IBS-ZINC02109011 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 62 0 0 1 0 0 0 0 0999 V2000 -4.2450 -1.8240 -1.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8160 -2.2370 -0.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0650 -1.0340 -0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6360 -1.4480 0.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6730 -2.5700 1.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4230 -3.7730 0.6690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8530 -3.3600 0.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3580 -2.0980 2.4490 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3900 -0.6670 2.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9920 -0.3450 4.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0300 0.8190 4.3720 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4920 -1.2560 4.8730 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9040 -0.8430 6.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0080 -1.5480 7.2530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8770 -3.0010 6.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4410 -4.1080 7.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0270 -4.1880 9.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6720 -5.4440 9.5070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7240 -6.5710 8.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1310 -6.5100 7.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4930 -5.2600 6.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9300 -4.8570 5.6460 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0590 -5.4400 4.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1580 -3.5080 5.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6520 -2.6630 4.5050 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.9240 -3.0030 3.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8370 -4.1720 2.9360 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1390 -2.9500 4.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2620 -5.5760 10.7960 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0930 -6.8900 11.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2190 -1.0240 -1.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7800 -2.6810 -1.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7550 -1.4720 -0.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3050 -2.5890 -1.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0390 -0.2350 -0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5750 -0.6830 0.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1250 -1.7990 -0.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1010 -0.5910 0.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3460 -2.8650 1.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9130 -4.1250 -0.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4490 -4.5730 1.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3630 -3.0080 1.2100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3870 -4.2170 -0.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3710 -0.2800 2.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9740 -0.1810 1.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7960 0.2370 6.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9440 -1.1260 6.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0230 -1.0820 7.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4550 -1.4660 8.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9850 -3.3140 9.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4370 -7.5260 9.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1670 -7.3940 6.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5170 -2.3140 3.4850 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2700 -3.9970 4.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6890 -2.7440 5.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9150 -7.2650 10.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4010 -6.8550 12.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7670 -7.5520 11.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 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 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 39 1 0 0 0 0 6 7 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 42 1 0 0 0 0 7 43 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 44 1 0 0 0 0 9 45 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 25 1 0 0 0 0 13 14 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 14 15 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 15 16 1 0 0 0 0 15 24 2 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 50 1 0 0 0 0 18 19 1 0 0 0 0 18 29 1 0 0 0 0 19 20 2 0 0 0 0 19 51 1 0 0 0 0 20 21 1 0 0 0 0 20 52 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 28 1 0 0 0 0 26 27 2 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 29 30 1 0 0 0 0 30 56 1 0 0 0 0 30 57 1 0 0 0 0 30 58 1 0 0 0 0 M END