MDPI-ZINC03845366 MOE2007 3D CORINA 3.40 0006 02.08.2006 31 32 0 0 0 0 0 0 0 0999 V2000 -0.2440 1.4950 0.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1630 -0.0100 0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0290 -0.7390 -0.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 -2.1180 -0.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0150 -2.7730 -0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8530 -2.0370 0.7900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7800 -0.6580 0.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0590 -4.1670 -0.0210 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0490 -4.8620 -1.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0700 -4.1690 -2.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1760 -4.8570 -3.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2610 -6.2370 -3.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2400 -6.9370 -2.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1290 -6.2550 -1.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1020 -6.9620 -0.0260 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3740 -6.9680 -4.9110 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.3930 -6.3530 -5.9630 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4490 -8.1830 -4.9150 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.9370 1.8140 0.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7440 1.9100 0.2370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5960 1.8500 -0.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7620 -0.2290 -1.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6340 -2.6870 -1.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5870 -2.5430 1.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4580 -0.0850 1.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1850 -4.6540 0.8080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0050 -3.0910 -2.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1930 -4.3150 -4.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3070 -8.0150 -2.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0270 -6.4830 0.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1570 -7.9300 -0.0300 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 22 1 0 0 0 0 4 5 1 0 0 0 0 4 23 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 24 1 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 28 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 14 15 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 M CHG 1 16 1 M CHG 1 18 -1 M END