MDPI-ZINC03845199 MOE2007 3D CORINA 3.40 0006 02.08.2006 33 35 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 0.0230 -0.7800 1.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -2.1710 0.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -3.4080 1.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0710 -4.5610 0.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0570 -4.5240 -0.8450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0340 -3.2970 -1.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0240 -2.1160 -0.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0040 -0.7840 -1.1230 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 -0.4490 -2.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0700 -5.8130 -1.3910 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0950 -6.8130 -0.3210 C 0 0 3 0 0 0 0 0 0 0 0 0 0.9970 -7.4200 -0.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0960 -6.0080 0.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1480 -7.7020 -0.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0610 -6.0930 -2.7090 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0740 -7.2460 -3.0850 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0350 -4.9730 -3.7170 C 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 0.0280 -0.4440 2.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0720 -3.4550 2.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0230 -3.2630 -2.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9990 -6.2150 1.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7910 -6.2410 1.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1580 -8.2320 -1.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1300 -8.4240 0.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0420 -7.0840 -0.3160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9180 -4.3460 -3.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0310 -5.3900 -4.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8620 -4.3720 -3.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 1 22 1 0 0 0 0 2 3 2 0 0 0 0 2 10 1 0 0 0 0 3 4 1 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 6 15 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 M END