IBS-ZINC02152055 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 0 0 1 0 0 0 0 0999 V2000 -0.2470 2.3220 -0.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1520 0.9190 -0.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7740 0.1690 -1.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1220 0.1400 -1.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6790 -0.5680 -2.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8890 -0.5870 -3.0670 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9100 -1.2230 -3.8130 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5640 -1.2340 -3.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0570 -0.5520 -2.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4550 -0.5680 -2.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2100 -1.2610 -3.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5900 -1.9340 -4.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2160 -1.9170 -4.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4260 -2.6840 -5.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0630 0.0920 -1.5050 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3420 0.4550 -1.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8650 0.2980 -2.7690 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1270 1.0600 -0.5550 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.1720 0.3520 0.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4410 2.3460 -0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4850 1.3680 -1.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7630 1.2040 0.0320 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.9210 1.6050 -0.6880 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6270 -0.0760 0.6350 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5420 2.3860 1.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0750 3.6550 1.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9020 4.5830 2.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1960 4.2420 3.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6640 2.9730 3.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8410 2.0440 2.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0060 5.2540 4.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6380 2.8560 -1.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9670 2.2440 -1.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6970 2.8640 -0.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8720 0.9960 0.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7320 0.3840 -0.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7650 0.6590 -1.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2860 -1.2770 -3.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2530 -2.4460 -5.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6860 -2.0210 -6.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8600 -3.5340 -5.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3370 -3.0420 -5.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3960 3.0540 -0.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0080 2.7840 0.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4300 2.1180 0.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6370 1.6670 -1.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6260 3.9220 0.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3180 5.5750 2.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1120 2.7060 4.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4280 1.0510 2.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8310 5.1790 5.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0660 5.0590 4.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9850 6.2570 4.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 3 4 2 0 0 0 0 3 9 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 12 2 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 13 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 20 43 1 0 0 0 0 20 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 2 0 0 0 0 22 25 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 28 29 2 0 0 0 0 28 31 1 0 0 0 0 29 30 1 0 0 0 0 29 49 1 0 0 0 0 30 50 1 0 0 0 0 31 51 1 0 0 0 0 31 52 1 0 0 0 0 31 53 1 0 0 0 0 M END