IBS-ZINC02249575 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 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 0.7420 -0.5110 1.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4330 -0.5340 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1350 -0.1310 -1.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5100 -0.6380 -1.2750 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5820 0.0440 -0.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7410 -0.7120 -0.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3410 -1.9790 -1.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8940 -1.8700 -1.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2440 -2.8670 -2.3250 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9080 -3.9660 -2.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2190 -5.0360 -3.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9010 -6.1490 -3.6910 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2780 -6.2490 -3.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9770 -5.2360 -2.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3070 -4.0680 -2.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9840 -3.0680 -1.9300 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.0910 -0.3230 -0.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8170 0.2620 -1.3050 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5320 -0.6130 0.7190 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.8850 -0.2240 1.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9550 -0.0740 2.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9990 -1.0950 3.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0360 -2.1710 2.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8900 -1.3310 0.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5260 1.2990 -0.2400 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2320 -0.1590 2.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7570 -1.6010 1.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7650 -0.1340 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4190 -1.6200 0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9700 -0.1110 0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1500 0.9560 -1.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5980 -0.5540 -2.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1530 -4.9740 -3.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3680 -6.9670 -4.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7960 -7.1430 -3.8110 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0440 -5.3270 -2.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9540 -1.0790 1.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1630 0.7150 0.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9820 -0.2900 3.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2670 0.9370 2.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6830 -1.5350 4.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9750 -0.6220 3.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2030 -2.8660 2.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9880 -2.7030 2.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8480 -0.8950 0.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4940 -1.9430 -0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6780 1.7640 -0.1790 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3360 1.7220 0.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 31 1 0 0 0 0 3 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 7 8 2 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 19 1 0 0 0 0 9 10 1 0 0 0 0 9 18 2 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 39 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 15 16 2 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 26 1 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 M END