NCID-ZINC05957534 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 54 0 0 1 0 0 0 0 0999 V2000 -0.0420 1.6880 -0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0410 0.1640 -0.0650 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0640 -0.2150 -0.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8260 -0.3800 -1.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9590 -0.8180 -1.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2310 -0.2950 -2.4520 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8520 -0.7900 -3.6830 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9420 -0.7370 -3.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3930 -2.2150 -4.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7580 -3.2640 -3.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2110 -3.7500 -2.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 -4.7050 -1.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4310 -5.1840 -1.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4020 -4.7100 -1.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0680 -3.7530 -2.9310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3930 0.1550 -4.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6270 0.8370 -4.6970 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1760 0.1230 -5.9310 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8920 0.8980 -7.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9070 0.6210 -8.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8280 -0.1920 -7.9450 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5000 -0.3510 1.1840 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1820 -0.3690 2.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3260 0.0310 2.5200 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6160 -0.9000 3.3240 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1550 -1.0380 4.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0430 -1.9900 4.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3400 -1.6670 5.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1510 0.3280 5.3170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9740 2.0840 0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4510 2.0710 -1.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6430 2.0960 0.7330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6810 0.1420 -2.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6940 -2.2260 -4.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8220 -2.5170 -5.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2320 -3.3800 -2.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6310 -5.0730 -0.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6940 -5.9250 -0.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4210 -5.0810 -1.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8380 -3.3870 -3.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0210 -0.4450 -6.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1180 0.6450 -7.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9160 1.9600 -6.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4440 -0.7270 1.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8330 -2.9280 4.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2910 -2.2230 5.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9380 -1.5650 4.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2300 -1.0300 5.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1150 -1.8240 6.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6140 -2.6320 5.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0310 0.7950 4.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3430 0.2420 6.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6840 1.0200 5.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6940 1.2300 -9.3490 O 0 5 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 22 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 33 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 16 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 13 14 2 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 2 0 0 0 0 20 54 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 M CHG 1 54 -1 M END