PUBCHEM-ZINC06371891 MOE2007 3D CORINA 3.40 0006 02.08.2006 29 28 0 0 1 0 0 0 0 0999 V2000 0.3770 0.7260 0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3150 -0.4810 -0.3090 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1350 -1.7100 0.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3130 -0.4550 -1.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0270 0.9350 -1.9360 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.8730 -2.0240 -1.9110 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5420 -2.3820 -3.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1890 -3.8600 -3.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2050 -4.4020 -2.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3100 -4.5210 -4.2530 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 -5.9410 -4.4190 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3070 -6.4940 -3.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5840 -6.0960 -4.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1050 -5.3970 -5.6650 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4450 -5.6070 -6.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4920 -6.5790 -5.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0960 -6.1690 -6.7820 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4530 0.5270 0.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2080 1.5890 -0.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 0.9590 1.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4260 -1.4830 1.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6440 -2.4730 0.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 -2.0940 -0.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8710 -2.0860 -4.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3680 -1.8210 -2.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6390 -4.0420 -5.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0850 -5.6950 -3.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8660 -7.1510 -4.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4270 -7.4130 -5.5930 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 21 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 13 14 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 14 15 1 0 0 0 0 16 17 2 0 0 0 0 16 29 1 0 0 0 0 M CHG 1 29 -1 M END