IFLAB-ZINC04059682 MOE2007 3D CORINA 3.40 0006 02.08.2006 54 57 0 0 0 0 0 0 0 0999 V2000 0.0270 1.4890 -0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -0.0180 -0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0680 -0.7140 1.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0820 -2.0970 1.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0700 -2.7820 -0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0420 -2.0860 -1.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -0.7030 -1.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0290 -2.8330 -2.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3560 -3.0900 -2.9510 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0530 -4.2490 -2.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2970 -4.1540 -3.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4030 -2.8340 -3.8290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1580 -2.2070 -3.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9590 -0.9220 -4.1320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9810 -0.2780 -4.7950 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2080 -0.8990 -4.9770 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4220 -2.1650 -4.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5580 -5.3830 -3.1180 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.7540 -6.7340 -2.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7200 -7.8800 -2.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8410 -7.7940 -2.5150 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3390 -9.0010 -1.4140 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2650 -10.0270 -1.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2490 -10.2960 -2.1280 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1620 -11.3090 -1.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0950 -12.0560 -0.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1130 -11.7870 0.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1960 -10.7790 -0.0210 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9940 -13.0520 -0.5160 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8670 -13.7810 0.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0510 1.8630 -0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5050 1.8510 -0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4760 1.8430 0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 -0.1790 2.0970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1040 -2.6410 2.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0810 -3.8620 -0.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0010 -0.1590 -2.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5240 -2.2350 -3.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5550 -3.7810 -2.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6600 -5.1050 -2.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0080 -0.4300 -3.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8240 0.7200 -5.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9990 -0.3800 -5.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3810 -2.6410 -4.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8760 -7.0700 -2.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4500 -6.3800 -1.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4240 -9.0970 -1.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3010 -9.7140 -3.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9270 -11.5180 -2.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0620 -12.3690 1.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4290 -10.5730 0.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6440 -14.5440 0.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8870 -14.2570 0.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9740 -13.0980 1.5500 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 2 0 0 0 0 3 4 2 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 35 1 0 0 0 0 5 6 2 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 11 18 1 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 15 16 2 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 49 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 50 1 0 0 0 0 28 51 1 0 0 0 0 29 30 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 M END