PUBCHEM-ZINC01053223 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 48 0 0 0 0 0 0 0 0999 V2000 0.0700 1.6740 -0.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1760 0.2290 -0.1160 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5450 -0.2630 1.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2940 0.4860 2.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6600 -0.0040 3.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2760 -1.2380 3.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5280 -1.9850 2.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1590 -1.5040 1.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1420 -0.8210 -1.3560 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4950 -2.0590 -0.7540 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9900 -0.1280 -2.2610 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3750 -1.0970 -2.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1410 -2.2090 -1.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3310 -2.4290 -2.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7580 -1.5310 -3.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9860 -0.4160 -3.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7940 -0.2050 -3.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9620 -1.7500 -4.2230 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3690 -3.0080 -4.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6450 -3.9490 -4.2180 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6940 -3.2450 -5.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1180 -4.5470 -5.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3560 -4.7600 -5.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1770 -3.6880 -6.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7630 -2.3950 -5.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5240 -2.1670 -5.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5050 -3.9250 -6.8480 N 0 3 0 0 0 0 0 0 0 0 0 0 10.8720 -5.0620 -7.0840 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2300 -2.9830 -7.1140 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0320 2.0620 -0.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6850 1.8720 -1.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2160 2.1620 0.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1870 1.4500 2.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4650 0.5780 4.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5620 -1.6180 4.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0090 -2.9480 2.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3520 -2.0900 0.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8090 -2.9060 -1.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9290 -3.2970 -2.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3150 0.2840 -4.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1920 0.6610 -3.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5050 -0.9970 -4.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4790 -5.3850 -5.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6860 -5.7670 -6.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4090 -1.5620 -6.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2000 -1.1570 -5.2020 H 0 0 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 9 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 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 6 7 2 0 0 0 0 6 35 1 0 0 0 0 7 8 1 0 0 0 0 7 36 1 0 0 0 0 8 37 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 26 46 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 M CHG 1 27 1 M CHG 1 29 -1 M END