PUBCHEM-ZINC05012456 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 1 0 0 0 0 0999 V2000 -0.6780 1.7550 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6190 0.2970 -0.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0450 -0.6050 0.2700 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.6610 -2.2620 -0.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7370 -3.2810 -0.0390 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.9810 -3.2120 1.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3140 -4.7000 -0.3890 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8060 -4.7250 -1.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6620 -5.4290 -0.4070 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.9770 -5.5040 0.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5800 -4.3440 -1.0410 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.5340 -4.3210 -0.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9420 -3.0570 -0.8010 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8970 -4.4090 -2.4560 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0240 -4.2400 -3.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6190 -4.3370 -4.6730 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9380 -4.5960 -4.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1360 -4.6350 -3.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3020 -4.8420 -2.3680 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.3230 -5.0380 -3.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2580 -5.0310 -4.5710 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.0650 -4.8080 -5.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0090 -4.7960 -6.5560 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.5590 -5.2650 -2.6700 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5420 -6.5440 -1.1070 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.4440 -5.2770 0.5770 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6160 -6.2330 0.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1830 2.2950 -0.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5830 2.2460 -0.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6470 1.8600 1.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6310 0.2280 -1.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3040 -0.1580 -0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5830 -2.1710 -1.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6920 -2.5710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9710 -4.0500 -3.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1190 -4.6260 -7.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8570 -4.9580 -7.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6260 -5.2730 -1.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3380 -5.4150 -3.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 13 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 26 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 25 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 15 16 2 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 26 27 1 0 0 0 0 M CHG 1 25 -1 M END