PUBCHEM-ZINC05814055 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 52 0 0 1 0 0 0 0 0999 V2000 -0.0920 1.0180 0.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3100 -0.3100 0.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5550 -0.6370 0.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4320 0.3470 -0.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9970 1.6800 -0.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7530 2.0160 0.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6630 0.0240 -0.9010 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8310 0.8960 -0.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0340 0.0870 -0.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0480 -1.9980 -1.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8610 -1.1780 -1.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5360 -1.9000 -0.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7230 -1.1750 -1.3620 C 0 0 3 0 0 0 0 0 0 0 0 0 8.9630 -0.2590 -0.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9600 -2.0660 -1.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9970 -1.2540 -2.0190 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2410 -1.8040 -2.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5780 -3.1220 -1.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8960 -3.5720 -1.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8930 -2.7150 -2.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5790 -1.3980 -2.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2590 -0.9700 -2.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9390 0.3950 -2.9690 N 0 3 0 0 0 0 0 0 0 0 0 0 13.1900 1.2590 -2.1200 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4360 0.5920 -4.0830 O 0 5 0 0 0 0 0 0 0 0 0 0 8.2940 -0.7630 -2.6780 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0960 -0.4320 -3.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0580 1.2750 1.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3410 -1.0970 1.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8380 -1.6860 0.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6140 2.4880 -0.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4460 3.0570 0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0750 1.3620 -1.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6490 1.7030 -0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9370 0.7030 -0.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8530 -0.2900 0.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8550 -2.3990 -0.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2770 -2.8170 -1.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9740 -1.8180 -1.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0630 -0.8620 -2.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4260 -2.8990 -1.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6020 -1.9770 0.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2430 -2.4180 -0.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7620 -2.9100 -2.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8460 -3.8320 -1.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1470 -4.6020 -1.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9110 -3.0790 -2.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3510 -0.7290 -3.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2860 -1.1250 -1.0970 N 0 3 0 0 0 0 0 0 0 0 0 0 6.5240 -0.7780 -2.0520 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 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 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 31 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 9 49 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 10 49 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 12 49 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 26 1 0 0 0 0 15 16 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 46 1 0 0 0 0 20 21 2 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 26 27 1 0 0 0 0 49 50 1 0 0 0 0 M CHG 1 23 1 M CHG 1 25 -1 M CHG 1 49 1 M END