IFLAB-ZINC04339757 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 53 0 0 0 0 0 0 0 0999 V2000 1.3440 1.5150 -2.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3900 0.0900 -2.0330 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4440 -0.4430 -1.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4040 0.1770 -0.5930 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5460 -1.9090 -1.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5140 -2.6310 -0.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4660 -4.0270 -0.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6510 -4.7200 -1.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7040 -3.9910 -1.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6560 -2.5950 -1.6870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7270 -6.1830 -1.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2920 -6.9850 -0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3890 -8.4540 -0.1540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8630 -9.1450 -1.0390 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2170 -8.8990 1.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4250 -10.1710 1.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0520 -10.2890 2.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4470 -9.1390 3.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2340 -7.8440 3.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6070 -7.7590 1.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2980 -6.5930 1.1200 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6420 -6.6130 3.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8020 -4.4890 4.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2450 -4.2210 5.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2840 -5.5280 6.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1220 -6.6080 5.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0560 -9.2720 4.7330 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3830 1.8350 -2.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5170 1.9770 -1.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1390 1.8290 -2.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3920 -2.1150 -0.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3220 -4.5590 -0.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5770 -4.5040 -2.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4940 -2.0620 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1930 -6.6270 -1.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1160 -11.0450 0.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2270 -11.2830 3.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0990 -5.9000 3.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3860 -6.8150 4.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8150 -4.4800 5.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7290 -3.8330 3.9820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2190 -4.0220 5.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0120 -3.3700 6.5470 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2060 -5.6490 7.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5550 -5.5730 7.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0810 -7.0200 5.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5410 -7.4080 5.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1980 -10.2170 4.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4860 -5.9010 4.4220 N 0 3 0 0 0 0 0 0 0 0 0 0 0.2530 -5.8260 3.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 2 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 21 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 36 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 27 1 0 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 23 49 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 26 49 1 0 0 0 0 27 48 1 0 0 0 0 49 50 1 0 0 0 0 M CHG 1 49 1 M END