PUBCHEM-ZINC05362827 MOE2007 3D CORINA 3.40 0006 02.08.2006 28 29 0 0 0 0 0 0 0 0999 V2000 -0.1260 1.5870 -0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0790 0.0810 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0840 -0.6160 1.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0410 -1.9960 1.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0070 -2.6850 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0110 -1.9820 -1.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0370 -0.6020 -1.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -2.7130 -2.5310 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1560 -2.0960 -3.5780 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0110 -3.9290 -2.5430 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0500 -4.0830 -0.0530 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7270 -4.7400 0.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2320 -4.1230 1.8280 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8550 -6.1990 0.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5140 -6.9760 1.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4770 -8.3160 1.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8130 -8.6290 0.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1800 -7.2310 -0.4050 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8890 1.9820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6320 1.9390 -0.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6700 1.9290 0.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1210 -0.0800 2.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0450 -2.5390 2.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0380 -0.0560 -2.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4060 -4.5790 -0.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0140 -6.5760 2.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9510 -9.0630 2.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6900 -9.6330 -0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 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 22 1 0 0 0 0 4 5 1 0 0 0 0 4 23 1 0 0 0 0 5 6 2 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 7 24 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 11 12 1 0 0 0 0 11 25 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 26 1 0 0 0 0 16 17 2 0 0 0 0 16 27 1 0 0 0 0 17 18 1 0 0 0 0 17 28 1 0 0 0 0 M CHG 1 8 1 M CHG 1 10 -1 M END