IBS-ZINC00174776 MOE2007 3D CORINA 3.40 0006 02.08.2006 38 39 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 7.1400 1.0320 0.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3580 -0.7410 0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1900 -1.0080 1.5920 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4830 -2.1170 2.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3280 -2.3630 3.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8820 -1.4960 4.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5920 -0.3840 3.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7490 -0.1450 2.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7310 -1.7360 5.6260 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4300 0.4940 -1.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6290 0.1650 -2.6650 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 8.3630 -1.6870 -0.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3000 -0.2200 -0.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0510 -2.7910 1.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7740 -3.2290 3.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0250 0.2920 4.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3060 0.7180 2.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4310 -2.2810 6.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5250 1.1860 -2.1710 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6300 1.3990 -3.1080 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 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 25 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 26 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 28 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 29 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 21 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 21 22 2 0 0 0 0 21 37 1 0 0 0 0 37 38 1 0 0 0 0 M END