PUBCHEM-ZINC05378512 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 43 0 0 0 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 0.1280 -0.7200 1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2560 -0.2320 2.5890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2650 1.1290 2.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3860 1.5380 4.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4980 0.6060 5.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4910 -0.7440 4.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3700 -1.1780 3.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3580 -2.6110 3.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4700 -3.5540 4.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4580 -4.9070 3.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3320 -5.2680 2.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2270 -4.2990 1.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2400 -2.9980 2.0080 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1280 -2.1000 0.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0380 -2.3130 -0.7520 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.1020 -0.6560 -1.1080 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5760 -5.9410 5.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5620 -7.2930 4.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6730 -8.2510 5.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7970 -7.8710 7.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8100 -6.5310 7.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7070 -5.5640 6.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0020 1.8800 0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4730 1.8650 -0.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5990 1.8540 0.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1780 1.8580 2.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3940 2.5930 4.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5930 0.9440 6.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5800 -1.4610 5.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5660 -3.2360 5.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3200 -6.3090 2.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1310 -4.5860 0.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4650 -7.5900 3.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6620 -9.2980 5.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8830 -8.6240 7.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9070 -6.2400 8.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7220 -4.5180 6.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 18 2 0 0 0 0 3 4 1 0 0 0 0 3 16 2 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 30 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 19 1 0 0 0 0 13 14 2 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 35 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 22 23 2 0 0 0 0 22 37 1 0 0 0 0 23 24 1 0 0 0 0 23 38 1 0 0 0 0 24 39 1 0 0 0 0 M CHG 1 15 1 M END