IBS-ZINC04819725 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 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 0.0220 -0.7720 1.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0370 -2.1680 0.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -2.0800 -0.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 -0.7810 -1.1380 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0300 -0.2780 -2.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0470 0.4630 -2.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0240 0.9620 -4.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0810 0.7230 -5.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1600 -0.0210 -4.5390 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1290 -0.5220 -3.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1090 1.2570 -6.3990 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8300 1.9040 -6.8180 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 -3.2340 -1.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -3.3170 1.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 -4.5260 0.8400 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0940 -5.5920 1.5650 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1060 -6.8320 0.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1290 -7.9850 1.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1410 -9.2230 1.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1280 -9.2720 -0.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1050 -8.0880 -0.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0890 -6.9230 -0.3590 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1400 -10.5760 -0.9500 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1620 -11.6960 -0.2580 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1280 -10.6150 -2.2670 O 0 5 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 0.0270 -0.4310 2.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9000 0.6470 -2.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8600 1.5370 -4.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0160 -0.2080 -5.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9610 -1.1010 -2.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9960 -3.5260 -2.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5320 -2.9330 -2.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5590 -4.0770 -1.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0700 -3.2380 2.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1020 -5.5220 2.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1390 -7.9100 2.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1590 -10.1310 1.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0950 -8.1230 -2.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1750 1.0260 -7.1900 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1470 1.3960 -8.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 6 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 4 5 2 0 0 0 0 4 16 1 0 0 0 0 5 6 1 0 0 0 0 5 15 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 8 32 1 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 13 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 2 0 0 0 0 13 44 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 2 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 44 45 1 0 0 0 0 M CHG 1 25 1 M CHG 1 27 -1 M END