PUBCHEM-ZINC05158411 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 44 0 0 1 0 0 0 0 0999 V2000 0.4980 0.4860 -0.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7290 -0.3400 -1.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7890 -1.1640 -1.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2390 -0.2460 -2.6740 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2920 -1.2540 -3.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6770 0.1240 -2.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2020 0.7410 -4.6540 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2140 -0.0990 -5.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1030 0.7250 -3.8390 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8810 0.2680 -4.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5830 2.1220 -3.4020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0540 2.1370 -3.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8670 1.3330 -3.4530 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 3.1540 -2.1360 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7200 3.4570 -1.6360 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2790 2.5170 -1.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4500 4.4510 -2.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7670 3.8810 -3.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6330 4.7820 -4.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5790 6.0220 -4.5850 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6540 4.1200 -0.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4970 4.5440 0.0950 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6960 2.0130 -5.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7690 2.4280 -4.8270 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3210 0.3930 0.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4010 1.5480 -0.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4160 0.1620 0.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5090 -1.2350 -0.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9960 -1.7510 -2.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2270 -0.6860 -1.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7650 1.0460 -1.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5150 2.8270 -4.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0400 2.5230 -2.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6560 3.7700 -1.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8430 5.3600 -2.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3900 4.7680 -2.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2770 2.9160 -3.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8400 3.7030 -4.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3010 0.3850 -3.6250 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.9100 -0.3620 -3.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8800 1.2770 -3.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3100 4.1700 -5.6980 O 0 5 0 0 0 0 0 0 0 0 0 0 4.7290 4.1300 0.4430 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.0670 2.3900 -6.4050 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 6 39 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 23 1 0 0 0 0 7 39 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 21 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 20 2 0 0 0 0 19 42 1 0 0 0 0 21 22 2 0 0 0 0 21 43 1 0 0 0 0 23 24 2 0 0 0 0 23 44 1 0 0 0 0 39 40 1 0 0 0 0 39 41 1 0 0 0 0 M CHG 1 39 1 M CHG 1 42 -1 M CHG 1 43 -1 M CHG 1 44 -1 M END