IFLAB-ZINC04077845 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 44 0 0 0 0 0 0 0 0999 V2000 -1.5470 1.0160 0.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7240 -0.2360 0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -0.6990 1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7960 -1.8480 1.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7910 -2.5370 -0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -2.0760 -1.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7390 -0.9240 -1.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -2.7710 -2.4190 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1380 -4.1140 -2.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1560 -4.7270 -1.3810 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2490 -4.8520 -3.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3980 -6.6320 -3.4160 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5160 -7.3170 -5.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4950 -6.6520 -6.1520 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5920 -7.3070 -7.2260 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7050 -8.5980 -7.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6900 -9.0290 -5.4290 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8210 -9.4840 -8.2070 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8240 -9.0180 -9.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7240 -7.8240 -9.6810 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9470 -9.9570 -10.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0620 -11.3290 -10.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1770 -12.2010 -11.4310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1800 -11.7210 -12.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0670 -10.3650 -12.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9440 -9.4780 -11.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8280 -8.1530 -12.1570 F 0 0 0 0 0 0 0 0 0 0 0 0 -0.9510 1.8820 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4300 0.9540 -0.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8550 1.1190 1.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 -0.1620 2.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3920 -2.2060 1.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3820 -3.4340 -0.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3390 -0.5650 -1.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0750 -2.2880 -3.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6410 -4.6640 -4.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1310 -4.5050 -4.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9010 -10.4360 -8.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0610 -11.7060 -9.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2660 -13.2620 -11.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2710 -12.4090 -13.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0710 -9.9970 -13.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 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 31 1 0 0 0 0 4 5 1 0 0 0 0 4 32 1 0 0 0 0 5 6 2 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 35 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 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 38 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 26 2 0 0 0 0 22 23 2 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 25 2 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 26 27 1 0 0 0 0 M END