MDPI-ZINC01719205 MOE2007 3D CORINA 3.40 0006 02.08.2006 62 65 0 0 1 0 0 0 0 0999 V2000 0.4130 1.4260 -0.2440 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5870 -0.0920 -0.3080 C 0 0 3 0 0 0 0 0 0 0 0 0 1.1940 -0.3480 -1.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2830 -0.5660 0.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 0.1780 1.4230 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0230 -0.2190 2.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6240 -1.3730 3.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5590 -2.1110 2.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8860 -1.7070 1.6060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2750 -2.5390 1.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6040 -2.1880 -0.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3780 -0.3450 -1.6950 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2800 -1.7730 4.3560 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8140 -2.9680 4.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0680 0.5140 3.0320 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4200 1.6340 2.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8400 2.8570 2.6680 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2020 3.9920 1.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.9110 0.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7140 2.6970 0.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3600 1.5520 1.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9300 0.3550 1.0160 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6280 2.6260 -0.3820 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9450 3.8450 -1.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6090 5.3390 2.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3350 5.1640 3.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8210 2.8940 3.7770 C 0 0 3 0 0 0 0 0 0 0 0 0 1.8720 2.5080 3.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3040 2.0190 4.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5720 4.3300 5.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3900 1.9010 -0.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0830 1.7740 -1.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1940 1.6860 0.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6590 1.0730 0.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2480 -3.0070 3.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0140 -3.5960 1.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1450 -2.3430 1.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1970 -2.5360 -0.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5420 -2.6610 -0.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7570 -0.6620 -2.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5070 0.7370 -1.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3530 -0.8290 -1.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 -3.1730 5.8690 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7740 -2.8390 5.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8910 -3.8020 4.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4130 4.8020 0.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4490 -0.1460 0.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6850 3.6480 -1.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0430 4.2550 -1.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3510 4.5610 -0.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3320 5.9250 2.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3690 5.8620 1.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0080 6.1320 3.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5520 4.7280 2.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3450 2.2520 5.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6920 2.2130 5.8170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2170 0.9680 4.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6380 3.9620 4.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4400 5.3620 5.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8490 3.7120 6.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7300 -0.7250 -0.4340 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6320 4.2670 4.2550 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 61 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 15 1 0 0 0 0 7 8 2 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 11 61 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 12 61 1 0 0 0 0 13 14 1 0 0 0 0 14 43 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 16 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 27 1 0 0 0 0 18 19 1 0 0 0 0 18 25 1 0 0 0 0 19 20 2 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 22 47 1 0 0 0 0 23 24 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 26 62 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 62 1 0 0 0 0 29 55 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 30 58 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 30 62 1 0 0 0 0 M END