IBS-ZINC04085534 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 55 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 -5.4410 -1.8350 2.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9950 -3.2910 2.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5890 -3.1240 4.0670 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8240 -4.0080 5.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9050 -5.0510 4.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3510 -3.5950 5.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7570 -3.7610 3.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4100 -3.8440 6.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3460 -3.0950 6.6090 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8920 -4.5310 7.4710 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.4610 -4.3720 8.8110 C 0 0 3 0 0 0 0 0 0 0 0 0 -7.7900 -3.3420 8.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6560 -5.3140 8.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4150 -4.7050 9.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3080 -5.0410 9.4960 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 -3.1580 -0.5080 -1.2780 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 -3.1660 -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 -7.5400 -2.6610 1.9640 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0760 -4.3330 2.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5080 -2.0820 4.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6390 -3.4190 4.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2700 -2.5520 5.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8060 -4.2250 5.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8380 -4.8040 3.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7070 -3.4670 3.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1430 -5.1310 7.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0790 -5.1960 9.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4120 -5.0730 8.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3270 -6.3450 8.8380 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 -6.7140 -4.6280 11.1500 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 -6.0100 -4.8520 11.7750 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 31 1 0 0 0 0 2 32 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 33 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 53 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 36 1 0 0 0 0 11 12 1 0 0 0 0 11 37 1 0 0 0 0 11 38 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 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 18 1 0 0 0 0 16 20 1 0 0 0 0 18 19 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 19 45 1 0 0 0 0 19 46 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 47 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 27 2 0 0 0 0 26 52 1 0 0 0 0 51 53 1 0 0 0 0 52 55 1 0 0 0 0 53 54 1 0 0 0 0 M END