IBS-ZINC00123658 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 43 0 0 0 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0230 -0.6910 1.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -2.0740 1.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -2.7280 -0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -1.9620 -1.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6470 -1.1500 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0570 -4.2030 -0.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0760 -4.8590 0.9040 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 -4.8200 -1.3150 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0710 -6.1090 -1.3770 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0670 -6.7220 -2.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0860 -8.1010 -2.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1090 -9.0420 -1.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1210 -10.2900 -2.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1060 -10.1760 -3.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0790 -8.8790 -3.7840 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0530 -8.3950 -5.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9660 -8.8660 -6.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9380 -8.3870 -7.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0010 -7.4390 -7.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9100 -6.9670 -6.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8900 -7.4460 -5.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 -6.9270 -9.0820 N 0 3 0 0 0 0 0 0 0 0 0 0 0.8400 -7.3750 -9.9670 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9190 -6.0240 -9.4340 O 0 5 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1520 2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -2.6350 2.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 -2.4510 -2.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -4.2960 -2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0500 -6.1390 -3.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1160 -8.7870 -0.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1390 -11.2150 -1.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1110 -11.0070 -4.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6990 -9.6070 -5.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6480 -8.7530 -8.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6410 -6.2260 -7.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6050 -7.0810 -4.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 11 12 2 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 17 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 15 16 2 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 38 1 0 0 0 0 20 21 1 0 0 0 0 20 39 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 M CHG 1 24 1 M CHG 1 26 -1 M END