PUBCHEM-ZINC04794568 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 45 0 0 1 0 0 0 0 0999 V2000 -0.0270 1.5280 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1490 0.0150 -0.1490 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2040 -0.2760 -0.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5040 -0.6190 1.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5270 -1.3270 0.8540 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5050 -0.4720 -1.3770 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 -0.3050 -2.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0300 0.2800 -2.9190 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9260 -0.8810 -3.7570 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3670 -1.8240 -3.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0260 0.1400 -4.0970 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0280 -0.3850 -5.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3580 0.8320 -5.4110 S 0 0 0 0 0 0 0 0 0 0 0 0 5.3010 -0.0880 -6.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0530 -1.1580 -4.8920 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2640 -2.1310 -5.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2120 -2.9030 -5.8460 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7400 -2.1010 -6.7330 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6190 -3.0780 -7.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7910 -2.9100 -8.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7840 -1.8980 -9.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8790 -1.7230 -10.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9930 -2.5520 -10.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0150 -3.5550 -9.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9210 -3.7320 -8.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0230 1.8370 0.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4750 2.0340 -0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8980 0.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 -0.9840 -1.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5620 1.0640 -4.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5570 0.4070 -3.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4760 -1.3200 -4.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5360 -0.5620 -6.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1700 0.5020 -6.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6520 -1.0360 -6.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6860 -0.2780 -7.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7860 -0.5950 -4.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3160 -2.9310 -8.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6160 -4.0860 -7.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 -1.2370 -9.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8660 -0.9380 -11.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8470 -2.4130 -11.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8870 -4.1970 -9.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9580 -4.5120 -7.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0520 -0.3680 2.2260 O 0 5 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 4 1 0 0 0 0 2 6 1 0 0 0 0 4 5 2 0 0 0 0 4 45 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 19 39 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 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 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 24 43 1 0 0 0 0 25 44 1 0 0 0 0 M CHG 1 45 -1 M END