PUBCHEM-ZINC05537717 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -0.7300 1.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -2.4330 0.6710 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 -2.0120 -0.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 -0.7140 -1.1170 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.0290 -0.1160 -2.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1290 -0.2710 -3.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1100 0.3230 -4.3830 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0780 1.0580 -4.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9770 1.2380 -4.0050 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0510 0.6840 -2.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1480 0.8780 -2.0040 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3280 1.7620 -2.5120 S 0 0 0 0 0 0 0 0 0 0 0 0 4.4110 1.6530 -1.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3700 0.6290 -1.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2050 0.5500 0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1130 1.4770 1.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1700 2.4940 0.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3240 2.5940 -0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3220 3.6820 -0.1480 N 0 3 0 0 0 0 0 0 0 0 0 0 3.2430 4.5620 0.8290 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5100 3.7700 -1.1810 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.1150 1.7120 -6.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 -0.1870 2.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4120 -0.0230 3.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4070 0.4920 4.3480 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0210 -2.7170 -1.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9780 -0.8680 -2.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1920 0.4670 -1.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4460 -0.0950 -1.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9420 -0.2380 0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7780 1.4070 1.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1040 3.2120 1.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5640 2.7010 -6.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 1.8050 -6.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7080 1.1010 -6.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5570 -0.8800 3.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 0.7810 2.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9420 0.6700 2.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9140 -0.9900 3.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2890 0.6220 4.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 24 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 18 19 2 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 26 27 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 M CHG 1 6 1 M CHG 1 21 1 M CHG 1 23 -1 M END