MDPI-ZINC03846338 MOE2007 3D CORINA 3.40 0006 02.08.2006 30 31 0 0 1 0 0 0 0 0999 V2000 -0.0550 1.5950 -0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0390 0.0530 -0.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6540 -0.5200 1.2230 C 0 0 3 0 0 0 0 0 0 0 0 0 0.1970 -0.2200 2.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1110 -0.0180 1.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3560 -0.1230 -0.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9940 -0.6410 -0.9760 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8920 -2.1340 -0.5530 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7020 -2.0530 0.9780 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5870 -2.4790 1.4720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4590 -2.8950 1.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1140 -2.3700 2.4790 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8280 -0.4340 -2.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5030 -0.3900 -0.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9290 2.0650 -0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4960 1.9400 -1.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6590 2.0030 0.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2150 1.0170 1.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8260 -0.6190 1.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6240 0.8540 -0.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1810 -0.8090 -0.6640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0600 -2.6380 -1.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8030 -2.6890 -0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8980 0.6260 -2.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6050 -0.9690 -3.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1430 -0.8030 -2.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9210 0.0450 -1.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6450 -1.4680 -0.3270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1180 -0.0500 0.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6000 -4.0330 1.0040 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 14 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 5 6 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 8 1 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 11 30 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 M CHG 1 30 -1 M END