IBS-ZINC02147516 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 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 1.1770 -0.6860 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1700 -2.0960 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2300 -2.6950 -0.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -2.7950 -0.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1780 -2.1790 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2440 -0.7730 0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4870 -0.1310 0.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6330 -0.8720 0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5740 -2.2640 0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3520 -2.9160 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2990 -4.4220 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7230 -2.9870 0.0560 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9500 -2.2540 0.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1090 -3.2170 0.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9040 -4.4140 0.0810 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4380 -2.7260 0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5970 -3.4720 0.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6640 -2.6510 0.1480 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.2630 -1.3300 0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8600 -1.3110 0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1770 -0.0990 0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8860 1.0830 0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2720 1.0670 0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9610 -0.1270 0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0590 -3.0980 0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6600 -4.9780 0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4850 0.0630 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5390 0.9480 0.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5920 -0.3760 0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2760 -4.7910 1.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1810 -4.8140 -0.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4020 -4.7520 -0.5230 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9850 -1.6320 0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0120 -1.6220 -0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0970 -0.0840 0.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3590 2.0260 0.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8180 1.9990 0.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0410 -0.1280 0.1820 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3900 -3.2150 1.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6840 -2.3590 -0.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1410 -4.0540 -0.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6590 -5.3460 1.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5720 -5.3010 -0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7940 -5.3760 -0.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8100 0.2380 1.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2370 -0.5260 -0.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3530 1.0180 -0.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 2 0 0 0 0 2 8 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 10 11 2 0 0 0 0 10 34 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 28 1 0 0 0 0 20 21 1 0 0 0 0 20 27 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 24 25 2 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 M END