CHEMDIV-ZINC04971518 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7630 -2.0410 1.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4790 -2.5340 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 -2.0270 -1.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -0.4980 -1.2570 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1910 -0.1360 -2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0930 0.0100 -1.2670 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8120 0.4210 -2.7010 S 0 0 0 0 0 0 0 0 0 0 0 0 4.1090 0.9020 -2.3750 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5870 -0.6650 -3.5890 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9230 1.7930 -3.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3010 3.0840 -3.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6070 4.1590 -3.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5160 3.9550 -4.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1450 2.6580 -4.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8480 1.5830 -4.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0510 2.7130 -5.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3320 4.2140 -5.8140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3140 4.8950 -5.0100 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1940 6.2320 -4.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6850 6.7000 -4.1940 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1540 7.1440 -5.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8840 8.6380 -5.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8190 8.5260 -4.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4870 7.3440 -4.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2900 -2.4020 2.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2600 -2.4180 1.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5020 -2.1570 -0.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4940 -3.6240 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2490 -2.3790 -2.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2840 -2.4050 -1.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5810 0.1040 -0.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1430 3.2490 -2.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9080 5.1640 -3.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5540 0.5760 -4.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8130 2.2520 -6.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9080 2.2180 -5.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2350 4.4930 -6.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3290 4.4590 -5.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2720 6.8890 -6.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1500 8.8580 -5.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2690 9.2860 -6.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3070 8.2440 -3.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4760 9.3880 -4.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3090 7.6380 -5.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7460 6.5180 -4.2010 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 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 38 1 0 0 0 0 7 39 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 40 1 0 0 0 0 11 12 2 0 0 0 0 11 13 2 0 0 0 0 11 14 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 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 M END