IBS-ZINC04954912 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 59 0 0 1 0 0 0 0 0999 V2000 -2.4350 1.6790 0.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7420 0.4800 0.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0200 -0.0890 -0.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0330 -0.6330 -2.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2500 -1.9370 0.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6460 -2.5690 0.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5850 -3.9770 0.8050 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7100 -4.4550 2.1800 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9160 -3.9480 2.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4980 -5.9890 2.1360 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.3270 -6.2590 0.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3570 -4.9830 -0.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1780 -4.9020 -1.3050 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1600 -7.3510 0.1500 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2640 -6.3930 2.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2390 -5.7120 2.8870 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2860 -7.6400 3.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4520 -7.7220 4.8310 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4500 -8.8730 5.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2700 -9.9480 5.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0870 -9.8790 4.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0960 -8.7260 3.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0460 -4.0900 2.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0720 -3.5690 4.1170 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2810 -3.2120 4.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4800 -3.3820 4.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4770 -3.9180 2.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2630 -4.2720 2.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7460 -2.9850 4.6440 N 0 3 0 0 0 0 0 0 0 0 0 0 -7.7060 -2.5380 5.8000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7850 -3.1110 3.9800 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.7690 2.3660 1.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7730 2.2370 -0.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3160 1.3710 -0.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8470 0.7620 1.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4370 -0.0290 1.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8090 -0.4510 -0.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0140 1.0040 -0.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9520 -0.2980 -2.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -1.7260 -2.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8140 -0.2720 -2.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7480 -1.9040 1.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6250 -2.5180 -0.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2880 -2.0380 1.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1230 -2.5120 -0.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3860 -6.5150 2.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2010 -6.8950 5.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1950 -8.9350 6.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2640 -10.8480 5.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7080 -10.7300 3.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7260 -8.7150 2.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1480 -3.4300 4.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2660 -2.8040 5.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4020 -4.0660 2.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2810 -4.6810 1.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3220 -0.5050 -0.1920 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.0520 -0.4860 -0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 2 56 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 3 56 1 0 0 0 0 4 39 1 0 0 0 0 4 40 1 0 0 0 0 4 41 1 0 0 0 0 5 6 1 0 0 0 0 5 42 1 0 0 0 0 5 43 1 0 0 0 0 5 56 1 0 0 0 0 6 7 1 0 0 0 0 6 44 1 0 0 0 0 6 45 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 10 46 1 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 12 13 2 0 0 0 0 15 16 2 0 0 0 0 15 17 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 47 1 0 0 0 0 19 20 1 0 0 0 0 19 48 1 0 0 0 0 20 21 2 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 22 51 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 52 1 0 0 0 0 25 26 1 0 0 0 0 25 53 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 54 1 0 0 0 0 28 55 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 56 57 1 0 0 0 0 M CHG 1 29 1 M CHG 1 31 -1 M CHG 1 56 1 M END