MDPI-ZINC03851928 MOE2007 3D CORINA 3.40 0006 02.08.2006 72 74 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 3 0 0 0 0 0 0 0 0 0 0.5120 -0.3560 -0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4120 -0.5260 0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7900 -1.2330 0.9220 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2560 -0.2060 -0.9880 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6300 -0.7130 -0.9780 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.6440 -1.7150 -0.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1660 -0.7640 -2.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3630 -1.7860 -3.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8910 -1.8360 -4.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8140 -1.1270 -4.9550 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4960 0.2010 -0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0130 1.1790 0.3800 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8080 -0.0700 0.0020 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7110 -0.4890 1.1890 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0540 -0.6000 1.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6760 -0.2970 0.1770 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7830 -1.0990 2.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2860 -1.1290 2.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0260 -1.6350 3.3540 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5300 -1.6650 3.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2390 -2.1500 4.2600 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5820 -2.2610 4.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2040 -1.9580 3.2490 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3110 -2.7600 5.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8150 -2.7890 5.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5550 -3.2960 6.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0720 -4.7070 6.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5680 -4.6780 7.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8280 -4.1710 5.8070 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2870 -3.7440 8.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7700 -2.3330 7.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2740 -2.3620 7.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0300 -1.8260 6.6450 C 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 -1.9530 0.3600 -1.7160 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2160 -1.0560 -2.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0690 0.2200 -2.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3130 -1.4930 -3.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4600 -2.7690 -2.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1940 -0.8520 -0.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3650 0.5180 0.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2130 -0.7310 1.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5830 -0.4340 3.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4380 -2.1040 2.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4860 -1.7940 1.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6310 -0.1230 1.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8260 -0.9700 4.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6820 -2.6410 3.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7300 -2.3300 2.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8740 -0.6600 2.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7410 -2.3920 5.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0150 -3.4550 4.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1590 -1.7840 4.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6260 -3.3170 6.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2720 -5.3730 5.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5990 -5.0680 7.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2240 -5.6830 7.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7560 -4.1500 6.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0280 -4.8360 4.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2160 -3.7230 8.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8140 -4.1050 9.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5700 -1.6680 8.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8010 -2.7240 8.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6180 -1.3570 7.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3740 -0.8210 6.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9590 -1.8050 6.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3360 -2.6680 -5.5250 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7080 -2.6640 -6.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 16 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 39 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 10 11 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 11 12 2 0 0 0 0 11 71 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 46 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 22 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 23 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 23 24 1 0 0 0 0 23 55 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 26 31 1 0 0 0 0 26 35 1 0 0 0 0 27 28 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 28 29 1 0 0 0 0 28 34 1 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 29 60 1 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 30 61 1 0 0 0 0 31 62 1 0 0 0 0 31 63 1 0 0 0 0 32 33 1 0 0 0 0 32 64 1 0 0 0 0 32 65 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 33 66 1 0 0 0 0 34 67 1 0 0 0 0 34 68 1 0 0 0 0 35 69 1 0 0 0 0 35 70 1 0 0 0 0 71 72 1 0 0 0 0 M END