IFLAB-ZINC04850460 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 0 0 0 0 0 0999 V2000 0.0320 1.4800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0490 -0.0260 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6820 -0.7270 0.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6700 -2.1060 0.9390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0810 -2.7950 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8160 -2.0830 -0.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7920 -0.7030 -0.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5810 0.0680 -1.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0990 -4.2740 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 -4.8790 -1.0710 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2080 -4.9500 1.1400 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3260 -6.4150 1.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5720 -6.8070 1.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5030 -6.1730 3.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4610 -4.6490 3.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2190 -4.2370 2.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 -6.6470 4.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7780 -7.3120 5.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1890 -6.7010 5.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6560 -6.5620 4.0980 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2720 -6.4720 3.5440 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2340 -5.7320 2.3320 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8720 -7.7560 3.6530 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0770 -5.4450 4.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0790 -4.1110 4.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7810 -3.5180 5.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3480 -4.3710 6.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0060 -6.0220 6.1060 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8370 1.8510 0.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1710 1.8490 -1.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9260 1.8310 0.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2620 -0.1930 1.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2410 -2.6520 1.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 -2.6100 -1.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5830 0.2610 -1.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6480 -0.5140 -2.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0810 1.0150 -2.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5580 -6.8510 1.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4200 -6.7770 0.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6160 -7.8920 2.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4640 -6.4520 1.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4250 -4.2060 4.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3520 -4.3010 2.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2420 -3.1620 2.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6740 -4.4960 2.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1340 -7.0710 6.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8420 -8.3910 5.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1260 -5.7290 5.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8310 -7.3790 6.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5720 -3.5370 3.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8620 -2.4470 5.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9310 -4.0900 7.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 14 20 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 20 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 21 22 2 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 24 25 2 0 0 0 0 24 28 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 26 27 2 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 M END