PUBCHEM-ZINC06692851 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 48 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 -0.6160 1.0490 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.7330 -1.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0210 -0.0290 -2.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0230 -0.7120 -3.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -2.0930 -3.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.8100 -2.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -2.1290 -1.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0330 -4.1790 -2.5220 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7640 -4.8290 -3.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7450 -6.2990 -3.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5990 -7.0020 -4.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5760 -8.3790 -4.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7100 -9.0730 -3.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1380 -8.3920 -2.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1330 -7.0060 -2.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0580 -9.1440 -1.6500 N 0 3 0 0 0 0 0 0 0 0 0 0 1.0660 -10.3610 -1.6740 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8060 -8.5440 -0.8980 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.4960 -9.1350 -5.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8090 -9.3600 -6.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0500 -10.4980 -6.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4190 -10.7040 -7.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5470 -9.7710 -8.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3060 -8.6340 -8.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9410 -8.4300 -7.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0360 1.0510 -2.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0400 -0.1630 -4.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -2.6200 -4.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 -2.6780 -0.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4390 -4.2890 -3.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2760 -6.4650 -4.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6990 -10.1530 -3.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7490 -10.0970 -4.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4070 -8.5580 -5.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9500 -11.2260 -5.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1740 -11.5930 -8.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0540 -9.9320 -9.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4060 -7.9050 -9.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5370 -7.5430 -7.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9700 -6.3360 -1.6760 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5980 -6.1590 -0.8020 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 9 2 0 0 0 0 5 6 2 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 34 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 21 1 0 0 0 0 15 16 2 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 45 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 25 26 2 0 0 0 0 25 42 1 0 0 0 0 26 27 1 0 0 0 0 26 43 1 0 0 0 0 27 44 1 0 0 0 0 45 46 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M END