IFLAB-ZINC04940856 MOE2007 3D CORINA 3.40 0006 02.08.2006 49 50 0 0 0 0 0 0 0 0999 V2000 0.8050 -1.5850 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0640 -0.2460 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3770 -0.4880 -0.1060 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9940 -0.6530 -1.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2590 -1.7500 -2.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9040 -1.9220 -3.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8150 -0.6060 -4.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5500 0.4910 -3.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9050 0.6640 -2.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3080 -0.5730 1.2610 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.4100 -1.3860 0.8840 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4040 -0.9900 2.2750 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8450 1.1350 1.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7240 1.1880 2.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1580 2.5680 3.0350 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9460 2.8570 4.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2970 1.9730 4.8470 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3850 4.2490 4.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2010 4.5520 5.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6060 5.8530 5.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2050 6.8570 4.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3960 6.5630 3.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9790 5.2670 3.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8660 -1.4100 0.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 -2.2120 0.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6780 -2.0860 -0.9340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2730 0.2990 0.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4000 0.3410 -0.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0400 -0.9330 -1.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2130 -1.4700 -2.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3220 -2.6880 -1.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3800 -2.7040 -4.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9500 -2.2020 -3.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7680 -0.3250 -4.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2740 -0.7290 -5.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4860 1.4290 -4.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5960 0.2110 -3.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4290 1.4450 -1.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8590 0.9440 -2.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9720 1.7720 1.6920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4160 1.4870 0.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5970 0.5510 2.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1530 0.8370 3.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8780 3.2730 2.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5150 3.7690 6.0910 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2380 6.0880 6.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5260 7.8740 4.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0870 7.3520 3.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3440 5.0400 2.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 30 1 0 0 0 0 5 31 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 11 2 0 0 0 0 10 12 2 0 0 0 0 10 13 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 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 46 1 0 0 0 0 21 22 2 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 48 1 0 0 0 0 23 49 1 0 0 0 0 M END