CHEMDIV-ZINC04886335 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 53 0 0 1 0 0 0 0 0999 V2000 -0.1180 1.7980 -0.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3340 0.5210 0.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7130 0.0880 0.3790 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0690 -1.0260 1.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2540 -1.6210 1.7020 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4840 -1.5360 0.9450 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.1690 -0.7780 1.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6220 -2.8120 1.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0670 -3.3120 1.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4230 -3.6440 0.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1540 -2.4640 -0.5730 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8220 -1.8470 -0.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1120 -1.9580 -1.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9170 -0.9160 -1.9720 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3920 -2.6630 -1.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5630 -2.0590 -1.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6950 -2.9580 -1.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0480 -2.6380 -2.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9740 -3.6780 -2.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3450 -3.4430 -2.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2010 -4.4960 -2.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7520 -5.8130 -2.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4340 -6.1020 -2.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4990 -5.0570 -2.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2060 -5.2900 -1.8000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.3130 -4.3070 -1.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5720 -4.4040 -1.4650 S 0 0 0 0 0 0 0 0 0 0 0 0 -14.6490 -6.8300 -2.3760 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.0150 -6.4740 -2.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9170 2.1230 -0.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3380 1.6020 -1.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7820 2.5800 0.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3300 -0.2610 0.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1140 0.7180 1.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9540 -3.5780 1.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3580 -2.5980 2.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1700 -4.2070 2.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7380 -2.5370 2.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8140 -4.4800 -0.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4780 -3.9060 0.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8220 -0.9240 -1.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0830 -2.5370 -0.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6600 -0.9860 -1.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3620 -1.6100 -2.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7130 -2.4340 -2.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2520 -4.3110 -2.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1130 -7.1280 -1.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3620 -5.8380 -1.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1010 -5.9350 -3.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6230 -7.3780 -2.6390 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 33 1 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 8 36 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 11 13 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 15 27 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 26 2 0 0 0 0 18 19 2 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 19 24 1 0 0 0 0 20 21 2 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 22 23 2 0 0 0 0 22 28 1 0 0 0 0 23 24 1 0 0 0 0 23 47 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 28 29 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 M END