IBS-ZINC04005481 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 41 0 0 0 0 0 0 0 0999 V2000 -0.7080 -0.0220 -2.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7070 -1.4380 -2.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9830 -1.7160 -1.6130 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1500 -2.9330 -1.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2350 -3.7350 -1.0580 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3880 -3.2750 -0.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6860 -4.4880 0.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0750 -4.3840 0.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9350 -5.2560 1.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2130 -4.8160 1.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5960 -3.5400 1.1890 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7700 -2.7350 0.5560 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5300 -3.1020 0.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5020 -2.4520 -0.3840 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5730 -1.0860 -0.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1660 -5.6990 2.2840 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.8240 -6.8200 2.6180 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2910 -5.3060 2.5340 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.8560 -5.5590 0.2830 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0300 -5.6210 1.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1240 -4.7150 2.3080 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2370 -3.7620 2.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1130 -4.6940 3.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2650 0.1900 -3.2170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4800 0.0560 -3.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9100 0.6960 -1.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5050 -2.1560 -2.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0650 -1.5160 -1.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6110 -6.2450 1.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5950 -3.1980 1.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9220 -1.1130 -1.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2670 -0.5000 -0.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5840 -0.6310 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2720 -6.3900 1.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1810 -4.3060 2.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1630 -3.1460 3.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1930 -3.1240 1.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3040 -4.0200 3.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5670 -4.3480 4.2970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7160 -5.6990 3.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 6 14 1 0 0 0 0 7 8 1 0 0 0 0 7 19 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 16 1 0 0 0 0 11 12 2 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M END