IFLAB-ZINC02457358 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 0 0 0 0 0 0999 V2000 0.3900 1.5620 -0.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3120 0.1500 -0.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8050 -0.1890 0.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7480 -1.5130 1.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2090 -2.5410 0.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2430 -2.2050 -0.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1980 -0.8640 -1.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7650 -3.2390 -1.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1490 -3.8230 0.9640 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3580 -4.4860 1.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4120 -5.9420 0.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1600 -6.6560 1.2500 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0400 -5.9910 0.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1270 -4.5190 1.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1920 -7.8660 1.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2430 -8.3410 2.3770 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1390 -8.5820 2.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9980 -9.9400 2.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3200 -10.6940 2.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3620 -10.0830 2.6180 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3310 1.7200 -1.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4430 1.7850 -1.6280 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3330 2.2730 -0.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2270 0.5710 1.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1100 -1.7430 2.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5550 -0.6110 -2.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8190 -3.4520 -1.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6820 -2.8910 -2.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1820 -4.1630 -1.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2670 -3.9720 1.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3480 -4.4590 2.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5590 -5.9670 -0.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2680 -6.4480 1.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9690 -6.0510 -0.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9560 -6.5070 1.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3670 -4.4830 2.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9560 -4.0280 0.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7880 -7.9360 2.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5980 -8.7200 1.1440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3180 -10.5760 2.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 -9.8120 3.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2020 -11.8520 3.4810 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 1 23 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 24 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 26 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 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 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 15 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 36 1 0 0 0 0 14 37 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 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 2 0 0 0 0 19 42 1 0 0 0 0 M CHG 1 42 -1 M END