IFLAB-ZINC04167053 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 1 0 0 0 0 0999 V2000 -0.6030 1.1720 1.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2380 0.0930 0.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9830 -0.5640 0.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7790 -0.0700 1.7080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4540 0.9770 2.5100 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2680 1.5730 2.2720 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4570 -1.7100 -0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6460 -2.2640 0.0370 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8180 -3.3260 -0.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7320 -3.5760 -1.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4850 -2.4540 -1.3330 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0990 -4.0980 -0.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9600 -3.8590 -2.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1210 -4.7220 -2.0900 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0640 -6.0520 -2.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0180 -6.6010 -2.7770 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4030 -6.8020 -2.2810 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7390 -6.6350 -1.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1390 -8.3110 -2.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4100 -9.1420 -2.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4340 -8.6860 -3.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7530 -7.2050 -3.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5010 -6.3090 -3.2550 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0920 -6.3220 -4.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0310 -4.8740 -3.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4790 -4.2540 -2.0440 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5460 1.6870 1.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9250 -0.2150 -0.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7420 -0.5190 1.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 2.4070 2.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6230 -4.3470 -2.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6730 -3.8320 0.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8600 -5.1640 -0.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3820 -4.0330 -2.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3200 -2.8240 -2.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0760 -4.3330 -1.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4250 -8.6490 -1.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6680 -8.5040 -3.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8270 -9.0540 -1.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1730 -10.2000 -2.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3520 -9.2750 -3.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0540 -8.8720 -4.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2760 -7.0550 -2.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4630 -6.9220 -3.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9190 -4.4690 -3.8060 O 0 5 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 27 1 0 0 0 0 2 3 2 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 7 1 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 6 30 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 23 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 25 45 1 0 0 0 0 M CHG 1 45 -1 M END