HMDB0246415 RDKit 3D Epitetracycline 56 59 0 0 0 0 0 0 0 0999 V2000 -4.3861 -2.2256 0.2018 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0464 -1.8681 0.6579 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2840 -3.0390 0.7049 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6509 -0.6969 0.0381 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6344 0.3657 0.4949 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7277 0.0745 1.0504 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3668 1.7846 0.3149 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3630 2.7984 0.6297 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1323 4.1861 0.4615 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4849 2.3943 1.0746 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1961 2.1861 -0.1476 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9019 3.5322 -0.3329 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1869 1.2055 -0.4729 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1236 0.9308 -1.8640 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1610 1.8019 -0.1706 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2953 3.0397 -0.0018 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3446 0.9105 -0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5311 1.3848 -0.3905 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6370 2.7121 -0.7983 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6996 0.5320 -0.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9600 1.0346 -0.6166 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1969 2.3069 -1.0110 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0549 0.1679 -0.4987 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8804 -1.1220 -0.1064 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6214 -1.5975 0.1808 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5194 -0.7647 0.0725 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2218 -1.3675 0.3597 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3008 -2.1176 1.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9084 -2.3566 -0.6052 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0671 -0.4485 0.4206 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1622 -0.9139 -0.3493 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3151 -0.1378 0.2125 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7521 -1.5635 -0.6081 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3905 -3.2520 -0.2302 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0588 -2.2655 1.0829 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0222 -3.4979 -0.2852 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4222 -3.0483 1.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9633 -3.8368 1.1515 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8568 -0.7776 -1.0709 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5906 4.6678 -0.3468 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5407 4.7550 1.0869 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7522 3.9186 -1.2670 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0134 0.8251 -2.2425 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0484 3.0583 -1.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6406 3.0581 -1.1621 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0514 0.5600 -0.7318 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7654 -1.7476 -0.0333 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5183 -2.6312 0.4902 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4501 -1.8607 2.3563 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2303 -1.8182 2.2422 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2948 -3.2126 1.5621 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4880 -3.1352 -0.1728 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6948 -0.3294 1.4887 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0593 -0.6335 -1.4227 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1843 -1.9800 -0.3095 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1317 0.0543 1.3042 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 8 10 2 0 7 11 2 0 11 12 1 0 11 13 1 0 13 14 1 0 13 15 1 0 15 16 2 0 15 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 20 21 2 0 21 22 1 0 21 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 1 0 27 29 1 0 27 30 1 0 30 31 1 0 31 32 1 0 32 4 1 0 32 13 1 0 30 17 1 0 26 20 1 0 1 33 1 0 1 34 1 0 1 35 1 0 3 36 1 0 3 37 1 0 3 38 1 0 4 39 1 0 9 40 1 0 9 41 1 0 12 42 1 0 14 43 1 0 19 44 1 0 22 45 1 0 23 46 1 0 24 47 1 0 25 48 1 0 28 49 1 0 28 50 1 0 28 51 1 0 29 52 1 0 30 53 1 0 31 54 1 0 31 55 1 0 32 56 1 0 M END