IBS-ZINC04837034 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 0 0 0 0 0 0999 V2000 0.0760 1.0080 -1.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3920 1.1570 -0.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7000 0.4490 -0.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7180 -0.8940 0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9310 -1.5540 0.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1430 -0.8800 0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1300 0.4560 -0.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9160 1.1160 -0.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4220 -1.5600 0.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9070 -1.9570 1.5170 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1890 -2.6450 1.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4150 -2.9170 2.9580 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3220 -2.4350 3.6710 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3510 -1.8270 2.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2910 -1.3010 3.1650 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3110 -2.6070 5.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2580 -2.1380 5.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2650 -2.3320 7.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3260 -2.9920 7.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4010 -3.4590 7.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3720 -3.2660 5.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5800 -4.1650 7.7240 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1720 -3.5960 8.6920 O 0 5 0 0 0 0 0 0 0 0 0 0 -6.2040 -3.2410 9.5910 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -8.1270 -2.9980 0.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0260 1.5310 -2.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2250 -0.0450 -2.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6530 1.4300 -2.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3720 0.7620 0.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4970 2.2200 -0.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7870 -1.4340 0.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9180 -2.5950 0.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0600 0.9970 -0.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9260 2.1560 -0.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9810 -1.7180 -0.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4060 -1.6200 5.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4240 -1.9680 7.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2090 -3.6500 5.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6310 -3.6640 -0.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0070 -3.5080 1.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4530 -2.0900 0.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9100 -5.2640 7.1790 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 34 1 0 0 0 0 9 10 2 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 12 2 0 0 0 0 11 25 1 0 0 0 0 12 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 36 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 42 2 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 M CHG 1 23 -1 M END