HMDB0248358 RDKit 3D Amperozide 58 60 0 0 0 0 0 0 0 0999 V2000 7.7123 -2.4669 0.2626 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1732 -1.2909 1.0486 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0474 -0.7182 0.3507 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9060 -1.5201 0.0935 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9384 -2.7282 0.5015 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7875 -0.9942 -0.5857 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6290 -1.7975 -0.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4620 -1.0813 -0.1699 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4280 0.2717 -0.5682 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1990 0.9638 -0.4883 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8551 0.5192 -1.4392 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1360 1.3065 -1.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7441 1.1936 0.0621 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0899 -0.1945 0.4374 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9422 -0.6461 1.7326 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2546 -1.9254 2.1237 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7443 -2.8242 1.1869 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0572 -4.0942 1.5648 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.9008 -2.3905 -0.1254 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5788 -1.1022 -0.4867 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9889 2.0026 0.1656 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9383 2.0838 -0.8294 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0929 2.8325 -0.7385 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3250 3.5505 0.4159 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4560 4.2972 0.5305 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.3953 3.4978 1.4437 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2571 2.7425 1.3201 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3901 0.7232 -1.5018 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7955 0.3735 -1.0227 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8022 -2.4644 0.3586 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3543 -2.3616 -0.7879 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2536 -3.4360 0.6145 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9608 -0.5104 1.1049 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8822 -1.6336 2.0844 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0465 0.2934 0.0211 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4610 -1.7962 -1.9517 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7524 -2.8290 -0.4739 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7293 -1.1003 0.9285 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5201 -1.6380 -0.2484 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3853 2.0448 -0.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1759 0.8514 0.5679 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5148 0.6294 -2.4825 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1110 -0.5620 -1.3154 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8763 1.0256 -2.0845 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8704 2.3721 -1.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0290 1.6042 0.8131 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5657 0.0056 2.5113 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1312 -2.2666 3.1559 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2908 -3.1296 -0.8393 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7081 -0.7966 -1.4974 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7959 1.5356 -1.7486 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8246 2.8806 -1.5344 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6255 4.0795 2.3289 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5474 2.7242 2.1454 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3655 1.8520 -1.4873 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2549 0.4153 -2.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5424 0.5405 -1.8139 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0444 1.0856 -0.2045 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 17 19 1 0 19 20 2 0 13 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 24 26 1 0 26 27 2 0 9 28 1 0 28 29 1 0 29 6 1 0 20 14 1 0 27 21 1 0 1 30 1 0 1 31 1 0 1 32 1 0 2 33 1 0 2 34 1 0 3 35 1 0 7 36 1 0 7 37 1 0 8 38 1 0 8 39 1 0 10 40 1 0 10 41 1 0 11 42 1 0 11 43 1 0 12 44 1 0 12 45 1 0 13 46 1 0 15 47 1 0 16 48 1 0 19 49 1 0 20 50 1 0 22 51 1 0 23 52 1 0 26 53 1 0 27 54 1 0 28 55 1 0 28 56 1 0 29 57 1 0 29 58 1 0 M END