PUBCHEM-ZINC05299071 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 0 0 0 0 0 0999 V2000 -0.7230 1.1950 0.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4480 -0.2660 -0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4590 -1.1240 1.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2060 -2.4810 0.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -2.9360 -0.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0840 -2.1410 -1.4440 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1860 -0.8350 -1.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1660 -0.0230 -2.4310 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 -0.6520 -3.9770 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2660 0.4550 -4.8850 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1820 -1.4390 -4.1020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4270 -1.7290 -4.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7050 -1.1740 -4.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8070 -2.0190 -4.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6370 -3.4110 -4.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3460 -3.9480 -4.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2380 -3.1110 -4.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7400 -4.2660 -4.5640 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3310 -4.3960 -3.4690 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4360 -5.2570 -3.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5120 -4.9500 -4.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6170 -5.7990 -4.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6460 -6.9520 -3.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5930 -7.2820 -2.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4900 -6.4200 -2.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6910 -8.5400 -2.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7750 -9.1960 -2.2850 O 0 5 0 0 0 0 0 0 0 0 0 0 -9.7410 -7.7810 -3.8580 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1180 1.7920 -0.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6350 1.4810 -0.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 1.4460 1.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6650 -0.7410 2.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2170 -3.1630 1.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2700 -3.9850 -0.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4410 0.9530 -2.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8520 -0.0970 -4.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8070 -1.6000 -4.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2070 -5.0250 -4.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2430 -3.5440 -4.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4840 -4.0400 -5.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4450 -5.5640 -5.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6670 -6.6580 -2.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5440 -8.5410 -3.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7410 -8.8380 -1.3020 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 5 6 2 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 35 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 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 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 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 24 2 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 42 1 0 0 0 0 26 27 1 0 0 0 0 26 44 2 0 0 0 0 28 43 1 0 0 0 0 M CHG 1 27 -1 M END