MDPI-ZINC03851747 MOE2007 3D CORINA 3.40 0006 02.08.2006 64 66 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5260 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -0.4980 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 -2.0270 -1.2650 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2790 -2.4050 -1.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3340 -2.5140 -2.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5660 -3.2180 -3.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 -3.6960 -4.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2760 -5.0650 -4.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8210 -5.5040 -6.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2430 -4.5910 -7.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1220 -3.2330 -6.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5730 -2.7800 -5.6790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8490 -3.5020 -3.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8670 -2.9510 -3.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1860 -3.2210 -3.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5010 -4.0360 -2.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4970 -4.5850 -1.7540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1740 -4.3290 -2.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6870 -2.2420 -2.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1680 -2.6360 -3.9110 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4470 -1.5460 -1.9920 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8060 -1.3070 -2.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5040 -0.5100 -1.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5510 -2.5120 -0.1410 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5470 -2.8770 1.2460 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4900 -3.2540 2.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8590 -3.0700 2.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6510 -3.3580 3.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0760 -3.8300 4.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7070 -4.0150 4.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0850 -3.7310 3.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8950 -3.3310 2.1020 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2840 -4.0000 0.3490 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8870 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8770 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5290 -0.3650 0.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0200 -0.3810 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 -0.1360 -2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7410 -0.1200 -1.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9470 -5.7790 -4.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9190 -6.5630 -6.3340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6700 -4.9400 -8.0240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4540 -2.5250 -7.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4740 -1.7200 -5.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6220 -2.3140 -4.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9740 -2.7940 -4.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5350 -4.2440 -2.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7500 -5.2200 -0.9170 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3920 -4.7620 -1.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3180 -2.2600 -2.5010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8350 -0.7410 -3.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9920 0.4430 -1.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4750 -1.0760 -0.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5400 -0.3280 -1.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 -3.3140 -0.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3080 -2.7020 1.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7200 -3.2140 3.6520 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6950 -4.0540 5.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2570 -4.3830 5.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1530 -3.8780 3.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3110 -2.6090 2.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0540 -3.6420 -0.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 2 3 1 0 0 0 0 2 38 1 0 0 0 0 2 39 1 0 0 0 0 3 4 1 0 0 0 0 3 40 1 0 0 0 0 3 41 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 25 1 0 0 0 0 6 7 2 0 0 0 0 6 20 1 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 42 1 0 0 0 0 10 11 1 0 0 0 0 10 43 1 0 0 0 0 11 12 2 0 0 0 0 11 44 1 0 0 0 0 12 13 1 0 0 0 0 12 45 1 0 0 0 0 13 46 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 47 1 0 0 0 0 16 17 1 0 0 0 0 16 48 1 0 0 0 0 17 18 2 0 0 0 0 17 49 1 0 0 0 0 18 19 1 0 0 0 0 18 50 1 0 0 0 0 19 51 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 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 24 56 1 0 0 0 0 25 26 1 0 0 0 0 25 57 1 0 0 0 0 26 27 1 0 0 0 0 26 33 2 0 0 0 0 26 34 2 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 28 58 1 0 0 0 0 29 30 1 0 0 0 0 29 59 1 0 0 0 0 30 31 2 0 0 0 0 30 60 1 0 0 0 0 31 32 1 0 0 0 0 31 61 1 0 0 0 0 32 62 1 0 0 0 0 33 63 1 0 0 0 0 34 64 1 0 0 0 0 M END