PUBCHEM-ZINC04565948 MOE2007 3D CORINA 3.40 0006 02.08.2006 46 48 0 0 1 0 0 0 0 0999 V2000 0.5550 -0.8780 0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3100 -2.0450 0.7080 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2840 -2.7830 -0.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3220 -2.6680 1.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6980 -4.0200 1.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2710 -4.6060 3.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4740 -3.8510 4.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1030 -2.5080 4.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -1.9200 3.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7950 -1.6290 0.9520 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8150 -0.9910 1.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6900 -2.8410 1.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3710 -2.9600 2.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2030 -4.0530 2.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3680 -5.0370 1.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7020 -4.9290 0.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8670 -3.8380 0.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2680 -0.9000 -0.2040 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4550 -0.2300 -0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6660 0.7780 0.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9530 1.3460 1.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0050 0.9650 0.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7860 0.0180 -0.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5140 -0.5590 -0.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3270 -1.5330 -1.9710 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.1840 -2.4240 -2.0750 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3620 -1.3880 -2.7330 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.5830 1.3230 1.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4740 1.6090 1.2570 O 0 5 0 0 0 0 0 0 0 0 0 0 1.5880 -1.2050 0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1800 -0.4890 -0.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5850 -0.0500 0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5440 -4.6280 1.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5550 -5.6550 3.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9180 -4.3080 5.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2580 -1.9160 5.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2430 -0.8700 3.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2590 -2.1970 3.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7250 -4.1340 3.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0190 -5.8850 1.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8370 -5.6900 -0.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3660 -3.7640 -0.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1260 2.1090 1.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9830 1.4230 0.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6000 -0.2630 -1.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8730 1.4520 3.0300 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 10 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 35 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 18 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 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 28 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 22 23 2 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 28 29 1 0 0 0 0 28 46 2 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M CHG 1 29 -1 M END