PUBCHEM-ZINC02044408 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 36 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 1.0600 -0.5960 -0.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1560 -0.6940 0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1360 -2.1590 0.0010 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2950 -2.5070 -0.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4420 -2.6830 -0.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5450 -2.1950 -2.3430 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.6420 -0.7790 -2.4120 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5110 -2.8550 -3.0600 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1380 -2.9080 -2.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3980 -2.5970 -4.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9650 -3.4680 -5.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2040 -3.1830 -6.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8760 -2.0260 -6.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3100 -1.1560 -5.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0750 -1.4430 -4.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1300 -1.7200 -8.3780 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.7480 -2.4870 -9.2430 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7230 -0.7010 -8.6850 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9920 -2.6670 1.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9140 -1.8860 2.3310 O 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 -2.0020 -0.2200 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4660 -3.7700 -0.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2870 -2.2630 -0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1120 -3.9890 -2.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9330 -2.4820 -2.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4400 -4.3720 -4.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8650 -3.8630 -7.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8340 -0.2520 -6.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4170 -0.7650 -3.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9500 -3.9870 1.6500 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8570 -4.2650 2.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 21 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 9 2 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 11 30 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 31 1 0 0 0 0 14 15 1 0 0 0 0 14 32 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 33 1 0 0 0 0 17 34 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 21 22 2 0 0 0 0 21 35 1 0 0 0 0 35 36 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M END