IFLAB-ZINC04249086 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 46 0 0 0 0 0 0 0 0999 V2000 -0.0070 1.3710 0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 -0.0080 0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2120 -0.6840 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3910 0.0280 -0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3750 1.4060 -0.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1740 2.0870 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1540 3.5700 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2220 4.3810 -0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7600 5.6930 -0.0510 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4300 5.6160 0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0630 4.3500 0.2070 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2600 7.2410 0.2850 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3040 8.1340 0.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3450 7.0290 -0.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2310 -2.0820 -0.0200 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1760 -2.7660 -0.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7490 -2.1700 -1.0220 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1450 -4.2410 -0.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9460 -4.9520 -0.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9680 -6.3280 -0.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0870 -7.0040 -0.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1710 -6.3050 0.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2090 -4.9280 0.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -8.7620 -0.1270 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9100 -9.1140 0.9480 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3180 -9.1390 -0.1840 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7560 -9.3550 -1.5030 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9400 1.8960 0.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9020 -0.5630 0.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3210 -0.5000 -0.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2920 1.9590 -0.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2430 4.0710 -0.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2530 8.7550 -0.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5370 8.7420 0.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1030 7.1320 0.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8220 7.1440 -1.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0030 -2.5600 0.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7700 -4.4260 -1.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8110 -6.8800 -1.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9910 -6.8380 0.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0580 -4.3840 0.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2260 -10.2030 -1.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7010 -8.8530 -2.3320 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 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 15 1 0 0 0 0 4 5 2 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 32 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 13 14 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 16 17 2 0 0 0 0 16 18 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 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 24 25 2 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 M END