MDPI-ZINC01719170 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 1 0 0 0 0 0999 V2000 -0.0430 0.9770 0.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5240 0.9740 2.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4590 1.5170 3.7030 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.5070 1.3000 3.4620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2980 3.0160 3.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5670 3.6570 5.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4050 5.0330 5.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9680 5.7660 4.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7130 5.1620 2.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9100 3.7800 2.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6770 3.1540 1.3300 C 0 0 3 0 0 0 0 0 0 0 0 0 0.3790 3.3400 1.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5650 3.7900 0.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0320 3.4170 0.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8890 3.9970 1.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2310 3.6200 1.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7350 2.6660 0.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8980 2.0970 -0.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5560 2.4720 -0.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7880 7.1180 4.1970 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6270 5.7740 6.3240 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0770 5.0660 7.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1400 0.8810 4.9380 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2640 -0.0940 0.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0210 1.1550 0.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3570 1.4080 -0.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5330 1.1570 2.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6670 -0.1070 2.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8900 3.0480 5.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3710 5.7890 2.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4900 4.8840 0.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1650 3.5050 -0.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5300 4.7580 1.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8870 4.0770 2.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7820 2.3780 0.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2970 1.3660 -1.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9300 2.0240 -1.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0130 7.3320 5.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3320 4.3350 7.8040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2110 5.7930 8.2810 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0460 4.5900 7.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6070 0.0280 4.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8330 1.6210 1.2880 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.8270 1.4270 1.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 43 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 2 43 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 23 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 21 1 0 0 0 0 8 9 2 0 0 0 0 8 20 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 43 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 17 18 2 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 43 44 1 0 0 0 0 M CHG 1 43 1 M END