MDPI-ZINC03846905 MOE2007 3D CORINA 3.40 0006 02.08.2006 50 54 0 0 0 0 0 0 0 0999 V2000 -0.7600 1.5590 0.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6360 0.0600 0.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5350 -0.6570 1.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4180 -2.0640 1.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4080 -2.7190 0.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5160 -1.9270 -0.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6330 -0.5620 -0.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7460 0.2200 -2.0100 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2990 -4.0510 0.0850 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.1990 -4.7740 1.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0820 -6.1730 1.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0200 -6.8870 2.3300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0090 -6.2460 3.5770 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1020 -4.8980 3.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2090 -4.1100 2.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3170 -2.7870 2.5930 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1350 -8.2750 2.2770 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8480 -8.9550 3.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4860 -10.2480 3.6220 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1930 -10.9180 4.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2600 -10.3020 5.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6230 -9.0140 4.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9240 -8.3410 3.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2900 -4.6680 -1.1400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 -5.3450 -1.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8520 -5.9640 -2.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2720 -5.9140 -3.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4060 -5.2440 -3.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4240 -4.6270 -1.9540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2330 2.0080 0.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3370 1.9220 -0.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2670 1.8340 1.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5430 -0.1550 2.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5110 -2.3870 -1.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8250 1.1840 -1.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7450 -0.2000 -2.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0720 -6.6840 0.2060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 -6.8390 4.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1080 -4.4290 4.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2790 -8.7680 1.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3480 -10.7300 3.1320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9120 -11.9240 4.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8110 -10.8280 5.9950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4560 -8.5360 5.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2110 -7.3370 3.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7290 -5.3840 -0.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7340 -6.4880 -3.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2660 -6.4000 -4.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2810 -5.2090 -3.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3110 -4.1080 -1.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 2 3 2 0 0 0 0 2 7 1 0 0 0 0 3 4 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 16 2 0 0 0 0 5 6 1 0 0 0 0 5 9 2 0 0 0 0 6 7 2 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 24 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 14 2 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 21 22 2 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 46 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 27 28 2 0 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 28 49 1 0 0 0 0 29 50 1 0 0 0 0 M CHG 1 9 1 M END