IFLAB-ZINC01889553 MOE2007 3D CORINA 3.40 0006 02.08.2006 62 64 0 0 1 0 0 0 0 0999 V2000 0.2720 1.0680 -0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3850 -0.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2720 -1.0230 0.6180 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5500 -1.5580 1.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6730 -1.5000 1.7260 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3850 -2.1860 2.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7370 -2.5150 2.5850 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1450 -3.0320 3.8140 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0360 -3.1320 4.6550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9360 -2.6130 3.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3200 -2.5880 4.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4620 -3.0640 5.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6540 -3.5340 6.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9110 -3.5640 5.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7330 -2.9860 6.4380 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9900 -3.6880 7.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4940 -3.5990 7.9150 C 0 0 3 0 0 0 0 0 0 0 0 0 -4.0540 -3.9240 7.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9260 -4.4010 9.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8280 -4.3040 10.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3300 -4.0430 10.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8310 -4.5450 9.5620 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8050 -4.4710 9.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8830 -2.2320 8.1650 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4680 -1.7000 7.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4770 -3.4010 4.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5420 -2.5450 3.8630 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8480 -2.9060 4.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1050 -4.1280 4.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0310 -4.9730 5.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7230 -4.6170 4.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5030 -4.4990 5.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6380 -2.4460 1.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2150 1.5860 0.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2430 1.5800 -0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3370 1.1510 0.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4060 -0.9190 -0.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1410 -0.4430 -1.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1930 -2.1980 4.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5950 -3.8760 7.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7710 -3.9030 6.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6910 -4.7390 7.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4460 -3.1990 8.4770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9530 -5.4790 8.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2960 -4.1680 10.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3030 -3.7200 11.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6280 -5.3720 10.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8310 -4.5510 11.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5440 -2.9710 10.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3770 -1.5780 3.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6640 -2.2240 3.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2080 -5.9230 5.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9220 -5.3200 5.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7190 -4.1210 6.2420 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6360 -5.5860 5.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2320 -4.0800 4.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0560 -1.4410 1.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4580 -3.1690 1.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0890 -2.6930 0.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3030 -3.9350 9.4870 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.2800 -2.9060 9.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0090 -4.2790 8.8080 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 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 24 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 19 60 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 20 60 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 24 25 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 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 2 0 0 0 0 29 32 1 0 0 0 0 30 31 1 0 0 0 0 30 52 1 0 0 0 0 31 53 1 0 0 0 0 32 54 1 0 0 0 0 32 55 1 0 0 0 0 32 56 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 60 61 1 0 0 0 0 60 62 1 0 0 0 0 M CHG 1 60 1 M END