IBS-ZINC05026066 MOE2007 3D CORINA 3.40 0006 02.08.2006 41 42 0 0 0 0 0 0 0 0999 V2000 -0.1740 0.7420 0.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0070 -0.7710 0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7860 -1.3010 -1.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1460 -1.3770 -1.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7840 -1.8590 -2.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1810 -2.0080 -3.3480 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1220 -2.1270 -2.2030 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9470 -1.9430 -1.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1310 -2.2690 -1.2180 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3740 -1.3680 -0.0090 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0260 -1.0070 0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6060 -0.4090 1.1010 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2490 -1.1060 1.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9080 0.2330 0.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6220 1.3200 1.6780 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0320 -1.6350 -2.1360 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3310 -1.9040 -2.3340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1010 -2.6680 -1.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4560 -2.8950 -1.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0540 -2.3620 -2.8440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3070 -1.6020 -3.7550 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9470 -1.3850 -3.4830 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9410 -1.0310 -5.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1780 -0.4180 -5.8110 O 0 5 0 0 0 0 0 0 0 0 0 0 0.7860 1.2670 0.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 1.0320 -0.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7180 1.0930 1.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4720 -1.0650 1.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9850 -1.2150 0.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5590 -2.5000 -3.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6770 -1.1430 2.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0230 -1.8790 1.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6810 0.2990 0.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8580 1.3020 2.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1420 2.2570 1.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5850 -1.7270 -3.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6440 -3.1250 -0.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0450 -3.4920 -1.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1110 -2.5440 -3.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3610 -0.7880 -4.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1900 -1.2110 -5.1460 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 2 0 0 0 0 3 16 1 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 30 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 13 1 0 0 0 0 11 12 2 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 15 2 0 0 0 0 14 33 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 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 37 1 0 0 0 0 19 20 1 0 0 0 0 19 38 1 0 0 0 0 20 21 2 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 2 0 0 0 0 M CHG 1 24 -1 M END