PUBCHEM-ZINC05766471 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 46 0 0 1 0 0 0 0 0999 V2000 1.0380 1.1460 -0.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5750 -0.2180 -0.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4480 -0.5590 1.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 -1.8220 1.4400 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1050 -2.9600 0.5480 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1220 -3.3160 0.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6020 -3.7530 1.6860 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0160 -4.5980 2.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3800 -2.4610 2.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6060 -2.1290 3.6740 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0230 -4.1320 1.4750 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7570 -3.5250 1.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3680 -5.2850 0.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5180 -6.0800 0.3830 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8670 -5.4340 0.4570 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.0380 -4.7930 -0.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8000 -5.0210 1.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8900 -5.7870 2.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7410 -5.4100 3.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4850 -4.2620 3.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4030 -3.5060 2.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5760 -3.8540 1.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2130 -2.4140 2.5440 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8110 -2.5670 3.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3630 -3.7460 4.5500 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8490 -2.5330 -0.9350 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2430 -1.1410 -1.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6950 0.4980 2.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7960 0.3660 2.8220 O 0 5 0 0 0 0 0 0 0 0 0 0 1.4200 1.7740 0.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8510 1.0400 -1.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2130 1.6810 -1.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2920 -6.6910 2.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8130 -5.9990 4.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5350 -3.2320 0.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5670 -1.6850 4.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8990 -2.6220 3.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2750 -0.5800 -2.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 -1.5360 -1.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1390 -6.8220 0.0480 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4020 -7.1220 -0.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0160 -6.8540 -0.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2060 1.3770 2.3340 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 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 26 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 9 10 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 40 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 33 1 0 0 0 0 19 20 1 0 0 0 0 19 34 1 0 0 0 0 20 21 2 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 35 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 26 27 1 0 0 0 0 27 38 1 0 0 0 0 27 39 1 0 0 0 0 28 29 1 0 0 0 0 28 43 2 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 M CHG 1 29 -1 M END