MDPI-ZINC04273442 MOE2007 3D CORINA 3.40 0006 02.08.2006 66 73 0 0 1 0 0 0 0 0999 V2000 0.0610 1.3690 0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0660 -0.0010 0.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3140 -0.6310 0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5210 0.1160 0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4970 1.5060 0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2420 2.1130 0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1610 3.5930 0.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3410 4.3370 0.1510 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3370 5.7080 0.1870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0890 6.3370 0.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1180 5.5910 0.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0940 4.2010 0.2490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1470 6.4860 0.3540 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0880 6.2530 0.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6510 7.7620 0.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7010 7.7330 0.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6020 8.9420 0.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8090 10.1760 -0.1180 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3510 11.0830 0.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4900 10.1480 0.5750 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4520 9.0400 0.4090 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.0400 9.1640 -0.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3370 9.0840 1.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2640 10.5840 2.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9530 11.0530 1.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4010 12.0970 1.7240 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5960 10.1280 -1.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5250 10.1090 -2.0600 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5500 -0.7790 -0.0340 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4910 -0.5460 -0.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0540 -2.0560 -0.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7030 -2.0260 0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8030 -3.2360 0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5530 -4.4420 -0.5400 C 0 0 3 0 0 0 0 0 0 0 0 0 1.6180 -4.3460 -1.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9050 -4.4500 0.0440 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8530 -3.3320 -0.1390 C 0 0 3 0 0 0 0 0 0 0 0 0 4.3650 -3.4050 -1.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8370 -3.4440 1.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7920 -4.9620 1.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4350 -5.4010 0.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9050 -6.4600 1.0860 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8320 -5.7160 -0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7140 -6.0390 0.9760 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8840 1.8890 0.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8520 -0.5700 0.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4070 2.0880 0.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2870 3.8180 0.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2550 6.2760 0.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0040 3.6190 0.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9750 9.1010 1.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4420 8.7800 -0.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3610 8.7880 1.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9220 8.4620 2.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0990 11.1290 1.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2580 10.7060 3.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5160 -3.4520 1.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0900 -3.0390 -0.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8390 -3.1330 0.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4890 -2.8670 1.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5870 -5.4800 0.7990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8730 -5.1440 2.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6520 10.1050 -2.4380 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3210 -6.4930 -1.1510 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1320 -7.3000 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4660 10.0740 -3.3860 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 45 1 0 0 0 0 2 3 2 0 0 0 0 2 46 1 0 0 0 0 3 4 1 0 0 0 0 3 32 1 0 0 0 0 4 5 2 0 0 0 0 4 29 1 0 0 0 0 5 6 1 0 0 0 0 5 47 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 48 1 0 0 0 0 9 10 2 0 0 0 0 9 49 1 0 0 0 0 10 11 1 0 0 0 0 10 16 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 12 50 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 15 21 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 27 1 0 0 0 0 20 21 1 0 0 0 0 20 25 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 24 25 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 25 26 2 0 0 0 0 27 28 2 0 0 0 0 27 63 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 31 32 2 0 0 0 0 31 37 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 57 1 0 0 0 0 33 58 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 34 43 1 0 0 0 0 36 37 1 0 0 0 0 36 41 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 0 0 0 0 39 40 1 0 0 0 0 39 59 1 0 0 0 0 39 60 1 0 0 0 0 40 41 1 0 0 0 0 40 61 1 0 0 0 0 40 62 1 0 0 0 0 41 42 2 0 0 0 0 43 44 2 0 0 0 0 43 64 1 0 0 0 0 63 66 1 0 0 0 0 64 65 1 0 0 0 0 M END