IBS-ZINC00151017 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 38 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 -0.7020 1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0840 1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7680 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0710 -1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6890 -1.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -4.2750 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6370 -4.9030 -0.0070 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.3220 -6.6370 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1410 -7.2150 -0.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2760 -8.4930 -0.0400 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5500 -8.8090 -0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2590 -7.6290 -0.0100 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6170 -7.4820 0.0110 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1170 -10.1740 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3180 -11.2850 0.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8880 -12.5400 0.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1660 -12.7020 -0.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9540 -11.6820 -0.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4680 -10.3920 -0.3230 C 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 -0.1670 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -2.6290 2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.6060 -2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0260 -0.1440 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5700 -4.6260 -0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5890 -4.6360 0.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9900 -7.4400 -0.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0520 -8.2220 0.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2710 -11.1610 0.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2800 -13.4040 0.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9940 -11.8610 -0.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1200 -9.5620 -0.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 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 25 1 0 0 0 0 4 5 1 0 0 0 0 4 26 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 27 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 33 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 M END