MDPI-ZINC03846903 MOE2007 3D CORINA 3.40 0006 02.08.2006 58 61 0 0 0 0 0 0 0 0999 V2000 -1.8770 -0.1310 -0.6380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5100 -1.6130 -0.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7280 -1.8370 0.6850 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2770 -3.1140 0.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5720 -4.1800 0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1360 -5.4380 0.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6140 -5.6630 1.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9160 -4.5930 2.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4680 -3.3190 2.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6360 -4.7900 3.5910 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1010 -6.0070 3.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8240 -6.1530 5.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3090 -7.4250 5.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0130 -7.5660 6.5810 N 0 3 0 0 0 0 0 0 0 0 0 0 4.3710 -8.9040 7.0560 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8900 -9.0810 6.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4300 -6.3830 7.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7210 -6.3690 8.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0400 -8.5880 4.6210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3230 -8.4470 3.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8360 -7.1760 3.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0880 -7.0120 1.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7920 -8.1580 1.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1750 -9.0950 1.4170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4480 -10.1660 0.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2310 -10.3190 -0.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1920 -9.4040 -0.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4800 -8.3120 -0.1720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5020 -7.3270 -0.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7520 -6.3800 0.1390 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9670 0.4670 -0.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4590 0.0360 -1.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4680 0.1590 0.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4200 -2.2110 -0.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9190 -1.9030 -1.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5240 -1.0930 1.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 -4.0080 -0.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3670 -6.2590 -0.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6960 -2.4890 2.8010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0250 -5.2950 5.7200 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0380 -9.0250 8.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8890 -9.6540 6.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2220 -8.9600 5.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3720 -8.3310 7.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1560 -10.0760 7.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5090 -6.4130 7.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1680 -5.4840 6.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9830 -7.2690 9.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0310 -5.4890 9.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6420 -6.3400 8.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4130 -9.5600 4.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 -9.3060 2.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7090 -8.9820 2.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1970 -10.8890 0.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0080 -11.1610 -1.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7180 -9.5310 -1.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1560 -7.4790 -1.7470 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8160 -6.8090 -1.9710 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 34 1 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 36 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 7 8 2 0 0 0 0 7 22 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 21 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 13 14 2 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 20 2 0 0 0 0 19 51 1 0 0 0 0 20 21 1 0 0 0 0 20 52 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 53 1 0 0 0 0 25 26 1 0 0 0 0 25 54 1 0 0 0 0 26 27 2 0 0 0 0 26 55 1 0 0 0 0 27 28 1 0 0 0 0 27 56 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 57 1 0 0 0 0 57 58 1 0 0 0 0 M CHG 1 14 1 M END