MDPI-ZINC03844376 MOE2007 3D CORINA 3.40 0006 02.08.2006 43 43 0 0 0 0 0 0 0 0999 V2000 -0.1680 1.5900 0.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1260 0.0610 0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4820 -0.4600 0.1370 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6220 -1.7950 0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6440 -2.5040 0.0950 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9980 -2.4080 0.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8820 -3.8680 0.0860 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9920 -4.6320 0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0880 -4.1110 0.0970 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8730 -6.1340 0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2710 -6.7570 0.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1520 -8.2590 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1900 -8.9700 1.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0810 -10.3330 1.1280 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9350 -10.9720 -0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8390 -12.1840 -0.0630 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8930 -10.2880 -1.2060 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0030 -8.9440 -1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9700 -8.3250 -2.2550 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7340 -11.0080 -2.4720 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1230 -11.1040 2.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3530 -8.2650 2.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 1.9810 0.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6970 1.9550 -0.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6850 1.9230 1.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3910 -0.2730 -0.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4030 -0.3040 1.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5330 -2.1020 1.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5460 -2.0710 -0.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0070 -4.2850 0.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3380 -6.4400 -0.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3260 -6.4720 0.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8060 -6.4520 0.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8180 -6.4200 -0.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6660 -12.0780 -2.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5920 -10.8090 -3.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8230 -10.6710 -2.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1030 -10.9910 2.8370 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9440 -12.1570 2.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3540 -10.7380 3.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4120 -8.0910 2.6840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9370 -8.8830 3.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8270 -7.3100 2.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 2 3 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 8 1 0 0 0 0 7 30 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 13 2 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 22 1 0 0 0 0 14 15 1 0 0 0 0 14 21 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 20 1 0 0 0 0 18 19 2 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 M END