IBS-ZINC00703020 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 60 0 0 1 0 0 0 0 0999 V2000 -0.0990 1.0360 -0.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2440 2.2960 0.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5730 2.6190 0.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5180 1.6210 0.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2190 0.3620 -0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8790 0.0550 -0.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4650 -0.3180 -0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4670 0.5330 0.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8540 1.7350 0.5610 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8860 0.4170 0.3430 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5320 1.6430 0.2610 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6180 -0.6880 0.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1830 -2.0870 0.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3920 -2.9570 0.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3690 -4.1730 0.4100 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4840 -2.1210 0.4620 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1420 -0.7050 0.5800 C 0 0 3 0 0 0 0 0 0 0 0 0 8.5610 -0.2180 -0.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7050 -0.0870 1.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3090 1.1760 1.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8140 1.7410 2.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7030 1.0180 4.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1330 -0.2030 4.2320 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6400 -0.7180 3.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8490 -2.6180 0.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1580 -3.0970 -1.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0300 -3.8410 -2.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3850 -4.5450 -2.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2820 -5.8710 -2.1060 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8420 -5.8610 -0.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4590 -5.2240 -0.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0680 -2.5300 0.8530 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1410 0.8130 -0.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5350 3.0390 0.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8580 3.5900 0.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 -0.9210 -0.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6000 -1.3230 -0.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3760 1.7370 0.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2730 2.7240 2.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0790 1.4150 5.0940 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1790 -1.6950 3.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5540 -1.8360 0.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9490 -3.4460 1.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4030 -3.7910 -1.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2030 -2.2300 -1.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1170 -2.8070 -2.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2860 -4.3830 -3.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7430 -4.6240 -3.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1360 -3.9850 -2.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8020 -6.9000 -0.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5810 -5.3360 -0.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7140 -5.7710 -1.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1530 -5.1690 0.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8340 2.3300 0.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5030 -3.8000 -1.1760 N 0 3 0 0 0 0 0 0 0 0 0 0 12.1850 -3.2620 -0.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 33 1 0 0 0 0 2 3 2 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 36 1 0 0 0 0 7 8 2 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 11 54 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 32 2 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 25 1 0 0 0 0 17 18 1 0 0 0 0 17 19 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 38 1 0 0 0 0 21 22 1 0 0 0 0 21 39 1 0 0 0 0 22 23 2 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 24 41 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 26 55 1 0 0 0 0 27 28 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 27 55 1 0 0 0 0 28 29 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 31 52 1 0 0 0 0 31 53 1 0 0 0 0 31 55 1 0 0 0 0 55 56 1 0 0 0 0 M CHG 1 55 1 M END