IFLAB-ZINC04369999 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 28 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 0.0230 -0.7230 1.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -2.0480 1.1760 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0370 -2.6610 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0530 -3.8800 -0.0660 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -1.9430 -1.1510 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 -2.4050 -2.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -0.6570 -1.1310 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0270 -0.0560 2.4310 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0460 -0.7240 3.5340 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -0.0790 4.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0700 -0.7940 5.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0770 -0.2370 7.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0980 -1.3120 8.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1050 -2.4660 7.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0830 -2.1410 6.0160 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1280 -3.8500 7.8400 N 0 3 0 0 0 0 0 0 0 0 0 0 0.1430 -4.0580 9.1400 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1330 -4.8720 7.0090 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 0.0140 0.9140 2.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0360 1.0010 4.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0670 0.8060 7.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1090 -1.2750 9.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 3 1 0 0 0 0 2 9 2 0 0 0 0 3 4 2 0 0 0 0 3 10 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 10 11 1 0 0 0 0 10 24 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 25 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 26 1 0 0 0 0 15 16 2 0 0 0 0 15 27 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M END