MDPI-ZINC03844293 MOE2007 3D CORINA 3.40 0006 02.08.2006 48 51 0 0 1 0 0 0 0 0999 V2000 1.2400 1.1200 -2.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9050 -0.0190 -2.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8400 -0.6250 -1.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1110 -0.0920 -1.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4460 1.0470 -1.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5100 1.6540 -2.8150 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1310 -0.7510 -0.3980 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6780 -1.6070 0.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3240 -1.2200 -1.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0880 0.0000 -1.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3380 0.1610 -2.8770 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5290 1.0120 -0.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3050 1.4250 0.1550 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6350 2.0270 -0.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6040 0.2120 0.6050 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4020 -0.0150 1.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8900 0.7290 2.7450 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5880 -1.1700 2.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7980 -1.7450 3.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0340 -2.8230 4.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0620 -3.3340 3.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8480 -2.7690 1.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6010 -1.6870 1.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7510 2.2260 1.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1710 3.4520 1.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5800 4.1860 2.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5690 3.6950 3.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1480 2.4680 3.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7360 1.7310 2.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5100 1.5910 -3.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0880 -0.4360 -2.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5790 -1.5150 -0.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4390 1.4640 -1.9120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7720 2.5440 -3.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -1.8500 -0.6340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9670 -1.7820 -2.1020 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2800 0.5670 -0.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9470 1.8870 -1.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5570 -1.3480 4.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1960 -3.2690 4.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4670 -4.1780 3.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0870 -3.1720 1.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4300 -1.2440 0.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3990 3.8360 0.9670 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1280 5.1450 2.9220 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8890 4.2690 4.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9210 2.0840 3.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1860 0.7710 1.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 24 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 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 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 23 43 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 44 1 0 0 0 0 26 27 1 0 0 0 0 26 45 1 0 0 0 0 27 28 2 0 0 0 0 27 46 1 0 0 0 0 28 29 1 0 0 0 0 28 47 1 0 0 0 0 29 48 1 0 0 0 0 M END