080 -2.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4610 -9.9140 -2.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8350 -10.6430 -1.3230 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7590 -7.9810 -1.3440 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.7470 -8.4680 -1.4280 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9160 -0.2570 0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9860 -0.1020 -0.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9330 -2.3340 -1.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8630 -2.4890 0.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5340 -1.9480 -0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6120 -4.5250 1.9370 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0460 -2.9420 1.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0820 -3.9380 0.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6480 -5.5210 0.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8350 -2.1240 1.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9240 -1.4990 3.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9500 -3.0830 5.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8880 -5.2920 5.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8060 -5.9200 3.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6840 -8.6800 -0.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0110 -8.1090 -2.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1030 -10.4300 -3.3970 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1610 -11.3910 -3.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 34 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 40 1 0 0 0 0 5 41 1 0 0 0 0 6 7 1 0 0 0 0 6 42 1 0 0 0 0 7 8 2 0 0 0 0 7 9 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 43 1 0 0 0 0 11 44 1 0 0 0 0 12 13 1 0 0 0 0 12 45 1 0 0 0 0 12 46 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 47 1 0 0 0 0 15 16 1 0 0 0 0 15 48 1 0 0 0 0 16 17 2 0 0 0 0 16 49 1 0 0 0 0 17 18 1 0 0 0 0 17 50 1 0 0 0 0 18 51 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 30 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 29 1 0 0 0 0 27 28 2 0 0 0 0 27 54 1 0 0 0 0 29 52 1 0 0 0 0 30 53 1 0 0 0 0 54 55 1 0 0 0 0 M END