IFLAB-ZINC04305397 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 45 0 0 1 0 0 0 0 0999 V2000 -1.8540 0.4880 -0.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1780 -0.6070 0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5370 -1.9450 -0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9380 -3.0170 0.6630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0480 -2.7160 1.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -1.3800 1.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2000 -0.3210 1.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2380 1.0890 1.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9140 -3.9470 2.5790 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8640 -3.4970 3.9570 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4300 -5.2660 2.2360 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5160 -3.7990 2.0460 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8430 -4.0140 0.6020 C 0 0 3 0 0 0 0 0 0 0 0 0 2.1160 -3.4510 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2320 -3.4190 0.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2490 -1.9440 0.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8080 -1.1630 -0.0950 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8260 -5.4710 0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3080 -5.8340 -1.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3110 -7.1690 -1.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8370 -8.1550 -0.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3610 -7.8080 0.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3590 -6.4730 1.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3990 -4.4070 0.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4250 1.1350 0.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1130 1.0850 -1.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5510 0.0840 -1.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3030 -2.1560 -0.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1670 -1.1580 2.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6200 1.7040 1.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9560 1.1270 2.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7210 1.5230 0.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9340 -2.8520 2.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0120 -3.9290 0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4900 -3.5250 -0.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8990 -5.0780 -1.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9040 -7.4390 -2.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8380 -9.1930 -0.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7690 -8.5730 1.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7690 -6.2140 1.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5720 -5.0040 -0.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8400 -4.8870 1.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1740 -4.3990 -0.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6880 -1.7050 1.8360 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 24 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 10 2 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 18 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 17 2 0 0 0 0 16 44 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 21 22 2 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 M CHG 1 44 -1 M END