MDPI-ZINC03844240 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 44 0 0 1 0 0 0 0 0999 V2000 0.7280 0.7090 0.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0290 -0.6490 0.2120 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3630 -0.9390 -1.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6040 -2.2910 -1.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9490 -2.7260 -2.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0550 -1.8110 -3.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8260 -0.4530 -3.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4790 -0.0190 -2.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 -2.2990 -5.0670 C 0 0 3 0 0 0 0 0 0 0 0 0 2.3820 -3.3940 -5.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4090 -1.8260 -6.1240 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5340 -2.6080 -7.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4450 -2.2930 -8.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2290 -1.2450 -8.2670 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8430 -1.8440 -5.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1360 -0.6750 -5.6610 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9340 -2.8440 -5.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1550 -2.4710 -4.8180 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2040 -3.3910 -4.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0470 -4.6800 -5.2770 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8300 -5.0420 -5.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7740 -4.1250 -5.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1500 -5.4810 -5.1570 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0480 -6.8030 -5.6710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6010 1.3510 0.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1320 1.0590 -0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4610 0.7700 1.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5170 -3.0150 -0.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1250 -3.7860 -2.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9200 0.2840 -4.2040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3080 1.0420 -1.9790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3900 -1.9540 -5.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5300 -0.7550 -6.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5030 -2.4040 -7.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4890 -3.6830 -7.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2950 -1.4700 -4.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1500 -3.0990 -4.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6700 -6.0280 -6.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8480 -4.4270 -6.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2720 -7.3710 -5.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8710 -6.7930 -6.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0040 -7.3050 -5.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3620 -3.1420 -9.3920 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 28 1 0 0 0 0 5 6 1 0 0 0 0 5 29 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 2 0 0 0 0 13 43 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 18 19 2 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 20 21 2 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 M CHG 1 43 -1 M END