IBS-ZINC05271486 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 0 0 0 0 0 0999 V2000 0.1310 1.8520 -0.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1720 0.3340 -0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1460 -0.2440 -0.1260 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0020 -0.6130 -1.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1250 -1.1090 -0.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1760 -1.5630 -1.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0130 -1.4810 -2.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0260 -1.9140 -3.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8560 -1.8290 -4.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6680 -1.3210 -5.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6680 -0.8780 -4.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8080 -0.9500 -3.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7940 -0.5110 -2.4470 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4830 -1.1910 -6.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8420 -0.9930 0.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6300 -0.4630 1.1110 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7270 -1.3860 1.8990 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5030 -1.2950 3.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5040 -0.8620 3.8270 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7090 -1.8260 4.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5480 -1.7690 5.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7900 -2.3160 6.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7490 -2.3130 7.7800 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7000 -1.8600 8.3130 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1410 2.2570 -0.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4830 2.2150 -1.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2910 2.2530 0.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6030 -0.0570 -1.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7950 -0.0190 0.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0850 -1.9630 -0.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9570 -2.3180 -3.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6540 -2.1610 -5.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7460 -0.4640 -4.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8290 -0.2090 -7.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4300 -1.3090 -7.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0450 -1.9650 -7.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6070 -1.7690 1.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5850 -1.2390 3.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8780 -2.8640 3.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6640 -2.3450 5.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3680 -0.7330 5.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6670 -1.7330 5.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9610 -3.3520 5.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7940 -2.7730 8.3250 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 16 1 0 0 0 0 4 5 1 0 0 0 0 4 13 2 0 0 0 0 5 6 2 0 0 0 0 5 15 1 0 0 0 0 6 7 1 0 0 0 0 6 30 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 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 24 2 0 0 0 0 23 44 1 0 0 0 0 M CHG 1 44 -1 M END