CHEMSTAR-ZINC04554352 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 56 0 0 1 0 0 0 0 0999 V2000 0.3430 1.2720 -0.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1480 -0.2190 -0.0880 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6180 -0.7670 -0.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8760 -0.6180 1.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 -0.2350 2.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2950 -0.7500 2.4110 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2730 -1.8480 2.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9980 -0.1310 1.2230 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9720 0.9680 1.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3530 -0.5980 -0.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4220 -0.5150 1.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2550 -0.7500 0.6590 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5400 -0.5010 2.9100 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2790 -0.4370 3.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9560 -0.2060 4.6580 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7820 -0.5440 3.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0000 -0.3300 2.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2120 -0.3650 3.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2360 -0.6230 5.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0500 -0.8580 5.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8360 -0.8040 5.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0460 -1.1360 7.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1420 -1.6270 7.8940 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0620 -1.8490 9.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8420 -1.5550 9.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6160 -1.6920 11.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3830 -1.3830 11.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3500 -0.9240 11.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5600 -0.7730 9.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7790 -1.0730 9.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8780 -0.8750 7.8250 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.2960 -2.3810 9.9810 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1370 -3.1930 10.9450 O 0 5 0 0 0 0 0 0 0 0 0 0 1.4070 1.5050 -0.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1550 1.5510 -1.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0540 1.9080 0.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0080 -1.7090 1.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8850 -0.1880 1.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6320 -0.6680 3.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1380 0.8520 2.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8720 -0.1700 -0.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4520 -1.6870 -0.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0480 -0.1040 1.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1440 -0.1830 3.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2010 -0.6180 5.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9180 -0.9980 5.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0760 -1.8600 7.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4070 -2.0490 11.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2390 -1.5040 12.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3850 -0.6800 11.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7480 -0.4070 9.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4160 -1.9860 9.5260 O 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 1 0 0 0 0 2 4 1 0 0 0 0 2 10 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 39 1 0 0 0 0 5 40 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 2 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 19 20 2 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 31 2 0 0 0 0 23 24 2 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 32 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 48 1 0 0 0 0 27 28 1 0 0 0 0 27 49 1 0 0 0 0 28 29 2 0 0 0 0 28 50 1 0 0 0 0 29 30 1 0 0 0 0 29 51 1 0 0 0 0 30 31 1 0 0 0 0 32 33 1 0 0 0 0 32 52 2 0 0 0 0 M CHG 1 33 -1 M END