PUBCHEM-ZINC02986468 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 0 0 0 0 0 0999 V2000 0.4720 -0.1080 -1.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2250 -1.5100 -0.9690 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 -2.2950 -2.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2440 -1.7240 -3.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6530 -2.5190 -4.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4470 -3.8870 -4.1210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8270 -4.4640 -3.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4220 -3.6650 -1.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6170 -5.8470 -2.9700 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7330 -6.4560 -2.2290 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7440 -7.8510 -2.4990 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7450 -5.9190 -0.9130 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1330 -5.7780 -3.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6800 -6.4390 -4.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7780 -5.9110 -4.7910 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3320 -4.7140 -4.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7790 -4.0520 -3.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6850 -4.5890 -2.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4410 -4.1760 -5.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7240 -3.6030 -4.1350 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.6940 -3.1710 -5.0790 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9930 -4.5760 -3.1340 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1750 -2.1580 -3.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1520 -2.1320 -1.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7210 -0.9990 -1.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3120 0.1090 -1.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3350 0.0830 -3.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7620 -1.0520 -4.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7810 -1.0820 -5.4890 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.5380 -0.0700 -6.1210 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0400 -2.1180 -6.0740 O 0 5 0 0 0 0 0 0 0 0 0 0 1.8490 -4.6690 -5.1600 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4780 -4.0100 -6.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5430 0.0660 -1.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0440 0.2810 -1.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1040 0.4000 -0.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4050 -0.6570 -3.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -2.0720 -5.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0550 -4.1100 -1.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2620 -6.4480 -3.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2490 -7.3700 -4.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2050 -6.4270 -5.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2070 -3.1210 -2.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2580 -4.0780 -1.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4600 -4.1380 -5.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4710 -2.9980 -1.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7030 -0.9780 -0.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9760 0.9960 -1.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0160 0.9490 -3.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -3.2830 -6.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3760 -3.4980 -5.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7480 -4.7460 -7.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 6 7 2 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 10 11 2 0 0 0 0 10 12 2 0 0 0 0 10 13 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 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 20 21 2 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 46 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 26 27 2 0 0 0 0 26 48 1 0 0 0 0 27 28 1 0 0 0 0 27 49 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 32 33 1 0 0 0 0 33 50 1 0 0 0 0 33 51 1 0 0 0 0 33 52 1 0 0 0 0 M CHG 1 29 1 M CHG 1 31 -1 M END