PUBCHEM-ZINC02873083 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 41 0 0 0 0 0 0 0 0999 V2000 -0.1120 1.5070 0.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0670 -0.0200 0.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6070 -0.4180 -1.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1320 -1.9770 -1.2050 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7030 -2.0500 -2.5040 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8450 -2.3090 -0.0220 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2970 -3.0080 -1.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9240 -3.2880 -2.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0440 -4.0960 -2.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5400 -4.6280 -1.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9070 -4.3450 -0.0680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7850 -3.5410 -0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6720 -5.4450 -1.2920 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6840 -6.8650 -0.4400 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.2910 -6.5410 0.8860 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9120 -7.5100 -0.7520 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4060 -7.8820 -1.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1570 -7.8960 -0.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1550 -8.6930 -1.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4020 -9.4770 -2.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6520 -9.4640 -2.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6550 -8.6700 -2.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6710 -10.3300 -2.7010 N 0 3 0 0 0 0 0 0 0 0 0 0 1.7720 -10.3410 -2.1810 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4530 -11.0200 -3.6810 O 0 5 0 0 0 0 0 0 0 0 0 0 0.9040 1.9010 0.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6580 1.9050 -0.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6140 1.8040 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4790 -0.4170 1.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0840 -0.4140 0.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7460 0.2320 -1.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5380 -2.8740 -3.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5330 -4.3140 -3.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2900 -4.7570 0.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2900 -3.3240 0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4520 -5.1810 -1.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9640 -7.2830 0.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8210 -8.7030 -0.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8450 -10.0760 -3.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6330 -8.6620 -2.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 4 5 2 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 14 15 2 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 M CHG 1 23 1 M CHG 1 25 -1 M END