PUBCHEM-ZINC05162365 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 50 0 0 1 0 0 0 0 0999 V2000 -0.0700 1.2860 -0.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1160 0.4780 -1.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2360 -0.3510 -1.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1830 -0.3740 -0.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9800 0.4350 0.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8590 1.2630 0.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4150 -1.2390 -0.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3960 -0.7640 -1.4510 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9500 -0.7820 -2.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6610 -1.6260 -1.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6970 -1.1720 -0.9410 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5360 -2.8790 -1.9900 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6470 -3.8230 -2.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2160 -5.2390 -1.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3490 -5.7620 -2.6900 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9820 -7.1150 -2.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2700 -7.6740 -3.5370 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3790 -7.3100 -4.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6100 -8.0420 -5.6320 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9750 -8.9210 -4.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3690 -8.7010 -3.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9620 -9.3670 -2.3770 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0780 -10.3320 -2.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6070 -10.6600 -3.9320 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0480 -9.9520 -5.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5740 -10.2730 -6.2550 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9450 1.9270 -0.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6170 0.4890 -2.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3510 -0.9810 -2.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6850 0.4280 1.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7040 1.8860 1.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9250 -1.2850 0.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0980 -2.2700 -0.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6650 -3.1960 -2.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0100 -3.7980 -3.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4510 -3.4890 -1.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1060 -5.8750 -1.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6930 -5.2400 -0.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8700 -7.7380 -2.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3270 -7.1410 -1.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0340 -6.5150 -5.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6950 -10.9240 -1.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8960 -9.7510 -7.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9120 -11.0290 -6.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7850 0.6730 -1.1970 N 0 3 0 0 0 0 0 0 0 0 0 0 5.3940 0.7220 -0.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9770 1.2960 -1.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3480 1.0420 -1.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 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 8 45 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 19 2 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 45 46 1 0 0 0 0 45 47 1 0 0 0 0 45 48 1 0 0 0 0 M CHG 1 45 1 M END