IBS-ZINC04085306 MOE2007 3D CORINA 3.40 0006 02.08.2006 62 62 0 0 1 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 -1.4330 -0.5340 0.0130 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9700 -0.1110 0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1350 -0.1310 -1.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 -2.0590 0.1300 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.9130 -2.3460 1.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8270 -2.5810 0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3120 -3.0400 -0.8720 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5530 -2.5360 1.2760 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9280 -3.0440 1.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5220 -2.8770 2.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8740 -3.3630 3.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9100 -3.5190 2.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5040 -3.3530 4.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6200 -1.8630 4.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2680 -1.3780 3.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2320 -1.2220 4.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6370 -1.3880 3.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2050 -1.7000 5.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5010 -2.6780 6.4940 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4000 -0.4660 6.3480 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.9700 -0.3070 7.6880 C 0 0 3 0 0 0 0 0 0 0 0 0 -9.7010 -1.0950 7.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6530 1.0580 7.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8480 1.1040 6.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6590 2.7220 6.9630 S 0 0 0 0 0 0 0 0 0 0 0 0 -13.0250 2.5860 5.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8700 -0.3980 8.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7280 -0.5780 8.3630 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 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1500 0.9560 -1.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5980 -0.5540 -2.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1580 -0.5080 -1.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1660 -2.1690 2.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5270 -2.4840 0.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9270 -4.0990 1.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5580 -3.0330 2.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8280 -4.5800 2.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4940 -3.8100 4.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8570 -3.8380 4.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3140 -0.1610 4.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5840 -1.7070 5.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6480 -0.9310 2.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2850 -0.9030 2.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1640 0.3160 5.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9990 1.2130 8.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9440 1.8410 7.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5020 0.9490 5.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5570 0.3210 7.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6250 2.3930 4.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6800 1.7650 6.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5920 3.5170 5.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6070 -3.6300 -0.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1590 -0.2800 10.0200 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6900 -2.6290 -1.0140 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1340 -2.3770 -1.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4210 -0.3450 10.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 60 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 50 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 29 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 27 28 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 29 30 2 0 0 0 0 29 59 1 0 0 0 0 58 60 1 0 0 0 0 59 62 1 0 0 0 0 60 61 1 0 0 0 0 M END