IBS-ZINC02275525 MOE2007 3D CORINA 3.40 0006 02.08.2006 59 62 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 0.7180 -0.4980 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 -2.0040 -1.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2470 -2.8350 -1.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1620 -4.1580 -1.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6550 -5.2090 -2.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3340 -6.3730 -1.9300 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8010 -4.8920 -2.7380 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3780 -5.5960 -3.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1520 -3.5810 -2.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4040 -2.5960 -2.4830 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4100 -3.2670 -3.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2250 -4.2960 -4.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3990 -3.9960 -4.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7740 -2.6770 -4.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9760 -1.6500 -4.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7960 -1.9340 -3.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0140 -0.9250 -3.3530 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4720 0.4090 -3.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4680 1.4020 -2.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4260 -5.2970 -5.3540 S 0 0 0 0 0 0 0 0 0 0 0 0 -7.2010 -4.7430 -6.4080 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5840 -6.4290 -5.5200 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4890 -5.6780 -4.1430 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.7920 -5.0020 -4.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8830 -6.0700 -3.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5430 -6.9630 -2.8440 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3300 -7.6900 -3.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1620 -6.7080 -3.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3520 -4.1040 -0.9480 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6760 -2.7550 -0.7520 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1490 -5.2540 -0.5140 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 0.5290 -0.3650 0.8850 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 0.1910 -0.1360 -2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7410 -0.1200 -1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9360 -5.3260 -3.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6940 -2.4510 -5.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2740 -0.6230 -4.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5660 0.5790 -4.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4420 0.5480 -3.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8170 2.4200 -3.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3740 1.2320 -1.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4970 1.2630 -3.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8010 -4.3590 -3.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9680 -4.4030 -4.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8380 -5.5920 -3.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9590 -6.6280 -4.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1680 -8.3760 -2.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4000 -8.2540 -3.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2600 -7.2390 -3.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0050 -6.2400 -2.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8520 -5.5270 -1.3010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7000 -4.9940 0.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4900 -6.0970 -0.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 37 1 0 0 0 0 2 38 1 0 0 0 0 3 4 1 0 0 0 0 3 39 1 0 0 0 0 3 40 1 0 0 0 0 4 5 1 0 0 0 0 4 32 2 0 0 0 0 5 6 2 0 0 0 0 5 12 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 22 1 0 0 0 0 16 17 2 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 23 2 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 25 26 1 0 0 0 0 25 30 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 30 55 1 0 0 0 0 30 56 1 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 33 57 1 0 0 0 0 33 58 1 0 0 0 0 33 59 1 0 0 0 0 M END