MDPI-ZINC03851978 MOE2007 3D CORINA 3.40 0006 02.08.2006 36 38 0 0 1 0 0 0 0 0999 V2000 0.3810 1.2640 0.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3550 -0.1380 0.2490 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8150 -0.5740 -0.9650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3080 0.2460 -1.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7450 -0.3130 -3.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6830 -1.6840 -3.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2050 -2.5140 -2.3280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7610 -1.9650 -1.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -3.9540 -2.7330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0280 -3.9860 -4.0570 C 0 0 3 0 0 0 0 0 0 0 0 0 2.0850 -2.5060 -4.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4280 -2.0410 -5.5300 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3200 -4.8420 -5.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1450 -5.0660 -6.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5470 -5.5340 -6.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0340 -6.4850 -6.6590 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2960 -4.6940 -5.0400 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4750 -3.7160 -5.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4490 -4.5200 -3.7770 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6520 -5.3200 -4.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6530 -6.2410 -3.8500 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4060 1.6500 0.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2610 1.7950 -0.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0160 1.4420 1.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3660 1.3240 -1.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1290 0.3090 -4.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3750 -2.5990 -0.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6400 -4.5840 -1.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1640 -4.2730 -2.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0870 -5.8230 -4.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3620 -4.3870 -5.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6570 -5.8240 -7.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2230 -4.1530 -6.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9780 -3.8540 -3.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3520 -5.4870 -3.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6310 -4.7980 -5.3240 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 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 25 1 0 0 0 0 5 6 1 0 0 0 0 5 26 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 19 1 0 0 0 0 11 12 2 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 14 33 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 19 1 0 0 0 0 17 20 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 20 21 2 0 0 0 0 20 36 1 0 0 0 0 M CHG 1 36 -1 M END