IBS-ZINC02290623 MOE2007 3D CORINA 3.40 0006 02.08.2006 34 35 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.3760 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9790 1.7530 -0.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1870 1.0840 -0.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3990 0.0300 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3950 -0.3470 0.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1900 0.3270 0.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6210 -0.6500 -0.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7750 0.0370 -0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7560 1.7490 -0.1360 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9450 -0.6220 -0.2600 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1990 0.1250 -0.3790 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0260 1.0370 -0.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2400 -0.7360 -1.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7930 -0.9920 -2.5120 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9910 -0.1870 -3.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4420 -0.7740 -4.6470 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9110 -1.9120 -4.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1120 -2.0880 -2.9670 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8260 -2.8490 -2.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7030 0.4820 0.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0780 0.1470 1.9740 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9610 1.9040 -0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8130 2.5720 -1.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9650 1.3790 -1.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5570 -1.1660 1.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5910 0.0340 1.5380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6380 -1.6170 0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9560 -1.5920 -0.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1980 -0.2160 -1.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3490 -1.6860 -0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5030 0.7640 -3.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3980 -2.6000 -4.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8450 1.1730 1.1330 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1280 1.3790 2.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 22 1 0 0 0 0 2 3 2 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 25 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 20 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 20 21 2 0 0 0 0 20 33 1 0 0 0 0 33 34 1 0 0 0 0 M END