IFLAB-ZINC04139274 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 51 0 0 1 0 0 0 0 0999 V2000 -0.7420 1.1670 -0.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0710 -0.0900 -0.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1700 -0.7110 0.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9430 -1.8620 1.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6310 -2.4140 0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5300 -1.8260 -1.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7360 -0.6840 -1.3600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6430 -0.1590 -2.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6560 0.0590 -3.3890 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6370 -0.0220 -3.2320 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8760 0.4920 -4.5820 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2250 1.3720 -4.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3190 0.9880 -4.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4260 -0.5290 -5.6930 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6440 -0.7260 -5.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1530 -1.8590 -5.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6960 -2.9970 -4.9130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6300 -4.0700 -4.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7700 -3.7250 -5.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7100 -2.1180 -6.2360 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1840 -0.8870 -8.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0370 -0.3200 -9.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6120 0.9850 -9.6250 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0450 1.8960 -8.7430 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0770 1.4450 -7.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2850 1.8700 -1.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7600 0.9330 -0.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8040 1.6870 0.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3460 -0.2920 1.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0140 -2.3220 2.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2410 -3.3020 0.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0640 -2.2640 -2.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4270 -0.2990 -2.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4810 1.8200 -3.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5570 1.3480 -5.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0400 0.2130 -4.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2650 -3.0600 -4.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4740 -5.0480 -4.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6360 -4.3430 -5.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2770 -1.8750 -8.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2370 -0.9420 -7.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5670 -0.9610 -10.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0140 -0.2790 -9.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4270 2.8750 -8.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0960 1.9960 -9.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1230 1.3890 -6.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4860 2.1310 -6.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5100 0.0450 -7.1240 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.5090 0.0740 -7.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 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 5 6 2 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 48 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 48 49 1 0 0 0 0 M CHG 1 48 1 M END