MDPI-ZINC02032106 MOE2007 3D CORINA 3.40 0006 02.08.2006 44 46 0 0 1 0 0 0 0 0999 V2000 -0.2010 1.5350 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1270 0.1160 -0.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5430 -0.5080 1.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1680 0.1560 2.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8410 -0.5570 3.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8570 -1.9660 3.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2510 -2.6240 1.9660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5910 -1.9120 0.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0280 -2.4900 -0.1260 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0710 -3.9090 -0.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5810 -2.7580 4.1350 C 0 0 3 0 0 0 0 0 0 0 0 0 3.5300 -3.1100 3.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5700 -0.5880 4.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5020 0.2220 4.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7640 -3.9580 4.6820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4600 -4.7120 5.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9400 -4.6930 7.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5960 -5.3610 8.1350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7730 -6.0520 7.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2970 -6.0910 6.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6410 -5.4270 5.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4490 -6.7170 8.8470 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9510 -6.6480 9.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7950 1.9830 -0.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7700 1.8530 -0.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7350 1.8900 0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1530 1.2410 2.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3100 -3.7060 1.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6340 -4.1850 -1.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9360 -4.3280 -0.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5940 -4.3310 0.6710 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4370 -0.8020 4.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9060 -0.0870 5.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9660 1.1310 3.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7250 0.5300 4.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7830 -3.6060 5.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5530 -4.6810 3.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0140 -4.1660 7.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1750 -5.3350 9.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2120 -6.6450 6.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0580 -5.4830 4.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9800 -1.8940 5.3140 N 0 3 0 0 0 0 0 0 0 0 0 0 2.1590 -1.7290 5.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6520 -2.4130 5.8990 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 14 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 7 8 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 42 1 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 13 42 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 M CHG 1 42 1 M END