IFLAB-ZINC04571086 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 59 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 0.6930 -0.4770 1.1600 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8020 -1.8240 1.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4600 -2.3530 2.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5700 -3.7220 2.5520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0240 -4.5660 1.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3670 -4.0410 0.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2500 -2.6730 0.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1640 -6.3120 1.7920 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0380 -6.8680 0.4900 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2930 -6.5350 2.6260 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1580 -6.8210 2.6480 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3950 -7.2200 1.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8190 -8.5980 2.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9100 -8.5560 3.9480 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6020 -8.2750 4.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1260 -6.8900 4.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4480 -9.7390 4.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6190 -9.9030 5.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1580 -11.0950 6.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4970 -12.0600 5.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2990 -11.8160 4.0390 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8040 -10.7080 3.6210 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0430 -13.2770 5.7280 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3240 -14.1410 4.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5590 -15.4630 4.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3460 -15.4940 6.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1240 -13.9930 6.6370 C 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 1.8880 -1.6940 3.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0820 -4.1340 3.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0580 -4.7020 -0.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2670 -2.2640 -0.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1800 -6.4930 2.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2150 -7.2750 0.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7910 -8.8610 2.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0810 -9.3420 2.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6910 -8.3040 5.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1200 -9.0240 4.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8930 -6.7270 4.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7870 -6.1300 4.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3390 -9.1220 6.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3120 -11.2740 7.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3940 -14.3380 4.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9780 -13.6590 3.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1590 -16.3140 4.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6020 -15.4460 4.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2320 -15.8730 6.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4660 -16.0820 6.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0910 -13.7120 6.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3760 -13.7820 7.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 33 1 0 0 0 0 2 34 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 35 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 37 1 0 0 0 0 9 38 1 0 0 0 0 10 11 2 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 25 26 1 0 0 0 0 25 29 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 28 29 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 M END