MDPI-ZINC03845196 MOE2007 3D CORINA 3.40 0006 02.08.2006 52 54 0 0 1 0 0 0 0 0999 V2000 -0.2270 0.4940 1.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 -0.8630 0.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3300 -1.3190 0.9290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3840 -0.4150 0.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1240 0.9470 1.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8200 1.3970 1.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7020 -0.8730 0.8960 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8070 0.0840 0.7980 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4890 0.9470 0.2130 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2120 0.5400 2.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2280 1.5900 2.0990 N 0 3 0 0 0 0 0 0 0 0 0 0 6.0660 2.5230 1.3320 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2360 1.5310 2.7800 O 0 5 0 0 0 0 0 0 0 0 0 0 5.9830 -0.5740 0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3050 -1.8860 0.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3840 -2.4890 -0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1420 -1.7820 -1.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8200 -0.4700 -1.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7380 0.1320 -0.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6460 0.3010 -2.4040 C 0 0 3 0 0 0 0 0 0 0 0 0 8.4900 1.3700 -2.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2240 -0.0840 -3.8230 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8450 0.3500 -4.0580 N 0 3 0 0 0 0 0 0 0 0 0 0 6.4980 1.4740 -3.7410 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0450 -0.4120 -4.5690 O 0 5 0 0 0 0 0 0 0 0 0 0 10.0640 -0.0160 -2.2130 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0440 0.8880 -2.6280 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3890 0.5620 -2.5060 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3550 1.4580 -2.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9860 2.6790 -3.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6480 3.0070 -3.5750 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6760 2.1130 -3.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2460 0.8480 1.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7910 -1.5660 0.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5290 -2.3790 0.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9410 1.6530 1.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6170 2.4550 1.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8860 -1.8250 0.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3380 0.9310 2.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6180 -0.3060 2.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7130 -2.4380 1.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6360 -3.5130 0.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9860 -2.2530 -1.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4840 1.1550 -1.0280 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8850 0.4000 -4.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2900 -1.1660 -3.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3210 -0.8540 -1.7980 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6780 -0.3920 -2.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4010 1.2050 -2.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7440 3.3780 -3.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3630 3.9620 -3.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6320 2.3680 -3.2700 H 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 33 1 0 0 0 0 2 3 2 0 0 0 0 2 34 1 0 0 0 0 3 4 1 0 0 0 0 3 35 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 10 11 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 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 41 1 0 0 0 0 16 17 1 0 0 0 0 16 42 1 0 0 0 0 17 18 2 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 26 1 0 0 0 0 22 23 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 26 27 1 0 0 0 0 26 47 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 28 48 1 0 0 0 0 29 30 1 0 0 0 0 29 49 1 0 0 0 0 30 31 2 0 0 0 0 30 50 1 0 0 0 0 31 32 1 0 0 0 0 31 51 1 0 0 0 0 32 52 1 0 0 0 0 M CHG 1 11 1 M CHG 1 13 -1 M CHG 1 23 1 M CHG 1 25 -1 M END