MDPI-ZINC01531503 MOE2007 3D CORINA 3.40 0006 02.08.2006 42 43 0 0 1 0 0 0 0 0999 V2000 -2.7570 1.7130 -0.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4360 0.2580 -0.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1370 0.1740 -2.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2910 -0.2520 -0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8670 -1.7450 -0.1200 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.2680 -1.9860 0.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0480 -2.7060 -0.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9780 -2.6440 0.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0700 -3.5040 0.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2750 -4.4530 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3430 -4.5450 -1.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2200 -3.6930 -1.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2150 -3.8360 -2.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1670 -3.3860 -1.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5010 -1.4350 -0.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4020 -5.2170 0.1270 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6650 -6.1860 -0.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9600 -3.4000 2.0080 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6040 2.0860 -1.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0270 1.7990 0.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9000 2.3690 -0.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3430 -0.3250 -0.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1260 -0.8640 -2.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9110 0.6860 -3.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1760 0.6370 -2.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4200 0.3990 -0.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6060 -0.0760 1.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8720 -1.9260 1.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4580 -5.2780 -1.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1510 -4.8840 -2.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5500 -3.2490 -3.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5480 -3.9830 -0.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8730 -3.4390 -2.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9060 -1.9900 -0.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4520 -0.3670 -0.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1120 -1.5940 -1.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5970 -6.6960 -0.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8070 -5.7110 -1.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8710 -6.9400 -0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6390 -4.0800 1.8260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1090 -1.9440 -1.2900 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.2390 -1.4010 -2.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 22 1 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 26 1 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 41 1 0 0 0 0 7 8 1 0 0 0 0 7 12 2 0 0 0 0 8 9 2 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 18 1 0 0 0 0 10 11 2 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 12 13 1 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 32 1 0 0 0 0 14 33 1 0 0 0 0 14 41 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 15 41 1 0 0 0 0 16 17 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 40 1 0 0 0 0 41 42 1 0 0 0 0 M CHG 1 41 1 M END