MDPI-ZINC04293110 MOE2007 3D CORINA 3.40 0006 02.08.2006 71 75 0 0 1 0 0 0 0 0999 V2000 -0.8200 1.4650 0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3270 0.0160 -0.0230 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.1670 -0.5640 -0.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8440 -0.0490 -1.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5730 0.5910 -2.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7330 0.4260 -3.3880 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8760 0.2400 -2.8850 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1000 -0.5790 1.3550 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9860 -0.0140 1.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9540 -0.3840 2.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6980 -1.4690 3.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4810 -2.3260 2.9930 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2970 -3.3840 3.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4060 -2.1030 1.4490 C 0 0 3 0 0 0 0 0 0 0 0 0 1.7290 -2.5320 0.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7960 -3.3550 -0.0900 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9800 -1.9380 1.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0910 -2.3850 2.8710 C 0 0 3 0 0 0 0 0 0 0 0 0 3.0540 -3.4860 2.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8400 -1.9230 3.6800 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8480 -0.8290 3.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9570 -2.5180 5.1090 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9500 -3.6130 5.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2370 -2.0560 5.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5020 -2.4530 5.0250 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5300 -3.5520 5.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4700 -1.9860 3.5360 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7290 -0.4560 3.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0170 -0.0210 4.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0820 -0.4800 5.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7660 -1.9760 5.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4170 -0.2550 6.1290 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3020 0.8660 7.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9050 0.7410 7.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1590 0.3030 6.4060 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6060 -2.7220 2.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -2.1520 5.9460 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9170 -1.1920 6.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7250 -2.9630 0.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0170 2.1180 0.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1950 1.8680 -0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6550 1.5360 0.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7270 0.4240 -0.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1030 -1.0950 -1.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3340 0.1560 -2.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4140 1.6690 -2.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8710 0.6120 2.9090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9740 -0.4840 2.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5300 -1.0020 4.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5940 -2.0930 3.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8190 -2.3010 0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9550 -0.8510 1.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1790 -0.9730 5.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2710 -2.4810 6.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7960 -0.1280 2.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8900 0.0950 3.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8920 -0.3900 3.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0840 1.0740 4.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6680 -2.2240 6.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6310 -2.5580 5.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0710 0.8330 7.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4260 1.7770 6.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8360 -0.0330 8.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5030 1.6790 7.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7370 -2.3240 1.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5790 -2.6330 3.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3900 -3.7940 2.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7680 -2.8510 -0.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5560 -4.0280 1.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7140 -2.7120 1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3940 0.5220 -4.6030 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 40 1 0 0 0 0 1 41 1 0 0 0 0 1 42 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 4 5 1 0 0 0 0 4 43 1 0 0 0 0 4 44 1 0 0 0 0 5 6 1 0 0 0 0 5 45 1 0 0 0 0 5 46 1 0 0 0 0 6 7 2 0 0 0 0 6 71 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 10 11 1 0 0 0 0 10 47 1 0 0 0 0 10 48 1 0 0 0 0 11 12 1 0 0 0 0 11 49 1 0 0 0 0 11 50 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 20 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 27 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 37 1 0 0 0 0 24 25 1 0 0 0 0 24 53 1 0 0 0 0 24 54 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 31 1 0 0 0 0 27 28 1 0 0 0 0 27 36 1 0 0 0 0 28 29 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 29 30 1 0 0 0 0 29 57 1 0 0 0 0 29 58 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 35 1 0 0 0 0 31 59 1 0 0 0 0 31 60 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 61 1 0 0 0 0 33 62 1 0 0 0 0 34 35 1 0 0 0 0 34 63 1 0 0 0 0 34 64 1 0 0 0 0 36 65 1 0 0 0 0 36 66 1 0 0 0 0 36 67 1 0 0 0 0 37 38 1 0 0 0 0 39 68 1 0 0 0 0 39 69 1 0 0 0 0 39 70 1 0 0 0 0 M CHG 1 71 -1 M END