IBS-ZINC04817728 MOE2007 3D CORINA 3.40 0006 02.08.2006 62 64 0 0 1 0 0 0 0 0999 V2000 0.0100 -1.8050 0.2140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0830 -1.7440 -0.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4190 -0.0310 -2.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3320 0.5260 -1.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0430 -0.3090 -2.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5240 1.1370 -2.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5140 1.2570 -3.8580 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9480 1.3830 -3.6110 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.0720 2.1980 -2.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5950 1.7320 -4.9740 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.4680 1.4870 -5.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1920 1.2590 -5.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1030 1.1010 -5.7140 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5410 1.4970 -7.1530 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0590 3.1710 -5.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6380 4.0290 -4.2770 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0300 3.5050 -6.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5160 4.7470 -6.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4540 5.1830 -7.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3300 6.4830 -7.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2150 6.9510 -8.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2400 6.1290 -9.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3860 4.8430 -8.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5000 4.3730 -7.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5080 0.1080 -3.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0430 0.1400 -1.7030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5370 -1.0220 -1.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4980 -2.2430 -1.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9820 -2.2790 -3.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4870 -1.1190 -3.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0650 -3.4820 -1.1570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1510 -1.0130 0.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9970 -1.7070 -0.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -2.7670 0.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0650 -1.8740 -0.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9500 -2.5140 -1.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2660 0.7280 -2.9130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8290 -0.9330 -2.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2920 0.8160 -1.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 1.4150 -0.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5350 -0.2050 -0.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8730 -0.9300 -2.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3500 -0.7500 -3.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9480 1.5360 -1.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3200 1.7770 -3.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4370 1.0700 -5.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2970 2.7180 -6.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1990 5.5190 -5.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5360 7.1410 -7.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1060 7.9570 -9.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9300 6.4940 -9.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1940 4.2070 -9.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6490 3.3730 -7.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0860 1.0720 -1.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9560 -0.9670 -0.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9650 -3.2150 -3.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0850 -1.1940 -4.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1290 -3.5690 -1.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5460 -4.3760 -1.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9460 -3.4570 -0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0620 -0.3860 -1.5480 N 0 3 0 0 0 0 0 0 0 0 0 0 0.8540 0.3130 -0.8220 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 61 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 61 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 61 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 25 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 2 0 0 0 0 17 47 1 0 0 0 0 18 19 1 0 0 0 0 18 48 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 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 23 2 0 0 0 0 22 51 1 0 0 0 0 23 24 1 0 0 0 0 23 52 1 0 0 0 0 24 53 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 54 1 0 0 0 0 27 28 1 0 0 0 0 27 55 1 0 0 0 0 28 29 2 0 0 0 0 28 31 1 0 0 0 0 29 30 1 0 0 0 0 29 56 1 0 0 0 0 30 57 1 0 0 0 0 31 58 1 0 0 0 0 31 59 1 0 0 0 0 31 60 1 0 0 0 0 61 62 1 0 0 0 0 M CHG 1 61 1 M END