IFLAB-ZINC04138647 MOE2007 3D CORINA 3.40 0006 02.08.2006 56 59 0 0 0 0 0 0 0 0999 V2000 -0.0330 1.6060 0.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 0.0780 0.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7450 -0.4920 1.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7840 -2.0190 1.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5920 -2.5200 1.1160 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4460 -1.9720 0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4600 -0.4440 0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0600 -3.4640 1.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3450 -3.9090 2.8280 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4740 -3.9670 1.8110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8010 -5.2200 3.0760 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.4710 -5.6210 2.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1920 -5.0980 1.7190 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3670 -5.6180 1.7140 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4700 -6.5050 2.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2560 -6.5400 3.3240 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8840 -7.3820 4.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3140 -6.7000 5.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9520 -7.5220 6.8750 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3100 -6.9730 8.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6600 -7.3170 2.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6910 -8.6530 3.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9710 -9.0450 3.5020 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.2430 -9.9540 3.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8230 -7.9630 3.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0460 -6.8340 3.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6500 -5.5840 3.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0080 -5.4620 3.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7760 -6.5750 3.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1940 -7.8190 3.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9920 1.9780 0.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5790 2.0110 -0.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5190 1.9160 1.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4650 -0.2320 -0.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7630 -0.1010 1.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2440 -0.2020 2.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3620 -2.3110 0.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2410 -2.4350 2.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0490 -2.2600 -0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4600 -2.3560 0.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9400 -0.1560 1.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0120 -0.0200 -0.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1690 -3.1370 1.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6030 -4.4060 0.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3810 -8.3480 4.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8040 -7.5280 4.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8180 -5.7340 5.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3950 -6.5540 5.7580 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0010 -7.6560 8.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8140 -6.0130 8.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3900 -6.8330 8.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8310 -9.3070 3.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0550 -4.7160 2.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4790 -4.4940 3.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8410 -6.4670 3.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8010 -8.6780 3.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 39 1 0 0 0 0 6 40 1 0 0 0 0 7 41 1 0 0 0 0 7 42 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 15 21 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 19 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 20 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 22 2 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 52 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 53 1 0 0 0 0 28 29 2 0 0 0 0 28 54 1 0 0 0 0 29 30 1 0 0 0 0 29 55 1 0 0 0 0 30 56 1 0 0 0 0 M END