IBS-ZINC06664818 MOE2007 3D CORINA 3.40 0006 02.08.2006 57 60 0 0 0 0 0 0 0 0999 V2000 -0.6620 1.0700 0.8170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0750 -0.2720 0.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1010 -1.1230 1.5710 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6620 -2.2430 1.3670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1660 -3.2740 0.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9010 -4.4490 0.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 -4.6040 1.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6140 -3.5850 1.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8760 -2.4060 2.0400 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4110 -1.3350 2.8990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5200 -0.1900 2.4770 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7730 -1.7380 4.1640 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3650 -0.8240 5.1190 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6030 -1.5620 6.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2910 -2.7520 6.5420 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1790 -0.8420 7.4830 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3880 -1.5040 8.7650 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8600 -1.4550 9.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4380 -0.0240 9.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0820 0.6760 7.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6070 0.5530 7.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9300 -0.0410 9.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5900 0.7440 10.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9120 0.4310 10.1160 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6890 0.8140 10.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9950 -0.5140 9.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8130 -0.8170 8.6310 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9700 1.7070 11.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5390 2.0300 10.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0800 1.5190 1.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6710 1.7590 -0.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6860 0.9500 1.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6810 -0.7090 -0.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9510 -0.1270 0.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7980 -3.1700 0.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5160 -5.2490 -0.2210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6960 -5.5200 0.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5740 -3.7140 2.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6280 -2.6960 4.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3140 -0.4700 4.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6790 0.0140 5.2720 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7660 -0.9920 9.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0540 -2.5460 8.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9960 -1.9060 10.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4190 -2.0910 8.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3690 1.7340 7.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6710 0.2180 6.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4500 0.9760 6.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9760 1.1250 8.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9400 -0.9400 8.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9320 1.2600 12.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5560 2.6290 11.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9530 2.4860 11.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5340 2.7010 9.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8030 0.7650 10.2980 N 0 3 0 0 0 0 0 0 0 0 0 0 4.8190 0.9920 10.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7960 0.1440 11.1180 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 4 5 1 0 0 0 0 4 9 2 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 2 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 9 10 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 39 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 19 55 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 23 2 0 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 23 28 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 2 0 0 0 0 26 50 1 0 0 0 0 28 29 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 55 56 1 0 0 0 0 55 57 1 0 0 0 0 M CHG 1 55 1 M END