IFLAB-ZINC04941733 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 45 0 0 0 0 0 0 0 0999 V2000 0.0790 1.3680 -0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1280 -0.0100 -0.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3510 -0.6600 -0.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5270 0.0720 -0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4810 1.4510 -0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2560 2.1040 -0.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 3.5040 -0.0500 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0100 4.3040 0.6980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6330 5.6060 0.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5860 5.5870 -0.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3300 4.3260 -0.7590 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 6.9490 -0.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3490 8.1120 -0.3200 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0700 6.9850 0.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0280 3.8840 1.5490 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3800 4.6440 2.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7470 5.6440 2.8700 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5500 4.2550 3.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1290 3.2100 3.2350 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9640 5.0660 4.4410 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1600 4.8620 5.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2150 6.0210 6.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7410 6.5040 6.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2940 6.3060 4.8720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3980 -2.0090 -0.2680 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.8750 1.8750 -0.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7870 -0.5830 -0.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4790 -0.4360 -0.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3980 2.0220 -0.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1350 7.0050 -1.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8950 7.1550 -0.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6640 7.2000 1.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1570 7.0620 0.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4830 3.0430 1.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0890 3.9100 5.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0520 4.8760 4.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5410 5.6630 7.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8680 6.8180 5.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1530 5.8830 7.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6840 7.5540 6.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 7.1460 4.2590 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2120 6.1920 4.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 26 1 0 0 0 0 2 3 2 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 4 5 2 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 2 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 14 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 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 M END