PUBCHEM-ZINC03677283 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 1 0 0 0 0 0999 V2000 -0.0720 1.3620 -0.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1040 -0.0010 -0.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0860 -0.7010 -0.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3190 -0.0390 -0.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3410 1.3310 -0.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 2.0290 -0.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6100 -0.7920 -0.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1440 -1.0440 -1.4970 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3620 -1.6650 -1.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1150 -2.1050 -0.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3560 -2.7160 -0.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8460 -2.8860 -1.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1020 -2.4560 -3.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8470 -1.8480 -2.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0290 -1.3720 -4.0890 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9820 -1.6490 -3.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1760 0.1510 -4.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0450 0.6090 -5.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3420 1.0850 -6.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3700 2.4160 -7.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0200 1.9120 -5.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4330 -2.0440 -5.2900 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1530 -3.5160 -2.1880 N 0 3 0 0 0 0 0 0 0 0 0 0 9.6980 -4.0440 -1.2090 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6350 -3.4770 -3.3290 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.0000 1.9060 -0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0570 -0.5190 -0.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0430 -1.7660 -0.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2900 1.8580 -0.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1730 3.0920 -1.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2950 -0.1770 0.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4210 -1.7350 0.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7660 -1.9890 0.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9220 -3.0470 0.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4820 -2.5930 -4.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8070 0.7290 -3.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2510 0.3640 -4.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7580 1.2660 -4.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6650 -0.3920 -5.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5120 0.3970 -7.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2660 1.2080 -6.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6710 3.4430 -7.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6070 1.7700 -8.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1030 1.8630 -6.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8420 2.6410 -5.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1530 -1.4470 -6.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5180 0.5770 -5.5880 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8770 2.4230 -7.1370 N 0 3 0 0 0 0 0 0 0 0 0 0 2.4460 2.7090 -8.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6030 3.1330 -6.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 30 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 12 13 2 0 0 0 0 12 23 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 22 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 17 47 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 18 47 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 20 43 1 0 0 0 0 20 48 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 21 47 1 0 0 0 0 22 46 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 48 49 1 0 0 0 0 48 50 1 0 0 0 0 M CHG 1 23 1 M CHG 1 25 -1 M CHG 1 48 1 M END