IFLAB-ZINC04176845 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 45 0 0 0 0 0 0 0 0999 V2000 -0.0120 1.3710 0.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 -0.0110 0.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2070 -0.6870 0.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4070 0.0270 0.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3820 1.4220 0.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1730 2.0850 0.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6980 -0.6900 0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9220 -0.1220 0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9170 -0.9810 0.1360 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6090 -2.2410 0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9110 -2.4370 0.1130 S 0 0 0 0 0 0 0 0 0 0 0 0 6.5260 -3.2800 0.0240 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8470 -3.0120 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2350 -1.8610 0.0570 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8240 -4.1190 -0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3820 -5.4430 -0.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2960 -6.4740 -0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6520 -6.2020 -0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1020 -4.8890 -0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1920 -3.8450 -0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4780 -4.6190 -0.1370 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2900 -4.9510 0.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9480 -5.5100 1.8940 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7020 -4.5190 0.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5630 -3.8720 -0.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0890 -4.0120 -1.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5470 -3.6330 -2.1780 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9560 1.8950 0.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9230 -0.5620 0.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2200 -1.7660 0.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3060 1.9800 0.3100 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1520 3.1640 0.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0720 0.9460 0.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2170 -4.1980 -0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3240 -5.6590 -0.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9520 -7.4970 -0.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3630 -7.0130 -0.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5400 -2.8240 -0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0610 -3.7910 1.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3670 -5.3820 0.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8540 -2.8220 -0.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1600 -4.4130 -1.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 28 1 0 0 0 0 2 3 2 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 33 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 34 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 35 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 18 19 2 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 25 26 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 26 27 2 0 0 0 0 M END