IFLAB-ZINC04071605 MOE2007 3D CORINA 3.40 0006 02.08.2006 39 39 0 0 1 0 0 0 0 0999 V2000 0.5830 1.0070 -0.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2960 -0.4810 0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8060 -0.8960 1.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2130 -0.7500 -0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6400 -2.2280 -0.0360 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.2620 -2.7410 0.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2000 -2.1900 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7560 -2.4470 -1.0970 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2030 -2.9650 -1.2310 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -3.6280 -1.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8540 -3.7010 -0.5060 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1260 -4.2730 -2.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3870 -4.9060 -2.9060 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6360 -5.5170 -4.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8970 -6.1160 -4.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2910 -6.7770 -5.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4060 -6.8350 -6.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1410 -6.2420 -6.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7600 -5.5830 -5.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8060 -7.5240 -7.6710 N 0 3 0 0 0 0 0 0 0 0 0 0 3.9350 -8.0340 -7.7050 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9930 -7.5590 -8.6070 O 0 5 0 0 0 0 0 0 0 0 0 0 1.6560 1.2140 -0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2640 1.3200 -1.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 1.6290 0.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8540 -1.0350 -0.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2570 -0.3820 2.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7070 -1.9720 1.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8680 -0.6480 1.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7490 -0.1850 0.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5370 -0.3220 -1.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9210 -2.9680 -1.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6830 -5.0090 -2.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0080 -3.4780 -3.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5780 -6.0650 -3.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2780 -7.2320 -5.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4420 -6.2800 -7.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2280 -5.1330 -5.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7100 -1.9240 1.1410 O 0 5 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 4 1 0 0 0 0 2 26 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 39 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 M CHG 1 20 1 M CHG 1 22 -1 M CHG 1 39 -1 M END