IFLAB-ZINC04341954 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 51 0 0 0 0 0 0 0 0999 V2000 0.1420 1.2510 0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0070 -0.0810 0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3050 -0.8120 0.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3200 -1.6920 -1.1010 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8060 -2.9840 -0.8950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3420 -3.3990 0.1620 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8720 -3.7870 -2.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3700 -3.3530 -3.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2940 -4.3880 -4.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6440 -4.5270 -5.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4120 -5.7490 -6.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8420 -6.8180 -5.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4850 -6.7040 -4.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7220 -5.4790 -3.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4750 -5.0850 -2.2420 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0620 -5.6680 -1.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8590 -2.0630 -3.4300 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8090 -1.3130 -2.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4150 0.3420 -2.5490 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.0080 0.3250 -4.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5560 1.7010 -4.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9080 2.9280 -6.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8470 2.9500 -7.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4130 2.5470 -8.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1060 1.4710 -7.1690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1250 1.7070 0.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7140 1.9140 0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9020 -0.6940 0.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4110 -1.4100 0.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1560 -0.1250 0.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0890 -3.6970 -6.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6800 -5.8650 -7.2610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6700 -7.7590 -6.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0410 -7.5400 -3.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1790 0.0540 -4.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7950 -0.4300 -4.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3860 1.9870 -3.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7850 2.4790 -4.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3950 3.7880 -5.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9200 2.8260 -6.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5400 2.2130 -8.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0940 3.9310 -8.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2680 2.1910 -9.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7460 3.4050 -8.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2690 0.4610 -7.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0930 1.5690 -6.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1220 1.6820 -6.0570 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.7890 0.8980 -6.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 18 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 7 15 1 0 0 0 0 8 9 1 0 0 0 0 8 17 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 12 13 2 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 14 15 1 0 0 0 0 15 16 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 47 48 1 0 0 0 0 M CHG 1 47 1 M END