IBS-ZINC02227590 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 58 0 0 1 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 0.7630 -2.0410 1.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4920 -2.5400 2.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8920 -2.6550 2.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4810 -3.0590 3.4260 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5830 -2.3190 1.3310 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0430 -2.4390 1.3140 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3430 -3.3040 1.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6660 -1.1740 1.9090 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5170 -2.6120 -0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5400 -3.4980 -0.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9740 -3.6560 -1.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3860 -2.9300 -2.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3620 -2.0450 -2.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9250 -1.8900 -1.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7930 -2.8800 3.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4460 -3.3270 4.6660 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5720 -2.7670 3.5880 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3230 -3.1330 4.7920 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8380 -3.9770 5.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3610 -1.9410 5.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7300 -3.5140 4.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3500 -4.5820 5.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6400 -4.9320 4.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3110 -4.2140 3.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6910 -3.1460 3.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4020 -2.7930 3.4400 C 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 -1.0200 -0.3810 0.0100 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 1.7650 -0.1340 1.2340 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 -0.2600 -2.4180 1.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2730 -2.3920 0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -3.5420 5.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1140 -1.9980 0.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3230 -1.0490 2.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7520 -1.2640 1.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3660 -0.3090 1.3180 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9990 -4.0650 0.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7740 -4.3480 -1.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7260 -3.0540 -3.7280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9030 -1.4780 -3.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1230 -1.2010 -0.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0410 -2.4460 2.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3430 -1.6650 6.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8460 -1.0960 5.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9200 -2.2130 6.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8260 -5.1430 5.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1240 -5.7660 5.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3190 -4.4880 3.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2150 -2.5850 2.3260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9200 -1.9560 2.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 1 0 0 0 0 2 33 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 18 2 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 11 43 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 44 1 0 0 0 0 14 15 1 0 0 0 0 14 45 1 0 0 0 0 15 16 2 0 0 0 0 15 46 1 0 0 0 0 16 17 1 0 0 0 0 16 47 1 0 0 0 0 17 48 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 53 1 0 0 0 0 26 27 1 0 0 0 0 26 54 1 0 0 0 0 27 28 2 0 0 0 0 27 55 1 0 0 0 0 28 29 1 0 0 0 0 28 56 1 0 0 0 0 29 57 1 0 0 0 0 M END