PUBCHEM-ZINC05988548 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 53 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 0.0230 -0.7010 1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0840 1.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -2.7720 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0750 -1.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6880 -1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -2.7500 -2.3850 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -4.1770 -2.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0330 -4.7560 -3.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -6.5640 -3.6440 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0490 -6.9540 -5.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0620 -8.2150 -5.8820 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 -9.0460 -5.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 -8.0850 -7.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0490 -8.9720 -8.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 -8.4750 -9.5700 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0080 -7.1720 -9.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 -6.2980 -8.7990 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0240 -6.7060 -7.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0210 -6.0730 -6.3380 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0170 -4.8650 -9.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3910 -4.3280 -9.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1330 -4.3270 -10.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4240 -3.8350 -10.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9740 -3.3420 -9.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2320 -3.3420 -7.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9380 -3.8300 -7.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0710 -10.3420 -8.1220 N 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 0.0250 -0.1650 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -2.6260 2.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 -3.8520 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1430 -2.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9380 -4.5020 -1.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8420 -4.5280 -1.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8670 -4.4310 -4.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9130 -4.4060 -4.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0070 -6.8110 -10.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4640 -4.7090 -10.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6070 -4.3430 -8.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7030 -4.7120 -11.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0040 -3.8350 -11.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9830 -2.9580 -9.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6610 -2.9570 -7.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3570 -3.8270 -7.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0850 -10.6920 -7.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 -10.9500 -8.8780 H 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 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 5 6 2 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 21 2 0 0 0 0 13 14 1 0 0 0 0 13 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 29 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 26 27 2 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 27 47 1 0 0 0 0 28 48 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 M CHG 1 19 1 M END