IBS-ZINC02138776 MOE2007 3D CORINA 3.40 0006 02.08.2006 53 55 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 1.5030 -2.5480 2.4730 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4960 -2.1000 2.5120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6310 -4.0480 2.4030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1430 -4.7390 3.2720 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2870 -4.6210 1.3750 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6770 -4.0680 0.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4110 -6.0790 1.3070 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5070 -6.5400 1.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6020 -6.5010 -0.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9690 -7.6330 -0.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1440 -8.0200 -1.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9520 -7.2750 -2.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5840 -6.1420 -2.2810 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4060 -5.7530 -0.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5990 -6.5200 2.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2730 -5.7010 2.7010 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7520 -2.1770 3.6750 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3370 -1.3910 4.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 -0.9890 4.4550 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5610 -1.0320 5.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0930 -0.2260 6.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 0.0810 7.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9680 -0.4080 8.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5070 -1.2080 7.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 -1.5270 5.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2540 -2.3280 4.9060 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1570 -2.6760 4.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5050 -2.6200 3.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9860 -3.3210 2.9590 O 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 1.3370 -8.2150 0.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6490 -8.9050 -2.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0890 -7.5770 -3.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2160 -5.5600 -2.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8980 -4.8660 -0.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 0.1560 6.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7330 0.7060 8.6930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5590 -0.1600 8.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5140 -1.5840 7.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9090 -7.8240 2.2070 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6800 -8.0580 2.7420 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 41 1 0 0 0 0 4 42 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 21 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 1 0 0 0 0 11 13 1 0 0 0 0 11 19 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 43 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 16 17 2 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 18 47 1 0 0 0 0 19 20 2 0 0 0 0 19 52 1 0 0 0 0 21 22 1 0 0 0 0 21 32 1 0 0 0 0 22 23 2 0 0 0 0 22 24 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 48 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 27 28 2 0 0 0 0 27 50 1 0 0 0 0 28 29 1 0 0 0 0 28 51 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 32 33 2 0 0 0 0 52 53 1 0 0 0 0 M END