IFLAB-ZINC04250919 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 53 0 0 0 0 0 0 0 0999 V2000 -0.0730 1.4910 0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0100 0.0090 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1180 -0.7670 -0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6750 -2.0740 -0.0290 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1290 -3.3480 -0.0720 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0140 -4.1060 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1600 -3.3500 0.0480 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6990 -2.1250 0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1260 -0.8340 0.0940 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5150 -0.4690 0.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 -5.4860 -0.0460 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2820 -6.1250 -0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3970 -7.3530 -0.1720 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4330 -5.2960 -0.1120 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4350 -3.8900 -0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4530 -3.2140 -0.2580 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -5.9720 -0.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1560 -6.4050 -1.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1080 -7.0300 -2.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5490 -7.5180 -2.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6720 -8.8840 -2.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0530 -8.8740 -0.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6130 -8.3810 -0.8890 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1910 -6.2600 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9220 1.9470 0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6530 1.8620 -0.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5540 1.8290 0.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1590 -0.4960 -0.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7030 0.0990 1.1000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8020 0.1540 -0.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1730 -1.3450 0.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4910 -5.3070 0.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6610 -6.8400 0.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4740 -7.1440 -1.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1790 -5.5280 -2.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0590 -6.0080 -3.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4620 -7.6830 -3.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9320 -7.5710 -3.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1750 -6.7940 -2.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1710 -9.6380 -2.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7280 -9.1720 -2.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0870 -9.8850 -0.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6500 -8.2330 -0.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9630 -9.0440 -1.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2340 -8.2960 0.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7980 -6.0010 -0.8870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9930 -7.3350 -0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7410 -6.0180 0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5570 -7.0070 -1.5270 N 0 3 0 0 0 0 0 0 0 0 0 0 6.1660 -6.3780 -0.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 2 0 0 0 0 2 9 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 5 6 2 0 0 0 0 5 15 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 24 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 17 18 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 18 49 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 23 49 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 49 50 1 0 0 0 0 M CHG 1 49 1 M END