HMDB0041990 RDKit 3D Piritramide 66 69 0 0 0 0 0 0 0 0999 V2000 3.4317 2.3322 -2.0329 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4394 1.3967 -1.3529 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4450 0.1853 -0.4961 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0333 -0.2795 -0.3651 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1343 0.7720 0.2618 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1875 0.2590 0.3571 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8133 0.0906 -0.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0687 0.8807 -1.1144 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0933 0.7795 -0.0317 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5954 2.1696 0.2279 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5272 2.7807 1.3246 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1856 2.8118 -0.8698 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2272 0.0125 -0.4045 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1038 -1.3269 -0.7168 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0873 -2.2626 -0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0097 -1.5321 0.8922 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5855 -0.3751 0.1321 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4931 0.5913 -0.1949 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4280 0.3093 1.2348 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0427 0.9702 1.2896 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0291 0.5793 0.7970 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0491 1.5092 0.8461 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5726 1.8447 2.0674 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1065 1.2780 3.2404 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0934 0.3552 3.1836 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5625 0.0150 1.9463 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2393 -0.8669 -1.1876 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3886 -2.1277 -0.6753 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1336 -3.0535 -1.3568 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7421 -2.7422 -2.5578 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6012 -1.4785 -3.0862 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8478 -0.5624 -2.3848 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6122 -0.5578 -1.3763 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0251 -1.2373 0.1938 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5458 1.1797 1.1854 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1262 1.6430 -0.4590 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9198 -1.0000 -1.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0914 0.4611 -1.6828 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4613 0.5994 -2.1153 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7301 1.9512 -1.2565 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1534 2.5237 2.2333 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8760 2.6350 -1.8154 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1676 -1.4574 -1.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0984 -1.7153 -0.4547 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7277 -2.7255 -0.8382 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6100 -3.0808 0.5061 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4663 -1.1231 1.7635 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7623 -2.2506 1.2542 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3753 0.0922 0.7325 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0685 -0.8003 -0.7867 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8005 1.1427 -1.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4285 1.3338 0.6309 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3201 -0.7956 1.1728 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9947 0.5311 2.1339 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6225 0.8131 2.3027 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1585 2.0243 1.0245 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3976 1.9400 -0.0884 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3727 2.5693 2.1412 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5018 1.5257 4.2134 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7323 -0.0838 4.0853 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7608 -0.7277 1.9995 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9200 -2.3898 0.2637 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2692 -4.0812 -0.9633 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3385 -3.4789 -3.1054 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0835 -1.2247 -4.0425 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7457 0.4490 -2.8244 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 3 10 12 1 0 9 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 9 19 1 0 19 20 1 0 3 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 3 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 2 0 20 6 1 0 26 21 1 0 32 27 1 0 18 13 1 0 4 33 1 0 4 34 1 0 5 35 1 0 5 36 1 0 7 37 1 0 7 38 1 0 8 39 1 0 8 40 1 0 11 41 1 0 12 42 1 0 14 43 1 0 14 44 1 0 15 45 1 0 15 46 1 0 16 47 1 0 16 48 1 0 17 49 1 0 17 50 1 0 18 51 1 0 18 52 1 0 19 53 1 0 19 54 1 0 20 55 1 0 20 56 1 0 22 57 1 0 23 58 1 0 24 59 1 0 25 60 1 0 26 61 1 0 28 62 1 0 29 63 1 0 30 64 1 0 31 65 1 0 32 66 1 0 M END