NCID-ZINC05852817 MOE2007 3D CORINA 3.40 0006 02.08.2006 79 81 0 0 0 0 0 0 0 0999 V2000 -0.0190 1.5260 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 0.7180 -0.4980 -1.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 -2.0270 -1.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4440 -2.5130 -2.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8850 -1.7180 -3.3000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5830 -3.8300 -2.7260 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2730 -4.2260 -3.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3300 -5.6880 -4.0150 N 0 3 0 0 0 0 0 0 0 0 0 0 1.3500 -6.3360 -4.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3640 -7.7120 -4.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4380 -8.4190 -4.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4560 -7.6900 -3.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3640 -6.3150 -3.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4960 -9.8930 -4.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4680 -10.7490 -3.9780 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9520 -12.0510 -4.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2540 -11.9590 -4.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5990 -10.6440 -4.5760 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0090 -10.4870 -4.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4180 -11.8350 -5.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4450 -12.8180 -4.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 -13.3250 -3.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5420 -13.6810 -5.2610 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2030 -14.8020 -5.2800 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3290 -15.4660 -4.2700 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8090 -15.1890 -6.4200 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6190 -16.4090 -6.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0380 -16.0870 -5.9700 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6690 -16.9630 -7.8670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0690 -10.3670 -3.5700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7500 -10.1900 -4.7560 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0370 -9.8440 -4.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4640 -9.6950 -3.4360 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8520 -9.6640 -5.6220 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2520 -9.2880 -5.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7750 -8.5590 -6.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0880 -10.5470 -5.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 1.9030 0.0030 H 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0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 39 1 0 0 0 0 1 40 1 0 0 0 0 1 41 1 0 0 0 0 2 3 1 0 0 0 0 2 42 1 0 0 0 0 2 43 1 0 0 0 0 3 4 1 0 0 0 0 3 44 1 0 0 0 0 3 45 1 0 0 0 0 4 5 1 0 0 0 0 4 46 1 0 0 0 0 4 47 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 48 1 0 0 0 0 8 49 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 50 1 0 0 0 0 11 12 1 0 0 0 0 11 51 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 52 1 0 0 0 0 14 53 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 16 17 1 0 0 0 0 16 31 1 0 0 0 0 17 18 2 0 0 0 0 17 23 1 0 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 21 22 1 0 0 0 0 21 56 1 0 0 0 0 21 57 1 0 0 0 0 22 58 1 0 0 0 0 22 59 1 0 0 0 0 23 24 1 0 0 0 0 23 60 1 0 0 0 0 23 61 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 62 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 63 1 0 0 0 0 29 64 1 0 0 0 0 29 65 1 0 0 0 0 29 66 1 0 0 0 0 30 67 1 0 0 0 0 30 68 1 0 0 0 0 30 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