IFLAB-ZINC03865506 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 49 0 0 1 0 0 0 0 0999 V2000 -0.4870 2.1600 -0.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3070 0.6400 -0.4810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6040 -0.0010 -0.3670 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6220 -1.3480 -0.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5810 -1.9690 -0.4410 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7930 -2.0060 -0.2530 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8350 -3.4760 -0.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8520 -3.9430 -1.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0350 -1.8220 -1.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0640 -1.2720 -0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1880 -3.8310 -1.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6230 -5.2020 -1.3900 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.7650 -5.8730 -1.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7040 -5.7780 -2.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0280 -7.1040 -1.8860 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9780 -7.7640 -2.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3410 -9.0550 -2.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3080 -9.7230 -2.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9140 -9.1050 -4.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5540 -7.8180 -4.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5920 -7.1440 -3.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9490 -9.8230 -4.8280 N 0 3 0 0 0 0 0 0 0 0 0 0 -12.2660 -10.9570 -4.5170 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.4830 -9.2800 -5.7780 O 0 5 0 0 0 0 0 0 0 0 0 0 -7.1440 -5.0620 -0.0670 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4870 2.6410 -0.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1140 2.4540 -1.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9630 2.4660 0.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1690 0.3340 -1.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3200 0.3460 0.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8490 -3.8720 -0.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1390 -3.8250 0.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4940 -3.6830 -2.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9760 -5.0240 -1.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0160 -1.3680 -1.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6630 -1.5870 -2.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4840 -1.4140 0.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8910 -0.2120 -0.3240 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7980 -3.9360 -2.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0440 -3.1570 -1.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5960 -5.1530 -2.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3370 -5.8010 -3.3320 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8680 -9.5380 -1.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5910 -10.7280 -2.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0280 -7.3380 -5.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3140 -6.1370 -3.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9110 -4.4760 -0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1410 -3.2830 -1.0410 N 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 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 8 48 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 9 48 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 11 48 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 25 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 25 47 1 0 0 0 0 M CHG 1 22 1 M CHG 1 24 -1 M END