IFLAB-ZINC04061765 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 61 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4120 -0.5260 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7900 -1.2330 0.9220 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2560 -0.2060 -0.9880 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6300 -0.7130 -0.9780 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6440 -1.7150 -0.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5090 0.2140 -0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1660 -0.7640 -2.4100 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.5940 -1.4920 -2.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0320 0.5960 -3.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0620 0.9600 -3.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1460 2.2640 -4.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1830 2.9590 -3.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1350 1.9440 -2.7980 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.1300 -1.2170 -3.7520 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6220 -1.5520 -3.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8020 -2.8350 -2.9890 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2520 -2.7760 -1.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7600 -2.4410 -1.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1500 -3.2100 -2.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0910 -2.3930 -2.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4220 -2.7660 -2.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8190 -3.9520 -2.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8860 -4.7720 -3.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5520 -4.4030 -3.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6350 -5.2060 -4.1700 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1190 -6.4130 -4.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9530 0.3600 -1.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4950 1.2160 -0.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5320 -0.1630 -0.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1280 0.2510 0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2710 0.2890 -4.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4250 2.6870 -5.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4070 3.9860 -4.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6100 -1.9880 -4.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9960 -0.2520 -4.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1460 -0.7670 -3.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0250 -1.6250 -4.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7720 -2.0050 -1.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3860 -3.7410 -1.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3570 -2.3670 -0.6860 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2360 -3.2260 -2.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7840 -1.4650 -1.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1540 -2.1280 -1.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8600 -4.2400 -2.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2000 -5.6980 -3.9980 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2860 -6.9590 -5.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5890 -7.0300 -3.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8500 -6.1720 -5.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5810 -1.1580 -2.3900 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 3 36 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 37 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 59 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 14 15 2 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 15 43 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 17 59 1 0 0 0 0 18 19 1 0 0 0 0 18 46 1 0 0 0 0 18 47 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 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 50 1 0 0 0 0 21 51 1 0 0 0 0 21 59 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 24 53 1 0 0 0 0 25 26 2 0 0 0 0 25 54 1 0 0 0 0 26 27 1 0 0 0 0 26 55 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 29 58 1 0 0 0 0 M END