IBS-ZINC02338908 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 41 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2020 -0.6380 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3680 0.0990 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6000 -0.5550 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6530 -1.9590 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4680 -2.6900 0.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2540 -2.0340 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0990 -2.7520 -0.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2200 -4.1750 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9840 -2.3210 0.0370 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3120 -3.2340 0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7740 -1.2040 0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9980 -0.0940 0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4650 1.3130 0.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7690 1.6380 0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9030 3.3940 0.0870 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.1470 3.5310 0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6220 2.3440 0.0650 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4370 4.7200 0.0710 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1510 6.0000 0.0850 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1550 7.1310 0.0820 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2190 8.0570 -0.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3270 1.1790 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5000 -3.7690 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7730 -4.6250 -0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7530 -4.5020 0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7740 -4.4850 -0.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8540 -1.2060 0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5940 0.9400 0.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4670 4.7060 0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7850 6.0720 -0.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7680 6.0620 0.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3880 7.1770 0.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9860 8.0110 -1.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5060 8.8680 -0.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 14 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 2 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 17 18 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 34 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 22 23 2 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 M END