OTAVA-ZINC04744797 MOE2007 3D CORINA 3.40 0006 02.08.2006 62 64 0 0 1 0 0 0 0 0999 V2000 -0.0190 1.5290 0.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0020 -0.0040 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7400 -0.5110 1.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1390 -0.3640 2.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4100 -1.1890 2.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1750 -0.6880 1.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2750 -1.7250 0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8790 0.6300 1.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0980 -0.2570 4.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8750 -0.8150 6.0840 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9360 -0.5940 5.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3650 -0.1680 7.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1670 -0.6000 8.4730 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8440 -0.1140 9.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5840 -0.4950 10.8120 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2590 -0.0030 12.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1870 0.8770 12.2020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5530 1.2570 11.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2200 0.7660 9.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1650 1.4080 13.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2360 2.2870 13.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5590 2.7780 14.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8220 2.3980 16.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2420 1.5250 15.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5700 1.0240 14.6620 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6890 -2.2300 6.1550 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8140 -0.4430 -1.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9060 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 1.8900 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5290 1.8810 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0010 -1.5630 1.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6590 0.0640 1.3750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3870 0.6800 2.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1410 -2.2380 2.1310 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0430 -1.1050 3.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9440 -1.8190 1.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8420 -1.3970 -0.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8140 -2.6910 0.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1380 1.3730 1.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4250 0.9880 0.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5760 0.4680 2.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9630 -0.4780 5.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2400 0.8220 4.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4250 0.9170 7.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6710 -0.4610 7.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4140 -1.1770 10.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8340 -0.2990 12.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3840 1.9380 11.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7910 1.0630 8.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8120 2.5850 12.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3890 3.4600 15.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0780 2.7850 17.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8140 1.2320 16.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3990 0.3390 14.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2340 -2.5000 6.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8270 -0.0460 -1.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8520 -1.5320 -1.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3360 -0.0610 -2.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3360 -0.5440 -0.1190 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8360 -0.1670 -0.9100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5880 -0.8780 3.6530 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5260 -1.8840 3.7040 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 2 59 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 4 61 1 0 0 0 0 5 6 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 59 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 7 38 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 8 41 1 0 0 0 0 9 10 1 0 0 0 0 9 42 1 0 0 0 0 9 43 1 0 0 0 0 9 61 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 26 1 0 0 0 0 12 13 1 0 0 0 0 12 44 1 0 0 0 0 12 45 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 46 1 0 0 0 0 16 17 1 0 0 0 0 16 47 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 48 1 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 50 1 0 0 0 0 22 23 1 0 0 0 0 22 51 1 0 0 0 0 23 24 2 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 24 53 1 0 0 0 0 25 54 1 0 0 0 0 26 55 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 59 60 1 0 0 0 0 61 62 1 0 0 0 0 M END