IBS-ZINC04025880 MOE2007 3D CORINA 3.40 0006 02.08.2006 62 62 0 0 1 0 0 0 0 0999 V2000 1.1470 2.5490 -0.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6570 1.1230 -0.6220 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2320 0.6800 -1.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8270 0.2820 0.6450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1140 -1.0300 0.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7910 -1.2650 -0.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2480 -0.2610 -1.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8300 1.1490 -0.9970 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.4200 1.4610 -0.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0520 2.1220 -2.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4860 2.2350 -2.4330 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3100 3.1670 -1.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4400 4.4860 -2.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3010 5.4600 -1.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1830 6.5410 -3.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0410 7.7630 -1.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0470 1.4800 -3.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3880 0.6380 -3.9700 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4940 1.6820 -3.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4770 -2.1440 1.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6990 -2.8920 0.9070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0610 -4.0060 1.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.2520 1.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5550 -5.5720 0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3730 -6.3650 2.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2020 2.5260 -0.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0180 3.1470 -1.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5700 2.9890 0.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8870 0.1000 0.8180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4120 0.8230 1.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2460 -2.2440 -0.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7990 -0.4950 -2.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3340 -0.3050 -1.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6550 3.1020 -1.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5380 1.7530 -3.0440 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2990 2.7370 -1.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8400 3.3520 -0.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4510 4.9170 -2.5780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9100 4.3020 -3.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2900 5.0300 -1.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8320 5.6450 -0.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1820 6.1720 -3.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6680 5.8190 -4.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2610 7.4940 -4.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4230 7.9300 -0.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0350 7.4390 -1.2020 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1220 8.6900 -2.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5750 2.4900 -4.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8910 0.7640 -4.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0640 1.9400 -2.8740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7070 -1.7260 2.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3620 -2.8340 1.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4690 -3.3100 -0.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5380 -2.2020 0.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3720 -3.7760 2.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4060 -5.4990 -0.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1520 -6.5850 0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7840 -4.8660 -0.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6670 -5.9430 3.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5180 -7.0260 2.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2060 -6.9320 1.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4260 6.7270 -2.3510 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 8 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 2 0 0 0 0 5 20 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 14 62 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 15 62 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 16 62 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 21 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 21 22 1 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 22 23 2 0 0 0 0 22 55 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 56 1 0 0 0 0 24 57 1 0 0 0 0 24 58 1 0 0 0 0 25 59 1 0 0 0 0 25 60 1 0 0 0 0 25 61 1 0 0 0 0 M END