IFLAB-ZINC04315430 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 45 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 -0.6990 1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0780 1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -2.7730 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -2.0660 -1.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6860 -1.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -4.2510 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 -5.0680 1.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0950 -6.3360 0.6320 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0830 -6.3550 -0.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0550 -5.0720 -1.1360 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -4.7880 -2.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0940 -7.8010 -1.6880 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1230 -9.0770 -0.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1360 -10.4600 -1.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1600 -11.4920 -0.0210 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1740 -12.7950 -0.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1680 -13.1130 -1.5390 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1980 -13.8360 0.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2140 -15.1870 0.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2350 -16.1550 1.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2420 -15.7890 2.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2270 -14.4490 3.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2110 -13.4740 2.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2640 -16.7410 3.6040 F 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 -0.1600 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -2.6200 2.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -2.5970 -2.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 -0.1380 -2.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0870 -4.7510 2.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0170 -8.9570 0.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7630 -8.9810 0.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7580 -10.5800 -1.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0220 -10.5560 -1.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1650 -11.2380 0.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2080 -15.4730 -0.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2470 -17.1990 1.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -14.1700 4.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2040 -12.4300 2.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 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 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 18 19 2 0 0 0 0 18 20 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 26 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 M END