PUBCHEM-ZINC05312182 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 41 0 0 0 0 0 0 0 0999 V2000 -0.1810 1.4780 -1.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1140 -0.0310 -0.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4600 -0.5440 -0.5010 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6530 -1.9040 -0.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5900 -2.7910 -0.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7840 -4.1350 -0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0340 -4.5980 0.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0930 -3.7180 0.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9050 -2.3720 0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0380 -1.4290 0.2610 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.8540 -0.3160 0.7190 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1560 -1.7670 -0.0860 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.2770 -6.3140 0.5700 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.6620 -6.5670 0.3730 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2540 -7.0020 -0.1360 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9810 -6.5610 2.1800 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0650 -6.4530 3.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1080 -7.7400 3.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7270 -7.9950 4.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6990 -8.1760 3.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6300 -6.8990 2.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8210 1.8590 -1.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8210 1.6800 -1.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5900 1.9700 -0.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2960 -0.5240 -1.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5270 -0.2330 0.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2180 0.0620 -0.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3860 -2.4300 -0.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -4.8260 -0.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0680 -4.0830 0.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8790 -5.6020 3.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0160 -6.3190 2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8440 -7.6340 4.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3830 -8.5770 3.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4420 -7.1460 5.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7610 -8.8970 5.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2790 -8.3800 3.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9970 -9.0090 2.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -7.0600 1.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2420 -6.0850 3.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 2 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 13 14 2 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 M CHG 1 10 1 M CHG 1 12 -1 M END