IBS-ZINC04981083 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 1 0 0 0 0 0999 V2000 -0.0960 0.7060 -0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3610 -0.7470 -0.4330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4310 -1.2470 0.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7550 -2.9750 0.7220 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.7650 -2.8640 -0.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5510 -1.6460 -1.3640 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9980 -4.0250 -1.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2710 -0.5080 2.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1900 0.8400 1.9990 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1980 -1.1680 3.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2540 -0.5910 4.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1390 -1.6760 5.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1530 -1.5120 6.7450 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0180 -2.8660 4.9290 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 -2.6560 3.4780 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8970 -3.1840 3.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2360 -3.1420 2.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4260 -2.4690 3.0940 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5840 -2.9520 2.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5150 -4.0810 1.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -4.6960 1.5100 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2460 -4.2680 2.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1180 -4.1610 5.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2690 -4.7610 5.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1260 -6.1130 6.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3590 -8.0830 7.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2250 -5.8790 7.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3760 0.5980 4.7730 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9780 0.8680 -0.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5850 0.9780 -1.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4890 1.3220 0.0750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0650 -4.1170 -2.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4610 -3.8550 -2.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6380 -4.9430 -1.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4490 -1.5890 3.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5280 -2.4530 2.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4130 -4.4640 1.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3240 -4.8000 1.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7030 -4.8350 4.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6240 -4.0240 6.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8540 -4.0870 6.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7740 -4.8980 4.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5420 -6.7870 5.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6210 -5.9760 7.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7960 -8.1230 8.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8480 -8.6760 6.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3590 -8.4850 7.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3440 -4.8690 7.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6940 -5.8400 8.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2070 -6.3280 7.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0820 1.2560 2.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4590 -6.6890 6.7660 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 9 51 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 28 2 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 23 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 21 2 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 22 38 1 0 0 0 0 23 24 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 25 52 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 26 52 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 27 52 1 0 0 0 0 M END