PUBCHEM-ZINC04557007 MOE2007 3D CORINA 3.40 0006 02.08.2006 80 81 0 0 1 0 0 0 0 0999 V2000 1.2690 -0.4010 0.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5550 -0.2510 -0.4000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1200 -1.2690 -1.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9430 -0.4980 -0.2130 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.3160 0.1270 0.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6720 -0.1540 -1.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7790 -0.9830 -2.3660 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2040 1.0730 -1.6490 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7430 1.4450 -2.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7820 2.7830 -3.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3140 3.1460 -4.4760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8080 2.1790 -5.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7710 0.8460 -4.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2350 0.4750 -3.7500 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3790 2.5720 -6.6390 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.4120 3.7460 -6.9610 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8140 1.7210 -7.3940 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.1690 -1.9080 0.1130 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0720 -2.3280 1.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7970 -1.5380 2.2690 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3040 -3.7780 1.7260 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.3080 -4.0730 1.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2590 -4.6580 1.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0670 -5.7460 2.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0190 -4.9350 3.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1350 -3.9900 3.1720 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8740 -3.4160 4.1410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7690 -2.6510 3.8490 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5900 -3.7250 5.5880 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.7120 -4.7940 5.7620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1560 -3.3140 5.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5240 -2.9820 6.4390 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8200 -3.4380 7.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3140 -4.4620 8.0780 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7800 -2.6740 8.5470 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.3920 -1.6700 8.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1400 -2.5790 7.8510 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9340 -3.3690 9.8270 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3050 -2.6830 10.9260 C 0 0 0 0 0 0 0 0 0 0 0 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0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 47 1 0 0 0 0 1 48 1 0 0 0 0 1 49 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 50 1 0 0 0 0 3 51 1 0 0 0 0 3 52 1 0 0 0 0 3 53 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 18 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 54 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 55 1 0 0 0 0 11 12 1 0 0 0 0 11 56 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 57 1 0 0 0 0 14 58 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 18 19 1 0 0 0 0 18 59 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 26 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 24 62 1 0 0 0 0 24 63 1 0 0 0 0 25 26 1 0 0 0 0 25 64 1 0 0 0 0 25 65 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 31 66 1 0 0 0 0 31 67 1 0 0 0 0 31 68 1 0 0 0 0 32 33 1 0 0 0 0 32 69 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 35 38 1 0 0 0 0 37 70 1 0 0 0 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