IBS-ZINC04870970 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 50 0 0 1 0 0 0 0 0999 V2000 0.7260 1.8290 -0.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3970 0.4860 -0.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3890 -0.4630 -0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7100 -0.0700 -0.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0380 1.2710 -0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0460 2.2210 -0.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4520 1.6920 0.0420 N 0 3 0 0 0 0 0 0 0 0 0 0 5.3260 0.8550 0.1830 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7410 2.8740 0.0040 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0310 -1.9260 -0.1040 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8410 -2.4940 0.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7630 -2.4400 -1.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5600 -2.8890 -1.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1300 -2.6710 -0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2630 -2.9550 0.1850 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2070 -2.1160 0.6580 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4060 -1.7580 2.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9200 -0.3200 2.1580 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2500 0.3560 1.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0550 0.1080 3.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3290 0.9800 3.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8140 0.9770 2.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2570 -0.2280 1.6210 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1470 -3.3750 -2.4550 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6530 -2.4600 -2.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8620 -1.8660 -2.4480 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2950 -3.1040 -3.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3920 -2.5550 -5.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9760 -3.4020 -6.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5510 -4.6040 -5.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6610 -4.7380 -3.9110 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.0490 2.5700 -0.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6340 0.1800 -0.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4850 -0.8120 0.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3020 3.2700 -0.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1350 -2.4340 2.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5410 -1.8410 2.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1780 -0.7660 4.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1870 0.6900 3.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0830 0.5390 4.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0920 1.9950 3.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9020 0.9490 2.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4360 1.8540 1.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4110 -1.9330 -3.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7590 -1.5560 -5.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9890 -3.1220 -7.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 -5.3850 -6.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 32 1 0 0 0 0 2 3 2 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 2 0 0 0 0 4 34 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 35 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 12 13 1 0 0 0 0 12 25 2 0 0 0 0 13 14 1 0 0 0 0 13 24 2 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 23 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 25 26 1 0 0 0 0 25 27 1 0 0 0 0 26 44 1 0 0 0 0 27 28 2 0 0 0 0 27 31 1 0 0 0 0 28 29 1 0 0 0 0 28 45 1 0 0 0 0 29 30 2 0 0 0 0 29 46 1 0 0 0 0 30 31 1 0 0 0 0 30 47 1 0 0 0 0 M CHG 1 7 1 M CHG 1 9 -1 M END