PUBCHEM-ZINC04573735 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 1 0 0 0 0 0999 V2000 -3.0690 1.4180 -2.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3250 0.2960 -3.5190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9050 -0.8010 -2.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1600 -1.9290 -3.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6940 -3.0100 -2.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2090 -3.1240 -1.1770 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3100 -3.8620 -2.7350 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 -4.7180 -1.7530 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3170 -5.5300 -1.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3010 -5.2570 -2.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0370 -5.3170 -4.1310 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7580 -4.0150 -4.1170 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2270 -3.0710 -4.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3420 -4.3940 -5.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3790 -3.8010 -6.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3860 -4.1330 -7.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3710 -5.0650 -6.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3320 -5.6780 -5.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3240 -5.3460 -4.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2990 -5.2860 -7.9170 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3900 -6.1490 -7.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3560 -6.1130 -8.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4110 -7.1650 -9.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2990 -7.1130 -10.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1350 -6.0090 -10.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0800 -4.9520 -10.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1930 -5.0020 -8.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5440 -4.0230 -0.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9810 -2.8430 -0.6250 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9780 1.0440 -2.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4400 1.8840 -2.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3590 2.1910 -3.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9690 -0.1270 -4.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4410 0.7090 -4.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2640 -0.3750 -1.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7930 -1.2040 -2.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8300 -2.3850 -3.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2940 -1.5090 -3.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1730 -4.6180 -2.1730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5360 -6.2540 -1.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3740 -3.0720 -6.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4040 -3.6580 -8.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0650 -6.4190 -5.3850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3130 -5.8360 -3.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0290 -7.1730 -7.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9140 -5.8130 -6.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7600 -8.0300 -9.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3360 -7.9330 -11.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8240 -5.9690 -11.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7260 -4.0880 -10.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1480 -4.1680 -8.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5460 -4.7550 0.5570 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 28 1 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 25 26 2 0 0 0 0 25 49 1 0 0 0 0 26 27 1 0 0 0 0 26 50 1 0 0 0 0 27 51 1 0 0 0 0 28 29 2 0 0 0 0 28 52 1 0 0 0 0 M CHG 1 52 -1 M END