PUBCHEM-ZINC03651092 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 50 0 0 0 0 0 0 0 0999 V2000 -0.7740 2.2430 -1.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0460 0.8970 -1.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0720 -0.0040 -0.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2320 0.5080 -0.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1930 -0.4050 0.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9160 -1.7560 0.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6570 -2.2520 0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3270 -1.3900 -0.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9640 -2.1190 -0.7840 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.8330 -1.3600 0.1110 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1290 -1.8610 -2.2110 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5220 1.8980 -0.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4940 2.7330 -1.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7910 2.4250 -0.3650 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0910 3.8480 -0.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5630 4.1020 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4590 6.1640 1.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2070 7.6750 1.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3610 5.7450 -0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7880 5.5480 -1.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5550 2.9010 -1.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0560 0.5600 -1.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1970 -0.0810 0.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6850 -2.4170 0.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4470 -3.3050 0.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6640 3.7890 -1.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5410 1.7840 -0.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9290 4.2430 -1.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4210 4.3740 0.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7880 3.6420 0.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1780 3.5630 -0.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1790 5.9640 2.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5130 5.7160 1.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1260 8.2350 0.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4780 7.8910 0.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9380 5.0830 0.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6360 6.7710 0.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6260 4.5270 -2.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2720 6.2490 -2.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7990 -3.5270 -0.4300 O 0 5 0 0 0 0 0 0 0 0 0 0 4.9080 5.5480 0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6360 8.2170 2.4100 N 0 3 0 0 0 0 0 0 0 0 0 0 3.4600 9.2290 2.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2650 8.0860 3.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7340 7.7780 2.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2460 5.8100 -1.8220 N 0 3 0 0 0 0 0 0 0 0 0 0 8.5340 5.6720 -2.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8170 5.1690 -1.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5040 6.7740 -1.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 13 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 12 1 0 0 0 0 5 6 1 0 0 0 0 5 23 1 0 0 0 0 6 7 2 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 40 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 26 1 0 0 0 0 14 15 1 0 0 0 0 14 27 1 0 0 0 0 15 16 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 17 41 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 19 41 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 20 46 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 42 45 1 0 0 0 0 46 47 1 0 0 0 0 46 48 1 0 0 0 0 46 49 1 0 0 0 0 M CHG 1 40 -1 M CHG 1 42 1 M CHG 1 46 1 M END