MDPI-ZINC03844452 MOE2007 3D CORINA 3.40 0006 02.08.2006 55 56 0 0 0 0 0 0 0 0999 V2000 -0.2190 -0.6820 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3890 -1.7730 0.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7220 -1.7010 1.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 -0.5010 0.8370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8200 0.6020 0.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4940 0.5030 -0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6240 1.7030 0.0900 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9970 2.9230 -0.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 4.0690 -0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9080 4.0670 -1.2920 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9540 5.0310 -1.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8880 4.9910 -2.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3400 5.7790 -3.3940 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1330 5.6740 -4.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5880 6.6180 -5.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0990 7.9390 -5.4340 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6090 8.8660 -6.4100 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3000 10.2200 -6.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5980 10.1560 -6.8430 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2850 11.3360 -6.9680 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9340 12.5520 -6.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7230 13.6860 -6.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8660 13.6100 -7.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2440 12.3980 -7.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4400 11.2660 -7.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4830 12.3090 -8.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7800 11.1620 -9.3150 O 0 5 0 0 0 0 0 0 0 0 0 0 2.3860 -2.8810 1.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6110 -2.7480 2.0420 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.2510 -0.7590 -0.3310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1780 -2.6900 0.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4610 -0.4260 1.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0120 1.3240 -0.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6730 2.8320 -1.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1420 3.1340 0.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4640 5.0240 -0.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5620 3.9660 0.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5150 6.0280 -1.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5200 4.7660 -0.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8560 5.4240 -2.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0300 3.9590 -2.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1760 5.9180 -4.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0660 4.6420 -4.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9280 6.2790 -6.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4930 6.6430 -5.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7920 8.4710 -7.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5310 8.9840 -6.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6970 10.9780 -6.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4000 10.4620 -5.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0590 12.6520 -5.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4480 14.6330 -6.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4700 14.5010 -7.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7180 10.3150 -8.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1320 13.3840 -9.0560 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6720 -3.9140 1.9350 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 28 1 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 44 1 0 0 0 0 15 45 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 18 19 1 0 0 0 0 18 48 1 0 0 0 0 18 49 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 50 1 0 0 0 0 22 23 1 0 0 0 0 22 51 1 0 0 0 0 23 24 2 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 53 1 0 0 0 0 26 27 1 0 0 0 0 26 54 2 0 0 0 0 28 29 1 0 0 0 0 28 55 2 0 0 0 0 M CHG 1 27 -1 M CHG 1 29 -1 M END