PUBCHEM-ZINC03738848 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 51 0 0 1 0 0 0 0 0999 V2000 -0.2070 1.7450 0.3850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0070 0.2410 0.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2770 -0.3790 0.2460 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3180 -1.7480 0.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2280 -2.5970 0.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3850 -3.9900 0.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6720 -4.5030 0.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7820 -3.6830 0.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5970 -2.2870 0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9040 -4.5400 -0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4610 -5.8480 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1070 -5.8110 0.2160 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4910 -6.6040 0.3370 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3180 -7.0750 -0.0810 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.4440 -7.5050 0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2370 -5.3780 0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3350 -4.2030 -0.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8000 -8.1240 -1.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8260 -9.0330 -0.6770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3520 -9.9570 -1.5350 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8730 -9.9720 -2.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4200 -10.9030 -3.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9370 -10.9460 -5.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9240 -10.0440 -5.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3870 -9.1060 -4.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8780 -9.0530 -3.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3460 -8.1330 -2.2890 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7410 2.2700 0.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6300 2.0410 -0.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9140 2.0700 1.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6890 -0.0580 -0.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3990 -0.0290 1.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7730 -2.2080 0.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4690 -4.6420 0.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4430 -1.6210 -0.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2760 -5.5110 1.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2550 -5.2440 -0.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6240 -3.3110 0.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4740 -3.9790 -1.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3880 -9.0610 0.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6460 -11.6100 -3.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5670 -11.6810 -5.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3340 -10.0680 -6.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1590 -8.4020 -4.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7210 -6.6650 -0.5160 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.6650 -6.6240 -1.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3660 -7.4390 -0.3230 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 1 0 0 0 0 2 31 1 0 0 0 0 2 32 1 0 0 0 0 3 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 33 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 35 1 0 0 0 0 10 11 2 0 0 0 0 10 17 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 14 45 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 16 45 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 27 2 0 0 0 0 19 20 2 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 25 2 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 26 27 1 0 0 0 0 45 46 1 0 0 0 0 45 47 1 0 0 0 0 M CHG 1 45 1 M END