MDPI-ZINC03846384 MOE2007 3D CORINA 3.40 0006 02.08.2006 78 80 0 0 1 0 0 0 0 0999 V2000 2.0540 0.9560 1.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8650 -0.5460 1.4680 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8220 -0.8100 1.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7580 -1.3190 2.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5680 -2.8220 2.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9500 -3.1810 0.7860 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9920 -2.9170 0.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0570 -2.4080 -0.1870 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0140 -2.6720 -0.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -0.9060 0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4190 -2.7490 -1.5510 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4430 -2.7000 -2.4710 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3230 -2.3820 -2.1480 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7440 -3.0410 -3.9080 C 0 0 3 0 0 0 0 0 0 0 0 0 2.5020 -2.3570 -4.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4680 -2.8990 -4.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4860 -4.0390 -4.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1260 -5.3590 -4.8380 C 0 0 3 0 0 0 0 0 0 0 0 0 0.0860 -5.4060 -5.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5550 -5.4570 -4.3890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2560 -4.4490 -3.9890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6560 -6.5100 -4.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6050 -6.2950 -3.5430 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3000 -7.7730 -4.5400 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0990 -8.8300 -3.9480 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.1230 -8.4820 -3.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5120 -9.2130 -2.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9260 -9.7020 -2.7720 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3440 -9.9740 -1.8030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9350 -10.9240 -3.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3480 -10.5420 -5.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0900 -10.0520 -4.8690 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.6900 -10.8460 -4.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6770 -9.6700 -6.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6690 -10.8920 -7.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1150 -9.1810 -6.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7680 -8.5880 -3.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7600 -4.6840 0.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7500 -5.4540 1.4440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3310 -5.0770 0.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0970 1.2200 1.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4180 1.5070 0.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7820 1.2120 2.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -1.0550 2.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4860 -1.0630 3.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2040 -3.3720 2.9160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5250 -3.0860 2.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6100 -0.3550 -0.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2890 -0.6420 -0.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -1.9400 -4.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7130 -2.9610 -5.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6190 -4.0640 -3.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4500 -3.8870 -4.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0240 -6.4300 -4.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2790 -4.6330 -3.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5180 -8.3420 -1.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1120 -10.0070 -2.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9590 -11.2730 -3.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3350 -11.7180 -3.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9480 -9.7480 -5.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3540 -11.4120 -5.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0770 -8.8760 -6.6730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2690 -11.6860 -6.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0870 -10.6200 -8.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6440 -11.2410 -7.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7150 -9.9750 -5.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1210 -8.3100 -5.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5330 -8.9080 -7.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6020 -7.6580 -2.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8230 -8.8560 -3.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4790 -8.4540 -4.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9390 -4.9240 -0.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7620 -5.1000 1.2470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5070 -5.2940 2.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6860 -6.5180 1.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6260 -4.5280 0.3220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1960 -6.1480 0.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1530 -4.8370 1.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 41 1 0 0 0 0 1 42 1 0 0 0 0 1 43 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 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70 1 0 0 0 0 37 71 1 0 0 0 0 38 39 1 0 0 0 0 38 40 1 0 0 0 0 38 72 1 0 0 0 0 39 73 1 0 0 0 0 39 74 1 0 0 0 0 39 75 1 0 0 0 0 40 76 1 0 0 0 0 40 77 1 0 0 0 0 40 78 1 0 0 0 0 M END