PUBCHEM-ZINC04097194 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 45 0 0 1 0 0 0 0 0999 V2000 0.0760 1.7930 -0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1350 0.2630 -0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0120 -0.2790 1.0630 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2160 0.5040 1.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1570 -1.2330 1.7410 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9430 -1.8640 1.0600 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6390 -2.6920 0.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6230 -0.3910 0.2140 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4680 -2.2560 2.4660 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.5920 -3.3360 2.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0760 -1.7150 2.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4980 -1.6000 4.0240 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6420 -1.4880 2.9630 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3170 -1.8280 4.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0700 -2.8230 4.7900 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4020 -0.8290 4.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0500 -1.1310 5.8210 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0660 -0.0510 6.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8060 -0.3560 7.4990 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.3020 -1.3320 7.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8490 0.7380 7.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5990 1.1430 9.0480 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3820 -0.8160 0.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4680 -2.0670 0.4420 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5250 -0.2320 -1.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0720 2.2170 -0.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5840 2.1840 -0.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2820 2.1740 0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9440 -0.6720 2.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9530 0.1720 4.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1570 -0.8480 3.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5460 -2.1080 5.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2710 -1.2040 6.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5610 0.9200 6.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7960 0.0490 5.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5090 0.1510 -1.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5620 -1.3250 -1.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1840 0.1160 -2.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7070 1.0520 7.0050 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.8420 -0.4000 8.6680 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.3470 0.2930 9.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9170 -0.0030 8.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8000 -1.2990 9.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2540 0.0800 0.4060 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 8 1 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 23 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 11 12 2 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 40 1 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 23 24 2 0 0 0 0 23 44 1 0 0 0 0 25 36 1 0 0 0 0 25 37 1 0 0 0 0 25 38 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 40 43 1 0 0 0 0 M CHG 1 39 -1 M CHG 1 40 1 M CHG 1 44 -1 M END