ENAMINE-ZINC05902995 MOE2007 3D Structure written by MMmdl. 49 53 0 0 0 0 0 0 0 0999 V2000 3.2210 3.9400 1.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4560 3.6850 0.1730 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2740 3.0170 0.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5860 2.7570 -0.8560 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6390 2.0860 -0.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1950 1.6760 0.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5020 1.9230 1.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7270 2.5940 1.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4960 1.0230 0.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6920 1.4280 1.0360 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6350 0.4500 0.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9650 -0.4520 -0.0120 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3270 -1.3080 -0.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6870 -0.1280 -0.2630 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.0450 0.2880 1.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4940 -0.8870 1.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8480 -1.0580 2.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7620 -0.0450 1.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3290 1.1350 1.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9730 1.2950 0.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1850 -0.2220 2.0740 N 0 3 0 0 0 0 0 0 0 0 0 0 -10.9300 0.7590 1.9350 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.5530 -1.3370 2.4700 O 0 5 0 0 0 0 0 0 0 0 0 0 -3.8690 2.6190 1.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1950 3.7600 1.6620 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4670 3.9360 0.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6440 4.6820 2.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2600 5.9930 2.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9460 6.6380 3.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9580 5.9890 4.6160 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3350 4.6640 4.3530 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6470 4.0390 3.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6780 4.5940 2.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5180 3.0060 1.8330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1340 4.4620 1.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0110 3.0750 -1.8050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 1.8870 -1.7790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8980 1.5890 2.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2330 2.7630 2.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7970 -1.6850 1.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1640 -1.9810 2.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0270 1.9300 0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6580 2.2090 0.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4820 6.4800 2.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6910 7.6690 4.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4570 6.5370 5.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1090 4.1560 4.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7460 2.7680 2.7970 N 0 3 0 0 0 0 0 0 0 0 0 0 -5.3820 2.0450 3.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 38 1 0 0 0 0 8 39 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 24 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 17 18 2 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 19 20 2 0 0 0 0 19 42 1 0 0 0 0 20 43 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 24 25 1 0 0 0 0 24 48 2 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 28 44 1 0 0 0 0 29 30 1 0 0 0 0 29 45 1 0 0 0 0 30 31 2 0 0 0 0 30 46 1 0 0 0 0 31 32 1 0 0 0 0 31 47 1 0 0 0 0 32 48 1 0 0 0 0 48 49 1 0 0 0 0 M CHG 1 21 1 M CHG 1 23 -1 M CHG 1 48 1 M END