IBS-ZINC00712020 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 1 0 0 0 0 0999 V2000 0.5360 0.9880 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0060 -0.4370 -0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3180 -1.0880 -1.4400 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0150 -0.0780 1.4370 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4430 -0.6240 1.4800 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.1060 -0.0110 0.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9930 -0.7260 2.9020 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3330 -1.2190 2.7860 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0020 -1.3380 3.9940 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2990 -1.8480 3.9500 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9620 -1.9660 5.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3360 -1.5690 6.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0570 -1.0640 6.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3700 -0.9470 5.1350 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.2400 -1.7270 7.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2920 -2.6910 6.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3580 -2.4340 5.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9050 -2.2290 2.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3790 -2.5390 1.7010 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3950 -1.9270 0.8600 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2710 -2.3360 1.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6180 1.0040 -0.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0700 1.6260 -0.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 1.4390 0.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4220 -1.0450 0.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3990 -1.1360 -1.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0700 -2.1120 -1.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1240 -0.5280 -2.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9670 1.0060 1.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3750 -0.5880 2.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3950 -1.4360 3.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9860 0.2650 3.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5370 -0.7320 7.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7300 -2.1560 8.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6870 -0.7630 7.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9630 -3.7250 7.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2660 -2.5780 7.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0760 -1.6410 5.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6160 -3.3470 4.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4800 -0.4280 0.0730 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.9320 0.1530 -0.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8700 -1.3830 -0.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 2 40 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 4 40 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 20 1 0 0 0 0 7 8 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 18 1 0 0 0 0 11 12 1 0 0 0 0 11 17 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 3 0 0 0 0 20 21 1 0 0 0 0 40 41 1 0 0 0 0 40 42 1 0 0 0 0 M CHG 1 40 1 M END