MDPI-ZINC04268122 MOE2007 3D CORINA 3.40 0006 02.08.2006 47 51 0 0 1 0 0 0 0 0999 V2000 -0.0180 1.5030 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0220 -0.6640 1.1300 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 0.0120 2.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8680 1.1140 2.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8770 1.8070 3.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 1.4100 4.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8130 0.2920 4.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8240 -0.3960 3.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6840 -0.1330 5.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6210 -0.8810 5.4970 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3570 0.4040 7.0480 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4430 -0.0640 7.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4740 0.1510 8.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5640 0.9240 9.1040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5700 1.9890 9.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8860 2.4840 8.2930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1430 1.9210 6.9230 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0380 2.3820 6.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0270 2.1510 5.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9220 2.9150 6.2910 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.7300 -1.2710 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0210 -0.0580 -2.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0510 -0.8350 -3.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1170 -0.2280 -4.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1190 -0.9940 -6.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0570 -2.3680 -5.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2520 -2.9830 -4.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2670 -2.2240 -3.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5090 -2.8120 -2.4020 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0260 -2.2060 -1.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5080 -2.8530 -0.4060 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.8800 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8640 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8540 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5180 1.4230 1.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5320 2.6560 3.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4790 -1.2450 3.2180 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1890 -0.6400 7.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3630 0.7710 9.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3950 2.3680 10.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1600 3.2700 8.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0140 1.0210 -2.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2440 0.8420 -4.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2580 -0.5260 -7.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0410 -2.9620 -6.8820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3930 -4.0520 -4.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 2 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 6 7 2 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 20 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 9 38 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 14 1 0 0 0 0 12 18 1 0 0 0 0 14 15 2 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 15 40 1 0 0 0 0 16 17 2 0 0 0 0 16 41 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 22 23 2 0 0 0 0 22 31 1 0 0 0 0 23 24 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 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 M END