IFLAB-ZINC04159258 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 45 0 0 1 0 0 0 0 0999 V2000 0.1270 1.3140 0.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1020 0.0270 -0.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2990 -0.6460 -0.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5280 -0.0310 -0.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5460 1.2620 0.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3470 1.9310 0.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7600 -0.7830 -0.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7560 -1.9250 -0.9860 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8590 -0.0350 -0.2670 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1180 -0.6720 -0.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2570 0.2610 -0.1320 C 0 0 3 0 0 0 0 0 0 0 0 0 7.0710 0.6550 0.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6170 -0.4240 -0.2380 C 0 0 3 0 0 0 0 0 0 0 0 0 8.5670 -1.5140 -0.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1420 0.0330 -1.6040 C 0 0 3 0 0 0 0 0 0 0 0 0 8.5310 -0.5130 -2.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5880 1.4950 -1.6470 C 0 0 3 0 0 0 0 0 0 0 0 0 8.4390 1.7970 -2.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2730 1.3950 -1.0360 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2610 2.6340 -1.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6380 3.7710 -0.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4930 4.6920 -0.1320 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7270 4.1260 -0.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5830 2.8770 -0.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6260 2.0910 -1.1370 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8680 2.6120 -0.8960 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1320 3.7900 -0.4050 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4440 1.1180 -1.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0700 4.6470 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2520 5.7600 0.4160 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4630 -0.0980 -1.6610 O 0 5 0 0 0 0 0 0 0 0 0 0 9.4930 0.0550 0.7880 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3530 0.0560 0.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8050 1.8370 0.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8480 -0.4550 -0.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2650 -1.6500 -0.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4820 1.7660 0.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3670 2.9350 0.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1730 -1.6110 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1640 -0.8760 -1.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5600 3.8700 -0.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6860 1.9220 -1.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 34 1 0 0 0 0 2 3 2 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 6 38 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 19 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 32 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 31 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 20 21 1 0 0 0 0 20 24 1 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 29 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 26 27 2 0 0 0 0 26 42 1 0 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 32 33 1 0 0 0 0 M CHG 1 31 -1 M END