IFLAB-ZINC02974517 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 62 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 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 0.0230 -0.7010 1.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0410 -2.0840 1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.7780 0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0180 -2.0810 -1.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 -0.6860 -1.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0340 0.0740 -2.4980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0160 -2.7650 -2.3920 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.0830 -3.1540 -3.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3920 -2.8090 -2.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2420 -1.8420 -3.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3290 -2.5010 -4.6420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2140 -4.0120 -4.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7960 -4.3130 -5.0660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7800 -3.7890 -4.1570 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6730 -3.8880 -4.3600 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2230 -3.1540 -3.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1170 -5.3280 -4.3790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3650 -6.2910 -3.7320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7700 -7.6120 -3.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9320 -7.9760 -4.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6860 -7.0090 -5.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2720 -5.6850 -5.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8260 -7.3450 -5.7270 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4060 -8.6140 -5.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2870 -9.6640 -5.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3220 -9.2800 -4.4080 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0670 -3.2190 -5.5600 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0250 -0.1620 2.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0580 -2.6220 2.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 -3.8580 0.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9860 0.2710 -2.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5510 -0.5170 -3.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5590 1.0190 -2.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9590 -3.7260 -2.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1900 -2.3450 -1.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2380 -1.7380 -2.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7540 -0.8690 -3.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2840 -2.2340 -5.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5260 -2.1050 -5.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3610 -4.3730 -3.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9400 -4.4670 -5.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6730 -5.3930 -5.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6490 -3.8690 -6.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7940 -2.2740 -3.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8350 -3.8260 -2.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5400 -6.0100 -3.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1810 -8.3620 -3.2390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8560 -4.9320 -5.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1500 -8.8790 -6.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8760 -8.5660 -4.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8130 -9.7080 -6.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7020 -10.6400 -5.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0170 -3.2560 -5.7370 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 9 1 0 0 0 0 7 8 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 10 2 0 0 0 0 9 18 1 0 0 0 0 10 11 1 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 13 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 15 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 16 1 0 0 0 0 15 47 1 0 0 0 0 15 48 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 29 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 51 1 0 0 0 0 21 22 1 0 0 0 0 21 52 1 0 0 0 0 22 23 2 0 0 0 0 22 28 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 53 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 27 28 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 29 58 1 0 0 0 0 M CHG 1 9 1 M END