MDPI-ZINC03843070 MOE2007 3D CORINA 3.40 0006 02.08.2006 40 42 0 0 0 0 0 0 0 0999 V2000 -0.0170 1.4250 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2010 -0.6380 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3740 0.0990 0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5960 -0.5460 0.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6520 -1.9280 0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4850 -2.6690 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2570 -2.0280 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1080 -2.7560 -0.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8710 0.2570 0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3100 0.5330 -1.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1620 -0.3660 -2.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6320 -1.5360 -1.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4590 -2.3760 -2.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8480 -2.0870 -3.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4070 -0.9570 -4.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5570 -0.0750 -3.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0710 1.1040 -3.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2480 1.9110 -3.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9000 1.6170 -1.9800 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.6720 -2.9430 -4.0680 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0320 -2.5960 -5.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9130 -3.5080 -1.4920 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0050 1.8020 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 1.7860 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5280 1.7760 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3340 1.1790 0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6090 -2.4290 0.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5310 -3.7480 0.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2340 -2.9750 0.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6480 -0.3050 0.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6990 1.2010 0.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3390 -1.7690 -0.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7120 -0.7450 -5.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3460 1.3640 -4.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8720 2.8180 -3.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1330 -2.5260 -6.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6910 -3.3610 -5.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5470 -1.6350 -5.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7460 -3.3930 -1.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 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 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 6 7 2 0 0 0 0 6 28 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 9 30 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 20 2 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 23 1 0 0 0 0 15 16 2 0 0 0 0 15 21 1 0 0 0 0 16 17 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 35 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 21 22 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 M END