CHEMSTAR-ZINC04066585 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 49 0 0 1 0 0 0 0 0999 V2000 0.9080 -5.2140 0.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5740 -3.7580 0.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4070 -2.8650 0.5400 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7760 -3.6000 0.5040 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2290 -2.2410 0.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7280 -2.2350 0.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6080 -1.6900 1.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9460 -1.7600 1.0480 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5580 -2.6550 0.0900 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.5480 -3.6980 0.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8840 -1.8850 0.3520 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.2000 -1.1800 -0.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0790 -1.1840 1.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3460 -0.4030 2.3790 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0330 -2.6890 0.8310 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.4610 -3.8430 0.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9640 -4.3300 -0.7980 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6320 -4.5210 0.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2630 -3.7640 1.7710 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.3700 -4.3880 2.3570 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.9570 -3.4820 3.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9700 -5.9210 0.6470 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2900 -6.9250 1.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5460 -8.1620 1.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3990 -8.1330 -0.6200 S 0 0 0 0 0 0 0 0 0 0 0 0 -9.9910 -6.4730 -0.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8730 -9.2870 1.7380 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.7800 -2.3680 -1.5190 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.1310 -2.8630 -0.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0890 -0.9370 2.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4750 0.1420 2.3050 O 0 5 0 0 0 0 0 0 0 0 0 0 1.9950 -5.3380 0.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -5.7550 1.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5080 -5.6160 -0.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9390 -1.8900 1.6300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7490 -1.6090 -0.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5640 -2.4010 1.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2400 -3.2220 4.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2940 -2.5780 2.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8210 -3.9680 3.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3220 -6.7390 2.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7880 -5.9840 -1.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9770 -9.3340 2.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0390 -10.1570 1.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4210 -2.5690 -1.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1020 -3.9550 -0.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3040 -1.5290 3.6430 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 7 2 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 28 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 13 14 2 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 26 2 0 0 0 0 23 24 2 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 26 42 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 28 29 1 0 0 0 0 29 45 1 0 0 0 0 29 46 1 0 0 0 0 30 31 1 0 0 0 0 30 47 2 0 0 0 0 M CHG 1 31 -1 M END