IFLAB-ZINC04942293 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 1 0 0 0 0 0999 V2000 -0.8840 0.4000 1.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9930 -0.9870 0.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3080 -1.1590 0.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5360 -2.5860 -0.2910 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4570 -3.3200 0.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9890 -2.5860 -0.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0360 -2.5490 -2.1340 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5850 -2.9480 -1.3540 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3640 -3.5480 -1.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1090 -3.8120 -0.0620 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4120 -3.8850 -2.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7970 -4.0500 -2.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5690 -4.4150 -3.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9720 -4.6190 -4.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5870 -4.4590 -4.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1900 -4.0930 -3.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7950 -5.1280 -5.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9750 -4.6360 -6.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4170 -3.4070 -7.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6680 -2.6370 -6.9770 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -3.2560 -8.8700 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7220 -4.2260 -9.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4210 -4.3200 -10.8720 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0020 -5.4290 -8.1100 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4330 -2.1070 -9.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0660 0.5050 2.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9280 1.1760 0.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6950 0.5790 2.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1420 -1.1340 0.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9210 -1.7380 1.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1340 -0.8780 0.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3310 -0.4470 -0.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9580 -2.7230 -2.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2840 -3.9080 -1.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6400 -4.5540 -3.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0880 -4.6370 -5.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2660 -4.0170 -3.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3250 -6.0400 -5.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3110 -1.5310 -9.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9150 -2.4630 -10.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7600 -1.4590 -9.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9200 -2.6330 -0.0130 O 0 5 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 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 6 7 2 0 0 0 0 6 42 1 0 0 0 0 8 9 1 0 0 0 0 8 33 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 16 2 0 0 0 0 12 13 2 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 24 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 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 42 -1 M END