IBS-ZINC05219633 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 46 0 0 1 0 0 0 0 0999 V2000 0.0780 1.8340 0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0200 0.3080 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6860 -0.2670 1.2550 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2680 0.1830 2.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4810 -1.7820 1.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1180 0.0300 1.1790 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8740 0.0960 2.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2840 -0.1140 3.5040 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9780 -0.0590 4.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3400 0.2220 4.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9250 0.4360 3.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1680 0.3600 2.2480 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2780 0.7190 3.2400 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4960 2.0450 2.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9950 2.3520 2.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4770 -0.0140 2.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9780 -0.3210 2.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1290 1.6110 1.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1480 0.2920 5.8240 N 0 3 0 0 0 0 0 0 0 0 0 0 5.6910 -0.7100 6.2550 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2700 1.3520 6.4120 O 0 5 0 0 0 0 0 0 0 0 0 0 2.3530 -0.2790 5.8560 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1270 2.1310 0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4240 2.2440 -0.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3980 2.2160 0.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0690 0.0110 0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4560 -0.0740 -0.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8980 -2.2320 0.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9840 -2.1920 2.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5850 -2.0030 1.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5370 0.1820 0.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1080 2.0540 1.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9780 2.7990 3.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1610 3.3220 2.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3770 2.3700 3.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8640 -0.0230 3.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9940 -0.7690 1.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8120 -1.2920 2.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5960 -0.3390 1.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5650 1.6630 2.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2630 2.5680 1.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6220 0.8260 1.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4040 -0.4740 5.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2370 6.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6950 1.3110 1.8560 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 28 1 0 0 0 0 5 29 1 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 31 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 22 1 0 0 0 0 10 11 2 0 0 0 0 10 19 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 16 45 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 18 45 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 M CHG 1 19 1 M CHG 1 21 -1 M END