PUBCHEM-ZINC02678791 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 53 0 0 0 0 0 0 0 0999 V2000 0.6380 -0.5700 -0.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7010 -0.0760 -1.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0650 -1.9520 0.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2960 -2.6680 -1.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9120 0.2970 1.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3300 1.7470 0.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4610 1.7170 0.0870 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9460 2.9380 -0.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5160 4.0120 0.1280 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0530 2.7900 -1.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6160 3.9470 -1.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6490 3.8470 -2.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1170 2.5940 -3.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5710 1.4440 -2.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5460 1.5370 -1.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1530 2.4520 -4.0590 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.9140 2.8790 -5.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9390 2.7550 -6.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6690 3.2630 -7.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6460 3.1380 -8.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8750 2.5150 -8.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1290 2.0120 -7.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1640 2.1330 -6.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3780 3.6660 -9.9190 N 0 3 0 0 0 0 0 0 0 0 0 0 -8.2990 4.2460 -10.1040 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.2450 3.5000 -10.7880 O 0 5 0 0 0 0 0 0 0 0 0 0 1.4350 -0.2350 -1.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8670 -0.1810 0.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6850 -1.6630 -0.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7040 1.0140 -1.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9130 -0.4780 -2.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9560 -2.0670 0.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -2.3460 0.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0980 -2.1950 -1.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3920 -2.6900 -1.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5840 -3.7080 -1.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9480 0.2030 1.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6830 -0.1930 1.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6160 2.2140 1.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5150 2.3210 0.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2580 4.9320 -1.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0880 4.7520 -3.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9500 0.4680 -2.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1560 0.6170 -1.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9470 3.3360 -5.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7150 3.7450 -7.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6400 2.4130 -9.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0770 1.5260 -6.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8630 -0.4630 -0.1120 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.7080 -0.1280 -0.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4610 1.6170 -4.8060 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6800 1.8070 -4.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 30 1 0 0 0 0 2 31 1 0 0 0 0 2 49 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 3 49 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 5 49 1 0 0 0 0 6 7 1 0 0 0 0 6 39 1 0 0 0 0 6 40 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 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 41 1 0 0 0 0 12 13 1 0 0 0 0 12 42 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 43 1 0 0 0 0 15 44 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 24 1 0 0 0 0 21 22 2 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 23 51 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 49 50 1 0 0 0 0 51 52 1 0 0 0 0 M CHG 1 24 1 M CHG 1 26 -1 M CHG 1 49 1 M END