IFLAB-ZINC01805658 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 52 0 0 1 0 0 0 0 0999 V2000 0.2560 0.9980 0.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1650 -0.4820 0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8880 -0.8040 -1.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7930 -2.2930 -1.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4560 -2.6060 -2.6740 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8320 -2.8520 -2.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8510 -2.8570 -1.8930 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1450 -3.1440 -2.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3980 -3.4410 -3.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3450 -3.4010 -4.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0920 -3.1090 -4.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9210 -3.0290 -4.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9010 -3.2340 -6.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1220 -3.5230 -6.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3220 -3.6050 -6.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8430 -2.7030 -3.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3270 -2.5520 -4.2270 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0860 -3.7550 -4.1910 S 0 0 0 0 0 0 0 0 0 0 0 0 7.2730 -3.1890 -5.5140 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9350 -3.2940 -3.1070 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2460 -5.4290 -4.3050 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5970 -6.1900 -5.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1750 -7.5810 -5.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3470 -7.7330 -3.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2930 -6.3090 -3.0950 C 0 0 3 0 0 0 0 0 0 0 0 0 8.2190 -6.1040 -2.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0810 -6.2250 -2.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9540 -6.4900 -2.6590 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2990 1.3100 0.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1990 1.6080 -0.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2680 1.2060 1.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 -1.0650 1.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8910 -0.7680 0.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4550 -0.2150 -1.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9400 -0.5050 -1.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2200 -2.9080 -0.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2630 -2.5730 -1.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6770 -2.6640 -0.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9560 -3.1720 -1.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9790 -3.1720 -6.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1520 -3.6880 -7.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2380 -3.8280 -6.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5110 -6.2020 -5.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8530 -5.7990 -6.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -8.3600 -5.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1560 -7.6480 -5.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5810 -8.3990 -3.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3140 -8.2020 -3.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3550 -5.8900 -0.9590 O 0 5 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 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 16 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 38 1 0 0 0 0 8 9 2 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 9 18 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 14 2 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 2 0 0 0 0 18 19 2 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 2 0 0 0 0 27 49 1 0 0 0 0 M CHG 1 49 -1 M END