IFLAB-ZINC04139250 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 49 0 0 1 0 0 0 0 0999 V2000 -0.4480 2.0620 0.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0180 0.6420 0.2660 C 0 0 3 0 0 0 0 0 0 0 0 0 0.5520 0.6970 -0.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2320 -0.3320 0.0730 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.8790 -0.2050 0.9530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8410 -1.8020 0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1400 -2.7450 1.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6240 -4.0350 0.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0510 -4.0430 -0.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0510 -2.5060 -1.2080 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4860 0.5700 -2.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5150 0.6210 -3.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6550 1.3960 -3.1150 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3230 0.8220 -1.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3990 0.7630 -0.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 0.1740 1.3180 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1860 -0.2570 1.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6460 -0.2620 -0.1000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9920 -0.7310 2.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3960 -1.1720 1.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1380 0.4170 3.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2890 -1.9280 2.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4300 2.6900 0.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0180 2.5490 -0.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0580 2.0620 1.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7010 -2.5260 1.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7380 -4.9130 1.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5430 -4.8800 -0.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6350 -0.0560 -2.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1520 1.5790 -2.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0730 1.0990 -4.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8390 -0.3840 -3.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1910 1.4480 -1.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6930 -0.1750 -2.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0820 1.7640 -0.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8880 0.2490 0.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5790 0.1700 2.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9360 -0.3460 1.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9980 -1.5170 2.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3400 -1.9910 1.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1740 0.7150 3.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7880 0.1300 4.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5710 1.3050 2.8000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1310 -2.7360 2.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8840 -2.3300 3.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3080 -1.6580 3.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1420 -0.0190 -1.1280 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.4790 -0.9480 -1.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 16 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 47 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 26 1 0 0 0 0 8 9 2 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 11 47 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 15 47 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 47 48 1 0 0 0 0 M CHG 1 47 1 M END