IBS-ZINC00535072 MOE2007 3D CORINA 3.40 0006 02.08.2006 33 35 0 0 0 0 0 0 0 0999 V2000 0.0100 1.3970 0.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0010 -0.0040 0.0850 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1850 -0.6510 0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3180 0.0560 0.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5170 -0.5860 0.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6050 -1.9540 0.4730 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4700 -2.6770 0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2590 -2.0080 -0.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7990 -3.9730 -0.1180 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1110 -4.2010 0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7510 -5.3920 0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2140 -5.4540 0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0130 -4.4630 -0.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3840 -4.5290 -0.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9720 -5.5720 0.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1890 -6.5560 0.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8160 -6.5080 0.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8270 -7.6670 1.7010 N 0 3 0 0 0 0 0 0 0 0 0 0 -10.0400 -7.7130 1.8020 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1400 -8.5340 2.2100 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.7180 -2.9190 0.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8800 -2.7050 0.8190 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0170 1.7890 0.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6770 1.9090 -0.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3030 1.5590 1.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2500 1.1150 0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3950 -0.0360 1.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3750 -2.5460 -0.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1850 -6.2950 -0.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5560 -3.6480 -0.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0020 -3.7650 -0.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0470 -5.6180 0.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2060 -7.2790 1.2890 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 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 6 7 2 0 0 0 0 6 21 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 31 1 0 0 0 0 15 16 2 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 33 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 21 22 2 0 0 0 0 M CHG 1 18 1 M CHG 1 20 -1 M END