IBS-ZINC00544021 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 42 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 1.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -2.7730 -0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0190 -2.0760 -1.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6870 -1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.7720 -2.4200 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6690 -3.9510 -2.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4080 -4.2940 -3.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0230 -5.4920 -4.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7480 -6.0970 -3.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7020 -5.1680 -1.9350 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4770 -7.3570 -3.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4490 -7.9300 -4.6750 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1780 -7.8800 -2.5760 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9050 -9.1390 -2.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1780 -9.9800 -1.5040 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3220 -9.2230 -2.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4310 -3.2640 -4.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6520 -2.3880 -3.5860 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9750 -3.2080 -5.9240 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 -0.1650 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -2.6250 2.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0560 -3.8530 -0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 -0.1420 -2.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9200 -5.9000 -5.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2000 -7.4240 -1.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7060 -9.6700 -3.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8150 -9.5960 -0.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1580 -11.0640 -1.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0550 -9.8090 -2.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7120 -8.3410 -1.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9380 -3.7180 -5.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1030 -2.1670 -6.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2770 -3.6980 -6.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 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 26 1 0 0 0 0 4 5 1 0 0 0 0 4 27 1 0 0 0 0 5 6 2 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 21 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 20 1 0 0 0 0 11 12 2 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 31 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 M END