MDPI-ZINC04266272 MOE2007 3D CORINA 3.40 0006 02.08.2006 45 46 0 0 1 0 0 0 0 0999 V2000 -0.1220 1.5990 -0.1850 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0070 0.0850 -0.1160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6610 -0.3680 1.1830 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7770 -1.8950 1.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4830 -2.3720 2.5230 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4400 -1.8430 2.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7100 -3.8690 2.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9010 -4.4670 2.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3200 -3.9200 2.5320 C 0 0 3 0 0 0 0 0 0 0 0 0 4.4230 -2.8660 2.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8480 -4.2810 3.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0460 -5.8180 3.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6340 -6.1550 2.4100 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1180 -5.9360 2.3970 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2490 -6.7910 2.3540 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0930 -4.9030 1.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6170 -4.6690 1.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6310 -4.8730 0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0750 -7.5120 1.9180 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6810 -2.0970 3.8190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5740 -2.2170 3.7360 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8650 2.0710 -0.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6020 1.9010 -1.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7240 1.9850 0.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0080 -0.3560 -0.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5720 -0.2710 -0.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6600 0.0790 1.2560 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0810 0.0010 2.0370 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2230 -2.3400 1.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3430 -2.2400 0.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8120 -4.4850 2.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7990 -3.7800 4.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1480 -4.0050 4.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0870 -6.0860 4.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4150 -6.3280 4.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0910 -4.7140 2.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1180 -5.4190 0.9660 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8470 -3.6820 1.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8220 -3.8860 -0.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1800 -5.6130 -0.4630 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5680 -5.0850 -0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6870 -8.3070 2.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7040 -7.7110 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1660 -7.5960 1.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3900 -1.7760 4.8180 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 25 1 0 0 0 0 2 26 1 0 0 0 0 3 4 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 20 1 0 0 0 0 7 8 2 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 16 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 13 19 1 0 0 0 0 14 15 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 2 0 0 0 0 20 45 1 0 0 0 0 M CHG 1 45 -1 M END