PUBCHEM-ZINC05448124 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 0 0 0 0 0 0 0 0999 V2000 1.0350 1.7100 0.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4810 0.3420 0.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5100 -0.6190 1.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 -1.8550 1.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5250 -2.1060 -0.0520 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5260 -1.1240 -0.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 0.1000 -0.7220 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0840 -1.4690 -2.1980 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2680 -0.7850 -3.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8520 0.5330 -3.6250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0630 1.1650 -4.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6990 0.4870 -5.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1330 -0.8340 -5.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9090 -1.4500 -4.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8230 -1.5760 -6.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2080 -2.7640 -6.5990 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0110 -2.8670 2.1420 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 -4.2640 1.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2640 -4.9060 0.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1540 -6.2920 0.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2780 -7.0540 1.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5980 -6.4430 2.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4620 -5.0490 3.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0940 -7.2600 4.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2390 -6.6660 5.2320 O 0 5 0 0 0 0 0 0 0 0 0 0 2.0990 1.6470 1.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9300 2.3460 -0.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4980 2.1860 1.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9350 -0.4130 2.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4100 -2.4260 -2.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3520 1.0980 -2.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7300 2.1880 -4.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8590 0.9870 -6.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2490 -2.4770 -4.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -2.5470 3.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5990 -4.3360 -0.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3970 -6.7760 -0.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 -8.1330 1.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7240 -4.5770 4.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9680 -0.9560 -7.9380 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3300 -8.4880 3.8950 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 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 29 1 0 0 0 0 4 5 1 0 0 0 0 4 17 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 12 13 2 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 40 2 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 21 22 2 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 24 41 2 0 0 0 0 M CHG 1 16 -1 M CHG 1 25 -1 M END