IFLAB-ZINC04139296 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 1 0 0 0 0 0999 V2000 -0.5680 1.3950 -0.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3650 -0.0900 -0.2200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0080 -0.7840 0.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8410 -2.1620 0.9710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0320 -2.8640 0.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6300 -2.1810 -0.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4700 -0.7960 -1.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1920 -0.0980 -2.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1920 -4.3190 0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2590 -4.8140 -0.1470 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8440 -5.0680 0.7290 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6960 -6.5100 0.9550 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.3060 -6.8960 0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0750 -7.1380 1.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3680 -6.8330 2.0710 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3320 -6.4190 1.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0130 -6.1640 3.3910 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5050 -4.9660 3.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0380 -4.6280 5.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9220 -5.5800 5.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0900 -6.8750 4.5010 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8720 -8.5790 3.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1010 -10.0790 3.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3240 -10.7040 2.0450 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1900 -10.5560 1.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8920 -9.0810 0.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3780 1.9220 -0.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9610 1.6430 -1.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2860 1.7680 0.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6410 -0.2480 1.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3290 -2.6530 1.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2740 -2.7340 -1.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8430 0.6880 -1.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8230 -0.7910 -2.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4730 0.3400 -2.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7280 -4.6250 0.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6280 -6.6510 1.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6820 -7.0150 0.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0140 -8.2080 1.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2210 -4.3510 3.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2090 -3.7320 5.7070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4760 -5.5780 6.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6790 -8.1120 4.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7280 -8.1000 2.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9910 -10.2480 3.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2540 -10.5590 3.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4140 -11.0690 0.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3250 -11.0570 1.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7350 -8.5860 0.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0120 -9.0040 0.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6560 -8.3420 2.2270 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.1650 -8.7490 2.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 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 30 1 0 0 0 0 4 5 1 0 0 0 0 4 31 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 51 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 19 20 2 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 22 51 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 51 52 1 0 0 0 0 M CHG 1 51 1 M END