IBS-ZINC02114045 MOE2007 3D CORINA 3.40 0006 02.08.2006 33 34 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5370 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8690 -0.3900 -0.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2900 -0.5670 -0.6120 C 0 0 3 0 0 0 0 0 0 0 0 0 2.2540 0.5420 -1.0740 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1000 0.7740 -2.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7700 1.9660 -0.0040 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7080 0.1400 -0.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6420 1.2030 -1.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0960 0.8000 -1.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0300 1.8640 -1.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4620 1.4670 -1.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7090 0.4400 -0.8790 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9100 -1.3210 0.4890 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1310 -1.2270 1.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4040 -1.7570 2.6360 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0150 -0.4960 1.3890 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9790 -1.4380 -1.7020 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5160 1.9220 -0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4990 1.9120 0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8760 0.0550 0.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9090 -0.8200 -1.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4740 1.2880 -2.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4410 2.1630 -0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2640 0.7160 -0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2970 -0.1590 -1.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8620 1.9480 -2.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8290 2.8230 -1.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7470 -1.8070 0.4370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6670 -0.3190 2.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4460 -2.2050 -1.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4620 2.2560 -1.8880 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3630 1.9590 -1.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 7 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 17 1 0 0 0 0 4 5 1 0 0 0 0 4 14 1 0 0 0 0 4 18 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 8 9 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 10 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 13 2 0 0 0 0 12 32 1 0 0 0 0 14 15 1 0 0 0 0 14 29 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 30 1 0 0 0 0 18 31 1 0 0 0 0 32 33 1 0 0 0 0 M END