CHEMBRIDGE-ZINC02818220 MOE2007 3D CORINA 3.40 0006 02.08.2006 35 35 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 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 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1350 -0.1310 -1.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5100 -0.6380 -1.2750 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3230 -0.4030 -2.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7490 0.4880 -3.6690 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.5870 -0.8700 -2.3150 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4000 -0.6340 -3.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9930 -0.0020 -4.3180 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7860 -1.1460 -3.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6310 -0.9040 -4.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9240 -1.3840 -4.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3840 -2.1040 -3.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5520 -2.3480 -2.2550 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2550 -1.8780 -2.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4190 -1.6200 0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9700 -0.1110 0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1500 0.9560 -1.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5980 -0.5540 -2.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8340 -1.1430 -0.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9120 -1.3750 -1.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2730 -0.3420 -5.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5790 -1.1980 -5.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3980 -2.4780 -3.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9180 -2.9100 -1.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6060 -2.0720 -1.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 21 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 15 16 2 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 M END