SIAL-ZINC04513846 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 1 0 0 0 0 0999 V2000 0.1160 -0.5290 -1.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8510 -1.2330 -0.7900 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.3500 -0.3620 -0.2740 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.2830 -0.5880 -1.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7890 -2.0270 -1.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1660 -2.7970 -3.1300 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.2360 -2.2390 -4.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8170 -4.1930 -3.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8940 -5.0800 -3.3360 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9470 1.3980 -0.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5960 2.0230 0.8710 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1490 1.5310 1.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8470 3.5260 0.9240 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.8970 3.7820 1.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9310 3.9610 2.0490 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4080 3.7360 3.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2830 3.0400 1.8620 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6740 2.7150 2.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1930 1.8570 1.1720 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4110 3.6110 1.1470 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9030 3.2630 -0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9740 3.9630 -0.4010 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1720 4.8190 0.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2010 4.6230 1.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0490 5.2950 2.7840 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0310 6.2140 2.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0440 6.5040 2.0800 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1360 5.8090 0.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1600 6.0990 0.0420 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6990 5.3600 1.9730 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 5.5720 2.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4410 4.1570 -0.2910 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2250 5.0790 -0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8690 -1.2480 -2.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3870 -0.1310 -2.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6390 0.2730 -1.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3190 -1.5640 0.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1490 0.0820 -1.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6860 -0.2740 -2.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6530 -2.5800 -1.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8740 -1.9820 -2.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1660 1.5690 -1.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8580 1.8790 -0.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4520 2.4950 -0.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0020 6.8000 3.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2280 5.5800 -0.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8160 6.8240 0.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0590 -4.2590 -3.4720 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.6990 -3.0340 -2.8880 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.6530 -4.0850 -3.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3660 -2.8320 -1.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0720 -2.5830 -3.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 2 0 0 0 0 2 37 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 5 40 1 0 0 0 0 5 41 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 49 1 0 0 0 0 8 9 2 0 0 0 0 8 48 1 0 0 0 0 10 11 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 19 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 32 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 30 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 20 24 1 0 0 0 0 21 22 2 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 45 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 46 1 0 0 0 0 29 47 1 0 0 0 0 30 31 1 0 0 0 0 32 33 1 0 0 0 0 49 50 1 0 0 0 0 49 51 1 0 0 0 0 49 52 1 0 0 0 0 M CHG 1 48 -1 M CHG 1 49 1 M END