PUBCHEM-ZINC05011746 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 1 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 0.0230 -0.6930 1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0850 1.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7790 -0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0490 -1.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6860 -1.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 0.0880 -2.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -4.1220 -0.0720 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0780 -4.8200 1.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0980 -6.2960 1.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0980 -6.9310 0.0070 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1180 -6.9120 2.2480 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1320 -7.8810 2.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1190 -6.2090 3.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1380 -6.8250 4.4410 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1020 -4.8800 3.4440 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0800 -4.1430 2.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 -2.7800 2.3840 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0660 -2.0680 3.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3750 -1.8400 4.1240 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9290 -1.3220 3.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3760 -0.9890 5.3960 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9850 0.0030 5.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8060 -0.8640 5.9260 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.1970 -1.8560 6.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8070 -0.0140 7.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1220 0.0060 7.7560 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6290 -0.2430 4.9360 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5540 -1.6100 6.3860 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9950 -3.0990 4.3940 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 -4.7920 -1.3190 O 0 5 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 0.0250 -0.1550 2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -2.5680 -2.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9850 0.2900 -2.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5520 -0.4950 -3.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5600 1.0310 -2.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5950 -2.6620 4.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5660 -1.1060 3.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1110 -0.4400 7.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5010 1.0040 6.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1970 0.5280 8.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3390 0.6450 4.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8440 -2.4980 6.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5540 -3.6150 5.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 19 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 10 2 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 18 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 31 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 30 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 29 1 0 0 0 0 27 28 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 28 45 1 0 0 0 0 29 46 1 0 0 0 0 30 47 1 0 0 0 0 31 48 1 0 0 0 0 M CHG 1 9 1 M CHG 1 32 -1 M END