IFLAB-ZINC05240838 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 44 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 0.8780 -0.6040 1.4680 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7540 -2.3420 1.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -2.8370 0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0040 -4.1980 -0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5570 -5.0830 0.7990 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2090 -4.6120 1.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3200 -3.2360 2.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0220 -2.7260 3.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1120 -1.5280 3.5100 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5640 -3.5880 4.2070 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2230 -3.1080 5.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7740 -3.8450 6.2270 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3800 -3.2300 7.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0460 -3.8070 8.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6110 -3.0140 9.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5340 -1.6240 9.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8850 -1.0430 8.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3090 -1.8360 7.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4340 -1.4070 5.7150 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0940 -0.8290 10.1970 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4090 -1.4480 11.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1230 -2.7760 11.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2400 -3.6030 10.3940 O 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 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3350 -2.1540 -0.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5050 -4.5770 -0.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4760 -6.1470 0.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6380 -5.3070 2.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4920 -4.5440 4.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1130 -4.8820 8.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8240 0.0330 8.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0650 -0.7970 12.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4920 -1.6370 12.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0350 -2.5880 10.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3680 -3.2730 12.1000 H 0 0 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 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 9 10 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 35 1 0 0 0 0 13 14 2 0 0 0 0 13 21 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 25 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 M END