PUBCHEM-ZINC04557369 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 37 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -0.7020 1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0840 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7680 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0710 -1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6890 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 -4.5300 -0.0230 S 0 0 3 0 0 0 0 0 0 0 0 0 1.4830 -4.9890 -0.1010 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7570 -6.2690 -0.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6800 -7.2760 -0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0110 -8.5940 -0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3410 -8.9980 -0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3880 -8.0840 -0.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1510 -6.7450 -0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2730 -5.7810 -0.2670 N 0 3 0 0 0 0 0 0 0 0 0 0 5.5130 -6.2190 -0.3400 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0310 -4.4870 -0.2480 O 0 5 0 0 0 0 0 0 0 0 0 0 2.6500 -10.4450 -0.1890 N 0 3 0 0 0 0 0 0 0 0 0 0 1.7470 -11.2610 -0.1450 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8070 -10.8190 -0.2520 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.4880 -4.9920 1.2020 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8040 -5.1050 -1.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1670 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.6290 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.6060 -2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1440 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3550 -6.9710 -0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2310 -9.3400 -0.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4050 -8.4440 -0.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3120 -4.7040 -2.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7820 -6.1940 -1.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8380 -4.7630 -1.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 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 27 1 0 0 0 0 4 5 1 0 0 0 0 4 28 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 7 30 1 0 0 0 0 8 9 2 0 0 0 0 8 22 2 0 0 0 0 8 23 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 13 14 2 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 23 34 1 0 0 0 0 23 35 1 0 0 0 0 23 36 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M CHG 1 19 1 M CHG 1 21 -1 M END