MDPI-ZINC03847136 MOE2007 3D CORINA 3.40 0006 02.08.2006 86 90 0 0 0 0 0 0 0 0999 V2000 0.1460 2.4530 -0.9580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0130 0.9340 -0.8680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7450 0.2810 -1.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0850 -0.1400 -1.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9220 -0.0580 -0.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1630 -0.6080 -0.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7550 -1.4940 -1.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1560 -2.2730 -2.5490 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0570 -2.8920 -3.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7560 -3.6790 -4.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1710 -4.9640 -4.7620 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6060 -5.3130 -5.9720 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7990 -4.2440 -6.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9490 -3.2370 -5.4780 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5900 -2.3390 -5.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0270 -4.2540 -7.5600 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0830 -3.3360 -7.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6020 -2.3080 -7.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6310 -2.2300 -5.7580 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1970 -1.0420 -5.3410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2390 -0.5750 -4.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2190 -0.0500 -3.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2340 0.1160 -3.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0260 -1.1010 -3.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3890 -0.5750 -3.2390 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2660 -0.8090 -3.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7410 -0.3100 -6.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9560 -1.0780 -7.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5900 -0.7210 -8.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8020 -0.1040 -9.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1460 1.0750 -6.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2700 2.1120 -6.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8270 -6.6170 -6.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7020 -7.5920 -6.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0490 -5.8780 -3.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1900 -6.6480 -2.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3520 -2.5780 -2.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1980 -1.7280 -1.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2990 -1.1570 -0.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6880 0.2260 -1.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6800 -3.0490 -3.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1320 -2.1220 -4.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2020 2.7130 -0.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2480 2.8040 -1.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4020 2.9250 -0.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3810 0.5840 0.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0690 0.6740 -0.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5490 0.5100 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7480 -0.3360 0.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1890 -5.0830 -8.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6650 -3.4030 -8.9250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6280 1.0160 -3.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3240 0.2030 -4.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0090 -1.1380 -2.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0570 -1.0230 -3.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5760 -2.0090 -3.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2810 -1.6200 -9.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2310 -0.0030 -8.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1100 0.7950 -9.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6220 -0.8220 -9.6900 H 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8.4840 0.6390 -0.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4200 -3.0340 -2.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5780 -4.0650 -3.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3520 -2.0670 -5.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3200 -1.1260 -4.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0460 -2.5120 -4.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 43 1 0 0 0 0 1 44 1 0 0 0 0 1 45 1 0 0 0 0 2 3 1 0 0 0 0 2 46 1 0 0 0 0 2 47 1 0 0 0 0 3 4 2 0 0 0 0 3 22 1 0 0 0 0 4 5 1 0 0 0 0 4 25 1 0 0 0 0 5 6 2 0 0 0 0 5 48 1 0 0 0 0 6 7 1 0 0 0 0 6 49 1 0 0 0 0 7 8 2 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 11 12 2 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 16 2 0 0 0 0 14 15 1 0 0 0 0 16 17 1 0 0 0 0 16 50 1 0 0 0 0 17 18 2 0 0 0 0 17 51 1 0 0 0 0 18 19 1 0 0 0 0 18 28 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 27 1 0 0 0 0 21 22 2 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 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