MDPI-ZINC03844585 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 55 0 0 0 0 0 0 0 0999 V2000 -1.1690 1.3190 0.8380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4280 0.0310 0.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7840 -0.0430 0.7520 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2810 -0.9730 0.1510 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9410 -2.3020 -0.1800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9790 -3.1450 -0.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7220 -4.4770 -0.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4250 -4.9900 -0.8640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6120 -4.1460 -0.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3570 -2.8140 -0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1650 -6.3200 -1.2270 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2370 -7.0540 -0.2160 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0080 -8.3980 -0.5830 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3160 -8.9440 -0.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4230 -8.1940 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7010 -8.7500 0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8880 -10.0760 -0.3040 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8200 -10.8490 -0.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5320 -10.2950 -0.8520 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4560 -11.0670 -1.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8280 -10.5280 -1.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0670 -9.2030 -1.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3690 -8.6720 -1.1410 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0110 -8.8830 -0.0880 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2600 -8.2420 -0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3230 -8.7950 -0.8800 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5580 -8.1460 -0.9260 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7390 -6.9440 -0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6920 -6.3930 0.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4580 -7.0440 0.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5400 -10.8000 -0.2470 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5530 -11.6700 -1.4200 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4180 -9.6360 -0.3340 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4730 2.0820 1.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6340 1.6700 -0.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9410 1.1600 1.5970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2620 -0.7320 0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0010 -2.7820 -0.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5370 -5.1180 -1.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6290 -4.5280 -0.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1990 -2.2050 0.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2970 -7.1560 0.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5350 -8.1480 0.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0030 -11.8810 -1.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6090 -12.1040 -1.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6480 -11.1460 -1.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1830 -9.7320 -1.4130 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3780 -8.5780 -1.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7000 -6.4370 -0.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8330 -5.4600 1.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6420 -6.6150 1.1170 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5240 -11.4810 1.0440 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 4 37 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 7 39 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 10 41 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 22 2 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 17 18 2 0 0 0 0 17 31 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 45 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 27 48 1 0 0 0 0 28 29 2 0 0 0 0 28 49 1 0 0 0 0 29 30 1 0 0 0 0 29 50 1 0 0 0 0 30 51 1 0 0 0 0 31 32 2 0 0 0 0 31 33 2 0 0 0 0 31 52 1 0 0 0 0 M CHG 1 52 -1 M END