IBS-ZINC05309976 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 0 0 0 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 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 0 0 0 0 0 0 0 0 0 0 2.8530 -2.0270 -0.0360 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -2.6870 -0.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5330 -3.7010 -1.3240 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2240 -2.1660 -0.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2640 -3.2630 -1.7240 S 0 0 0 0 0 0 0 0 0 0 0 0 7.8140 -2.4400 -1.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0180 -1.3410 -0.8810 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1070 -3.6380 -2.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3230 -0.9790 -0.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9590 -1.9380 -1.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9840 -2.8530 -2.1390 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3140 -1.8160 -2.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9960 -0.7400 -1.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3100 0.1700 -0.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0230 0.0360 -0.4680 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6940 -0.5350 -1.7940 Cl 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 -1.0200 -0.3810 0.0100 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 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 0.1910 -0.1360 -2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7410 -0.1200 -1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0750 -1.2160 0.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2380 -1.1640 -1.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6060 -2.1290 0.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8260 -2.5390 -2.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8430 1.0070 -0.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 18 1 0 0 0 0 14 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 22 2 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 M END