IBS-ZINC02370840 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 0 0 0 0 0 0999 V2000 1.0880 0.4690 -0.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8380 -0.9310 -0.7240 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4540 -1.3160 -0.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7780 -2.6600 -0.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1200 -3.0070 -0.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0410 -2.0460 -0.3180 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6940 -0.7770 -0.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -0.4110 -0.5810 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6590 0.1740 -0.4560 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2330 1.5300 -0.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4900 -4.3350 -0.1700 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0890 -4.7350 -0.0080 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.1410 -6.1530 0.0800 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6190 -3.8750 0.9910 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8910 -4.3010 -1.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9760 -5.2230 -2.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6040 -4.8860 -3.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1500 -3.6190 -3.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0640 -2.6950 -2.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4390 -3.0400 -1.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7870 -3.2740 -5.0800 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.6050 -4.1560 -5.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9770 -5.6430 -4.9240 S 0 0 0 0 0 0 0 0 0 0 0 0 -8.1290 -3.8680 -6.8950 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.9470 -4.7510 -7.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2120 -5.8080 -6.9590 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.4980 -4.4490 -8.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3220 -5.3380 -9.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8730 -5.0350 -10.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7200 -5.8420 -11.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0110 -5.1460 -12.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3460 -3.9710 -12.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6680 -3.9040 -11.3550 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1600 0.6390 -0.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5760 0.8430 -1.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 0.9930 0.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0080 -3.4160 -0.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5650 1.7930 0.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7070 1.6440 -1.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1020 2.1870 -0.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8140 -5.0300 -0.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5500 -6.2080 -2.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6690 -5.6060 -4.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4870 -1.7090 -2.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3760 -2.3240 -0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6390 -2.4000 -5.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9180 -3.0260 -7.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2630 -3.5110 -9.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5560 -6.2760 -8.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0870 -6.8180 -11.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6470 -5.4870 -13.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3630 -3.2060 -13.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 11 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 11 41 1 0 0 0 0 12 13 2 0 0 0 0 12 14 2 0 0 0 0 12 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 42 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 19 44 1 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 2 0 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 28 49 1 0 0 0 0 29 30 2 0 0 0 0 29 33 1 0 0 0 0 30 31 1 0 0 0 0 30 50 1 0 0 0 0 31 32 2 0 0 0 0 31 51 1 0 0 0 0 32 33 1 0 0 0 0 32 52 1 0 0 0 0 M END