PUBCHEM-ZINC04565666 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 40 0 0 1 0 0 0 0 0999 V2000 -0.8830 1.4970 -1.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8620 -0.0100 -1.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5820 -0.6070 -2.1320 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1560 -0.6940 0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1360 -2.1590 0.0010 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3500 -2.5090 -0.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4910 -2.6860 -0.4790 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.7130 -2.2780 -1.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5760 -2.2520 0.5110 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.5360 -2.6700 0.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2160 -2.7640 1.9080 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.1910 -3.8540 1.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9310 -2.2620 2.2810 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8680 -2.6740 1.4180 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8130 -3.7630 1.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3690 -2.1410 1.8930 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8280 -2.7320 3.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2640 -2.2840 2.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9180 -2.7740 4.2500 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7270 -2.0460 5.0840 N 0 3 0 0 0 0 0 0 0 0 0 0 -3.5360 -1.3170 5.9180 N 0 5 0 0 0 0 0 0 0 0 0 0 -3.6610 -0.8260 0.5310 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4500 -4.1130 -0.5520 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2630 -4.6980 -1.6970 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.2990 -6.0920 -1.4250 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4550 -3.9240 -1.7130 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2670 -4.3640 -3.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6210 1.8700 -2.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8800 1.8460 -0.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1620 1.8660 -0.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3800 -0.2160 0.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9740 -3.8010 2.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7710 -2.2720 3.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0860 -2.5720 3.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2880 -1.1940 2.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2440 -2.6670 2.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3300 -0.4800 1.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2960 -4.8480 -3.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7800 -4.7540 -4.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1280 -3.2880 -3.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 14 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 23 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 22 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 18 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 20 2 0 0 0 0 20 21 2 0 0 0 0 22 37 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 27 38 1 0 0 0 0 27 39 1 0 0 0 0 27 40 1 0 0 0 0 M CHG 1 20 1 M CHG 1 21 -1 M END