IBS-ZINC05343851 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 61 0 0 0 0 0 0 0 0999 V2000 -0.3340 1.3650 0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 -0.0870 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1560 -0.8740 1.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5390 -2.2130 1.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7880 -2.7880 -0.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6370 -2.0300 -1.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2310 -0.6840 -1.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 0.0380 -2.4890 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2100 0.5880 -2.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1820 0.5240 -2.0070 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4100 1.2100 -4.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7160 1.5190 -4.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9530 2.0030 -5.7810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8910 2.1570 -6.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5890 1.8590 -6.2520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3280 1.4250 -4.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0150 1.1150 -4.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1560 1.7320 -4.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3760 2.8090 -5.6380 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6810 3.3190 -6.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5470 4.2920 -7.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9130 4.8260 -7.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1710 5.8810 -9.5020 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0140 6.7110 -10.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3940 7.9680 -10.4940 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0820 7.7930 -9.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1320 7.0210 -8.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1720 0.1200 -3.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2230 -0.5040 -3.2150 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0320 1.9810 -0.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4170 1.4880 0.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1360 1.7610 1.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0190 -0.4360 2.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6510 -2.8020 1.9830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0950 -3.8280 -0.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8200 -2.5050 -2.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5600 1.3620 -3.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9680 2.2290 -6.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0770 2.4960 -7.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2110 1.9430 -6.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0970 1.4050 -4.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5550 3.2960 -5.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1360 3.8240 -5.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3350 2.4860 -6.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0660 3.7830 -8.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8850 5.1140 -6.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3740 5.4440 -6.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5830 3.9920 -7.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5890 4.8950 -9.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7890 6.4000 -8.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9990 6.9160 -11.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4260 6.1760 -11.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6590 8.7880 -9.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4490 7.2840 -10.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7320 7.5490 -7.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1230 6.8410 -8.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8020 5.6690 -8.8590 N 0 3 0 0 0 0 0 0 0 0 0 0 4.2310 5.1420 -9.5350 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 7 2 0 0 0 0 3 4 2 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 5 6 2 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 14 15 2 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 28 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 22 57 1 0 0 0 0 23 24 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 23 57 1 0 0 0 0 24 25 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 28 29 2 0 0 0 0 57 58 1 0 0 0 0 M CHG 1 57 1 M END