IBS-ZINC04062040 MOE2007 3D CORINA 3.40 0006 02.08.2006 27 27 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0160 -0.3940 -0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7720 -0.5350 1.2310 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5050 0.1940 1.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4700 -1.7870 0.6500 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8660 -2.6770 0.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5700 -1.5010 -0.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2920 -2.0920 -1.6070 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7400 -0.4960 -1.1670 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8620 -1.9560 1.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4720 -3.2450 0.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8550 -3.9560 0.0140 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1760 -0.9110 2.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5660 -2.0500 2.4410 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6360 0.1330 3.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6430 -0.1410 -2.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4940 -1.1200 0.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7820 -1.9810 2.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1570 0.9290 2.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3120 -0.3230 4.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2270 0.5480 3.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6990 -3.6040 1.1800 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0480 -4.4400 0.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 10 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 14 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 20 1 0 0 0 0 11 12 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 12 13 2 0 0 0 0 12 26 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 23 1 0 0 0 0 16 24 1 0 0 0 0 16 25 1 0 0 0 0 26 27 1 0 0 0 0 M END