HMDB0061164 RDKit 3D N-Trifluoroacetyladriamycin 73 77 0 0 0 0 0 0 0 0999 V2000 -4.2832 -5.7579 0.2555 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8455 -4.4152 0.4022 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8171 -3.4458 0.5949 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1581 -3.7336 0.6494 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0406 -2.7174 0.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6245 -1.4094 0.9861 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2966 -1.0958 0.9361 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3812 -2.1304 0.7372 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9426 -1.8453 0.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1486 -2.7825 0.4897 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4568 -0.4755 0.8037 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1046 -0.2299 0.7265 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1181 -1.1499 0.5380 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6996 1.1501 0.8604 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5900 2.1456 1.0506 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9551 1.8304 1.1227 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8482 2.8509 1.3204 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3801 0.5216 0.9987 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8398 0.2732 1.0765 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6274 1.2397 1.2597 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 3.5788 1.1871 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1886 3.7611 0.7319 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1679 3.3909 -0.6454 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6932 5.1369 0.8080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9371 5.7698 -0.2070 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9409 5.8571 2.0937 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6523 5.0454 3.1785 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0775 2.7313 1.4019 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7478 1.3806 0.7794 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3057 1.2788 -0.4816 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3461 0.3532 -0.4642 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2904 -0.6815 -1.5315 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6361 -0.7770 -2.2099 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7102 -1.9399 -3.0741 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0704 -1.9213 -4.4336 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3615 -0.8129 -4.9669 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1260 -3.1305 -5.2809 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5356 -2.8203 -6.5520 F 0 0 0 0 0 0 0 0 0 0 0 0 2.8456 -3.6621 -5.3974 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0024 -4.0899 -4.7967 F 0 0 0 0 0 0 0 0 0 0 0 0 4.6937 -0.9044 -1.1038 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4248 -2.0857 -0.4272 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6404 0.3295 -0.2726 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7864 0.0639 1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5361 1.1218 -0.5576 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7299 -6.1344 1.1912 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0209 -5.8251 -0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4514 -6.4422 -0.0155 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4421 -4.7742 0.5339 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0920 -2.9200 0.8868 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3181 -0.5923 1.1405 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1990 -2.0995 0.4361 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5632 3.7945 1.4213 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8475 4.2472 0.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3241 3.8198 2.2643 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9303 3.8126 -1.1217 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0081 6.1608 2.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2560 6.7428 2.1345 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3501 5.0673 3.8565 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1464 2.9438 1.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8624 2.6749 2.4637 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2411 0.6480 1.4833 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4098 -0.0726 0.5722 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1365 -1.6774 -1.0315 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4695 -0.5255 -2.2624 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8121 0.1778 -2.7499 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4746 -2.8590 -2.6438 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7091 -1.0061 -1.5637 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6982 -2.0416 0.2037 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5277 0.9751 -0.5492 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7297 1.0346 1.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0635 -0.6356 1.6107 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8420 -0.2899 1.3694 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 2 0 12 13 1 0 12 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 16 18 2 0 18 19 1 0 19 20 2 0 15 21 1 0 21 22 1 0 22 23 1 6 22 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 22 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 2 0 35 37 1 0 37 38 1 0 37 39 1 0 37 40 1 0 33 41 1 0 41 42 1 0 41 43 1 0 43 44 1 0 43 45 1 0 8 3 1 0 18 11 1 0 45 31 1 0 19 7 1 0 29 14 1 0 1 46 1 0 1 47 1 0 1 48 1 0 4 49 1 0 5 50 1 0 6 51 1 0 13 52 1 0 17 53 1 0 21 54 1 0 21 55 1 0 23 56 1 0 26 57 1 0 26 58 1 0 27 59 1 0 28 60 1 0 28 61 1 0 29 62 1 1 31 63 1 1 32 64 1 0 32 65 1 0 33 66 1 6 34 67 1 0 41 68 1 6 42 69 1 0 43 70 1 6 44 71 1 0 44 72 1 0 44 73 1 0 M END