IBS-ZINC05255237 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 44 0 0 0 0 0 0 0 0999 V2000 -0.0070 1.3850 0.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 0.3130 -0.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2150 -0.2600 -0.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3840 0.2940 -0.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4080 1.3600 0.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1850 1.9220 0.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7800 1.6040 0.7590 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5070 0.6750 0.0260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6510 -0.1190 -0.6850 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9080 0.6470 0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4770 1.6110 0.8350 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6980 2.4740 1.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3600 2.5380 1.5470 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7230 -0.2350 -0.6360 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1200 0.1360 -0.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0700 -1.0020 -0.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2290 -2.6540 -0.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2570 -1.5090 -1.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6440 -3.4190 -0.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6130 -4.2830 -2.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4590 -3.3950 -3.3610 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6060 -3.9290 -4.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9590 1.8110 0.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9310 -0.0830 -0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2400 -1.0900 -1.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1640 2.7570 1.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2240 3.2060 2.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2310 0.3540 -1.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4360 1.0400 -0.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0920 -0.7680 -0.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0530 -1.1950 0.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2110 -2.8690 0.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9690 -3.5590 -1.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2810 -1.8070 -0.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1630 -1.4160 -2.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3980 -3.9640 -0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6340 -2.9620 -0.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5390 -4.8540 -2.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7620 -4.9700 -2.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6570 -2.2850 -1.1870 N 0 3 0 0 0 0 0 0 0 0 0 0 8.7070 -2.1400 -2.2190 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 23 1 0 0 0 0 2 3 2 0 0 0 0 2 24 1 0 0 0 0 3 4 1 0 0 0 0 3 25 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 13 2 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 27 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 17 40 1 0 0 0 0 18 34 1 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 19 37 1 0 0 0 0 19 40 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 40 41 1 0 0 0 0 M CHG 1 40 1 M END