MDPI-ZINC03848606 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 47 0 0 1 0 0 0 0 0999 V2000 -0.6770 1.3590 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2290 0.0090 0.0180 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4020 -0.4790 -1.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6950 0.2270 -2.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3510 -0.4120 -3.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7250 -1.7610 -3.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4230 -2.4690 -2.0620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7730 -1.8240 -1.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4920 -2.5430 0.1160 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4340 -2.4420 -4.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8950 -2.8570 -4.0590 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8950 -3.5540 -3.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6940 -1.6070 -3.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7120 -2.2890 -4.8830 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8970 -3.3350 -5.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5640 -3.6080 -5.2130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8880 -4.6470 -5.8820 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4850 -5.3530 -6.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7790 -5.0440 -7.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4680 -4.0400 -6.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7520 -3.7380 -7.0260 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4880 -5.6360 -8.3450 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8190 -6.6560 -9.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1660 2.0490 -0.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4080 1.4970 -0.8460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1760 1.5880 0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4250 1.2720 -2.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5590 0.1590 -4.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6780 -3.5210 -1.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0130 -1.9200 0.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8250 -3.3130 -4.6480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4240 -1.7920 -5.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5910 -0.7790 -4.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4020 -1.2560 -2.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7300 -2.6350 -4.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7470 -1.3680 -5.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8810 -4.9380 -5.5910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9060 -6.1360 -7.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9400 -4.3420 -7.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5670 -7.5050 -8.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9290 -6.2620 -9.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5050 -7.0160 -9.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1460 -1.9280 -3.5490 N 0 3 0 0 0 0 0 0 0 0 0 0 6.6690 -1.1310 -3.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2980 -2.7130 -2.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 27 1 0 0 0 0 5 6 1 0 0 0 0 5 28 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 13 43 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 14 43 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 M CHG 1 43 1 M END